USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=29 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+ -128:sc= 1.15 (180deg=0.219) USER MOD Set 1.2: A 77 TYR OH : rot -135:sc= 2.12 USER MOD Set 1.3: A 666 TYR OH : rot 180:sc= 0.203 USER MOD Set 2.1: A 50 CYS SG : rot 151:sc= 1.22 USER MOD Set 2.2: A 53 CYS SG : rot -50:sc= 0.0932 USER MOD Set 2.3: A 73 CYS SG : rot -133:sc= -2.01! USER MOD Set 3.1: A 23 CYS SG : rot 152:sc= 0.425 USER MOD Set 3.2: A 26 CYS SG : rot -42:sc= 2.11 USER MOD Set 3.3: A 44 HIS : no HE2:sc= -2.04 K(o=-1.2,f=-6.9!) USER MOD Set 3.4: A 47 CYS SG : rot 126:sc= 0.309 USER MOD Set 3.5: A 49 LYS NZ :NH3+ -138:sc= -2.02! (180deg=-5.3!) 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 37 TYR OH : rot 132:sc= 0.0433 USER MOD Single : A 39 MET CE :methyl -122:sc= -0.254 (180deg=-1.52) USER MOD Single : A 41 SER OG : rot -66:sc= 1.19 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 108:sc= 1.41 USER MOD Single : A 51 SER OG : rot 70:sc= 0.0623 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.0124 X(o=0.012,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.642 X(o=-0.64,f=-1.1) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : A 63 SER OG : rot 180:sc= 0.106 USER MOD Single : A 64 SER OG : rot 77:sc= 1.53 USER MOD Single : A 65 TYR OH : rot 165:sc= -0.0705 USER MOD Single : A 66 THR OG1 : rot 42:sc= 1.23 USER MOD Single : A 68 SER OG : rot 126:sc= 0.976 USER MOD Single : A 70 MET CE :methyl 163:sc= 0 (180deg=-0.529) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 664 SER OG : rot 92:sc= 0.0919 USER MOD Single : A 665 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.36) USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 668 MET CE :methyl 161:sc= -2.47! (180deg=-3.63!) USER MOD Single : A 671 THR OG1 : rot -57:sc= 0.0232 USER MOD Single : A 675 THR OG1 : rot -165:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 14.006 -2.362 -5.667 1.00 0.00 N ATOM 327 CA LEU A 663 12.749 -2.456 -4.936 1.00 0.00 C ATOM 328 C LEU A 663 11.574 -2.150 -5.860 1.00 0.00 C ATOM 329 O LEU A 663 10.416 -2.388 -5.515 1.00 0.00 O ATOM 330 CB LEU A 663 12.748 -1.480 -3.752 1.00 0.00 C ATOM 331 CG LEU A 663 13.279 -2.025 -2.413 1.00 0.00 C ATOM 332 CD1 LEU A 663 12.251 -1.809 -1.311 1.00 0.00 C ATOM 333 CD2 LEU A 663 13.649 -3.500 -2.512 1.00 0.00 C ATOM 0 HA LEU A 663 12.645 -3.473 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 663 13.344 -0.610 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.727 -1.131 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 663 14.187 -1.474 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 663 12.639 -2.199 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 663 12.048 -0.743 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 663 11.328 -2.330 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 663 14.019 -3.848 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 663 12.768 -4.078 -2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 663 14.424 -3.631 -3.267 1.00 0.00 H new ATOM 345 N SER A 664 11.883 -1.651 -7.051 1.00 0.00 N ATOM 346 CA SER A 664 10.863 -1.196 -7.990 1.00 0.00 C ATOM 347 C SER A 664 10.036 -2.366 -8.514 1.00 0.00 C ATOM 348 O SER A 664 8.830 -2.242 -8.736 1.00 0.00 O ATOM 349 CB SER A 664 11.529 -0.446 -9.147 1.00 0.00 C ATOM 350 OG SER A 664 12.839 -0.040 -8.786 1.00 0.00 O ATOM 0 H SER A 664 12.839 -1.551 -7.392 1.00 0.00 H new ATOM 0 HA SER A 664 10.185 -0.521 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 664 11.570 -1.087 -10.028 1.00 0.00 H new ATOM 0 HB3 SER A 664 10.932 0.426 -9.415 1.00 0.00 H new ATOM 0 HG SER A 664 13.481 -0.731 -9.053 1.00 0.00 H new ATOM 356 N GLN A 665 10.688 -3.508 -8.681 1.00 0.00 N ATOM 357 CA GLN A 665 10.022 -4.711 -9.167 1.00 0.00 C ATOM 358 C GLN A 665 8.948 -5.182 -8.186 1.00 0.00 C ATOM 359 O GLN A 665 7.994 -5.860 -8.572 1.00 0.00 O ATOM 360 CB GLN A 665 11.047 -5.829 -9.383 1.00 0.00 C ATOM 361 CG GLN A 665 11.170 -6.276 -10.830 1.00 0.00 C ATOM 362 CD GLN A 665 11.249 -5.117 -11.803 1.00 0.00 C ATOM 363 OE1 GLN A 665 10.448 -5.015 -12.732 1.00 0.00 O ATOM 364 NE2 GLN A 665 12.216 -4.239 -11.608 1.00 0.00 N ATOM 0 H GLN A 665 11.682 -3.628 -8.486 1.00 0.00 H new ATOM 0 HA GLN A 665 9.541 -4.469 -10.115 1.00 0.00 H new ATOM 0 HB2 GLN A 665 12.022 -5.488 -9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 665 10.770 -6.687 -8.770 1.00 0.00 H new ATOM 0 HG2 GLN A 665 12.060 -6.896 -10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 665 10.314 -6.900 -11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 665 12.861 -4.356 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 665 12.317 -3.444 -12.238 1.00 0.00 H new ATOM 373 N TYR A 666 9.101 -4.800 -6.923 1.00 0.00 N ATOM 374 CA TYR A 666 8.211 -5.262 -5.864 1.00 0.00 C ATOM 375 C TYR A 666 7.157 -4.215 -5.516 1.00 0.00 C ATOM 376 O TYR A 666 6.417 -4.365 -4.542 1.00 0.00 O ATOM 377 CB TYR A 666 9.027 -5.622 -4.621 1.00 0.00 C ATOM 378 CG TYR A 666 10.004 -6.750 -4.854 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.565 -8.065 -4.952 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.366 -6.501 -4.975 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.452 -9.099 -5.166 1.00 0.00 C ATOM 382 CE2 TYR A 666 12.262 -7.532 -5.190 1.00 0.00 C ATOM 383 CZ TYR A 666 11.799 -8.829 -5.282 1.00 0.00 C ATOM 384 OH TYR A 666 12.684 -9.862 -5.492 1.00 0.00 O ATOM 0 H TYR A 666 9.837 -4.168 -6.606 1.00 0.00 H new ATOM 0 HA TYR A 666 7.689 -6.147 -6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.574 -4.741 -4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.347 -5.900 -3.816 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.511 -8.281 -4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.730 -5.487 -4.900 1.00 0.00 H new ATOM 0 HE1 TYR A 666 10.093 -10.115 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 666 13.317 -7.324 -5.285 1.00 0.00 H new ATOM 0 HH TYR A 666 13.595 -9.505 -5.552 1.00 0.00 H new ATOM 394 N LYS A 667 7.089 -3.156 -6.310 1.00 0.00 N ATOM 395 CA LYS A 667 6.111 -2.105 -6.079 1.00 0.00 C ATOM 396 C LYS A 667 4.751 -2.499 -6.645 1.00 0.00 C ATOM 397 O LYS A 667 4.628 -2.810 -7.832 1.00 0.00 O ATOM 398 CB LYS A 667 6.568 -0.797 -6.717 1.00 0.00 C ATOM 399 CG LYS A 667 7.159 0.194 -5.731 1.00 0.00 C ATOM 400 CD LYS A 667 8.478 0.761 -6.233 1.00 0.00 C ATOM 401 CE LYS A 667 8.583 2.250 -5.961 1.00 0.00 C ATOM 402 NZ LYS A 667 9.596 2.906 -6.830 1.00 0.00 N ATOM 0 H LYS A 667 7.696 -3.003 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 667 6.020 -1.965 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 667 7.310 -1.018 -7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 667 5.719 -0.333 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 667 6.453 1.007 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 667 7.315 -0.296 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 667 9.306 0.242 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 667 8.570 0.578 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 667 7.611 2.717 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 667 8.845 2.410 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 9.635 3.922 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 10.529 2.479 -6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 9.333 2.777 -7.828 1.00 0.00 H new ATOM 416 N MET A 668 3.738 -2.485 -5.791 1.00 0.00 N ATOM 417 CA MET A 668 2.380 -2.816 -6.205 1.00 0.00 C ATOM 418 C MET A 668 1.634 -1.561 -6.646 1.00 0.00 C ATOM 419 O MET A 668 1.943 -0.452 -6.205 1.00 0.00 O ATOM 420 CB MET A 668 1.621 -3.509 -5.066 1.00 0.00 C ATOM 421 CG MET A 668 1.298 -2.594 -3.896 1.00 0.00 C ATOM 422 SD MET A 668 0.759 -3.499 -2.430 1.00 0.00 S ATOM 423 CE MET A 668 2.024 -4.764 -2.321 1.00 0.00 C ATOM 0 H MET A 668 3.830 -2.247 -4.803 1.00 0.00 H new ATOM 0 HA MET A 668 2.440 -3.502 -7.050 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.692 -3.921 -5.460 1.00 0.00 H new ATOM 0 HB3 MET A 668 2.215 -4.349 -4.705 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.180 -2.003 -3.649 1.00 0.00 H new ATOM 0 HG3 MET A 668 0.517 -1.894 -4.193 1.00 0.00 H new ATOM 0 HE1 MET A 668 2.036 -5.181 -1.314 1.00 0.00 H new ATOM 0 HE2 MET A 668 1.810 -5.556 -3.039 1.00 0.00 H new ATOM 0 HE3 MET A 668 2.997 -4.326 -2.543 1.00 0.00 H new ATOM 433 N ASP A 669 0.657 -1.734 -7.521 1.00 0.00 N ATOM 434 CA ASP A 669 -0.130 -0.610 -8.009 1.00 0.00 C ATOM 435 C ASP A 669 -1.458 -0.524 -7.271 1.00 0.00 C ATOM 436 O ASP A 669 -2.317 -1.396 -7.408 1.00 0.00 O ATOM 437 CB ASP A 669 -0.380 -0.723 -9.514 1.00 0.00 C ATOM 438 CG ASP A 669 -1.132 0.474 -10.055 1.00 0.00 C ATOM 439 OD1 ASP A 669 -0.648 1.617 -9.891 1.00 0.00 O ATOM 440 OD2 ASP A 669 -2.214 0.285 -10.643 1.00 0.00 O ATOM 0 H ASP A 669 0.389 -2.639 -7.908 1.00 0.00 H new ATOM 0 HA ASP A 669 0.441 0.299 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.573 -0.817 -10.034 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.947 -1.631 -9.720 1.00 0.00 H new ATOM 445 N VAL A 670 -1.619 0.534 -6.491 1.00 0.00 N ATOM 446 CA VAL A 670 -2.830 0.731 -5.711 1.00 0.00 C ATOM 447 C VAL A 670 -3.905 1.403 -6.558 1.00 0.00 C ATOM 448 O VAL A 670 -3.935 2.628 -6.691 1.00 0.00 O ATOM 449 CB VAL A 670 -2.567 1.589 -4.451 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.632 1.335 -3.395 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.177 1.321 -3.885 1.00 0.00 C ATOM 0 H VAL A 670 -0.923 1.272 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 670 -3.171 -0.254 -5.393 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.616 2.638 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.428 1.948 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.612 1.592 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -3.620 0.282 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.019 1.938 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.091 0.269 -3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.425 1.565 -4.636 1.00 0.00 H new ATOM 461 N THR A 671 -4.773 0.595 -7.145 1.00 0.00 N ATOM 462 CA THR A 671 -5.875 1.105 -7.941 1.00 0.00 C ATOM 463 C THR A 671 -7.105 1.335 -7.070 1.00 0.00 C ATOM 464 O THR A 671 -7.708 0.387 -6.569 1.00 0.00 O ATOM 465 CB THR A 671 -6.225 0.134 -9.085 1.00 0.00 C ATOM 466 OG1 THR A 671 -5.040 -0.558 -9.511 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.832 0.880 -10.263 1.00 0.00 C ATOM 0 H THR A 671 -4.734 -0.422 -7.084 1.00 0.00 H new ATOM 0 HA THR A 671 -5.560 2.055 -8.372 1.00 0.00 H new ATOM 0 HB THR A 671 -6.958 -0.584 -8.716 1.00 0.00 H new ATOM 0 HG1 THR A 671 -4.362 0.094 -9.788 1.00 0.00 H new ATOM 0 HG21 THR A 671 -7.070 0.173 -11.058 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.742 1.387 -9.943 1.00 0.00 H new ATOM 0 HG23 THR A 671 -6.119 1.616 -10.634 1.00 0.00 H new ATOM 475 N VAL A 672 -7.451 2.598 -6.867 1.00 0.00 N ATOM 476 CA VAL A 672 -8.612 2.955 -6.061 1.00 0.00 C ATOM 477 C VAL A 672 -9.865 3.020 -6.927 1.00 0.00 C ATOM 478 O VAL A 672 -9.920 3.775 -7.900 1.00 0.00 O ATOM 479 CB VAL A 672 -8.425 4.311 -5.343 1.00 0.00 C ATOM 480 CG1 VAL A 672 -9.315 4.387 -4.111 1.00 0.00 C ATOM 481 CG2 VAL A 672 -6.964 4.538 -4.974 1.00 0.00 C ATOM 0 H VAL A 672 -6.943 3.395 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.722 2.178 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 672 -8.721 5.104 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -9.171 5.348 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.358 4.285 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -9.054 3.583 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -6.861 5.499 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.629 3.742 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -6.356 4.535 -5.878 1.00 0.00 H new ATOM 491 N ILE A 673 -10.862 2.227 -6.576 1.00 0.00 N ATOM 492 CA ILE A 673 -12.102 2.182 -7.334 1.00 0.00 C ATOM 493 C ILE A 673 -13.155 3.088 -6.704 1.00 0.00 C ATOM 494 O ILE A 673 -13.484 2.950 -5.525 1.00 0.00 O ATOM 495 CB ILE A 673 -12.646 0.739 -7.434 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.725 -0.121 -8.314 1.00 0.00 C ATOM 497 CG2 ILE A 673 -14.069 0.735 -7.985 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.741 -0.972 -7.532 1.00 0.00 C ATOM 0 H ILE A 673 -10.838 1.604 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 673 -11.883 2.539 -8.340 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.668 0.311 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -12.339 -0.773 -8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -11.170 0.532 -8.987 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -14.432 -0.291 -8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.717 1.310 -7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -14.076 1.183 -8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -10.128 -1.549 -8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.100 -0.327 -6.931 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.287 -1.652 -6.878 1.00 0.00 H new ATOM 510 N ASP A 674 -13.662 4.025 -7.494 1.00 0.00 N ATOM 511 CA ASP A 674 -14.700 4.938 -7.034 1.00 0.00 C ATOM 512 C ASP A 674 -16.057 4.249 -7.076 1.00 0.00 C ATOM 513 O ASP A 674 -16.654 4.090 -8.144 1.00 0.00 O ATOM 514 CB ASP A 674 -14.736 6.205 -7.897 1.00 0.00 C ATOM 515 CG ASP A 674 -13.598 7.158 -7.593 1.00 0.00 C ATOM 516 OD1 ASP A 674 -12.521 7.021 -8.214 1.00 0.00 O ATOM 517 OD2 ASP A 674 -13.773 8.057 -6.743 1.00 0.00 O ATOM 0 H ASP A 674 -13.370 4.173 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 674 -14.471 5.225 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -14.696 5.923 -8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -15.685 6.718 -7.740 1.00 0.00 H new ATOM 522 N THR A 675 -16.530 3.823 -5.915 1.00 0.00 N ATOM 523 CA THR A 675 -17.810 3.142 -5.807 1.00 0.00 C ATOM 524 C THR A 675 -18.978 4.105 -6.018 1.00 0.00 C ATOM 525 O THR A 675 -19.190 5.027 -5.225 1.00 0.00 O ATOM 526 CB THR A 675 -17.944 2.477 -4.431 1.00 0.00 C ATOM 527 OG1 THR A 675 -16.677 2.513 -3.761 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.419 1.039 -4.566 1.00 0.00 C ATOM 0 H THR A 675 -16.041 3.939 -5.027 1.00 0.00 H new ATOM 0 HA THR A 675 -17.843 2.383 -6.589 1.00 0.00 H new ATOM 0 HB THR A 675 -18.685 3.025 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 675 -16.690 1.891 -3.004 1.00 0.00 H new ATOM 0 HG21 THR A 675 -18.506 0.590 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.391 1.022 -5.059 1.00 0.00 H new ATOM 0 HG23 THR A 675 -17.701 0.473 -5.160 1.00 0.00 H new ATOM 806 N TRP A 20 -21.687 -7.159 -3.723 1.00 0.00 N ATOM 807 CA TRP A 20 -20.816 -6.083 -4.196 1.00 0.00 C ATOM 808 C TRP A 20 -19.445 -6.628 -4.600 1.00 0.00 C ATOM 809 O TRP A 20 -19.327 -7.388 -5.564 1.00 0.00 O ATOM 810 CB TRP A 20 -20.662 -4.983 -3.129 1.00 0.00 C ATOM 811 CG TRP A 20 -21.900 -4.742 -2.316 1.00 0.00 C ATOM 812 CD1 TRP A 20 -23.162 -4.518 -2.786 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.992 -4.697 -0.885 1.00 0.00 C ATOM 814 NE1 TRP A 20 -24.033 -4.349 -1.737 1.00 0.00 N ATOM 815 CE2 TRP A 20 -23.338 -4.453 -0.560 1.00 0.00 C ATOM 816 CE3 TRP A 20 -21.064 -4.845 0.150 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.780 -4.351 0.759 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.504 -4.742 1.458 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.851 -4.502 1.751 1.00 0.00 C ATOM 0 HA TRP A 20 -21.285 -5.641 -5.075 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.847 -5.254 -2.458 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -20.376 -4.053 -3.620 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -23.436 -4.479 -3.830 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -25.034 -4.174 -1.820 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -20.023 -5.036 -0.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.818 -4.160 0.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.796 -4.849 2.266 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -23.164 -4.435 2.783 1.00 0.00 H new ATOM 830 N LYS A 21 -18.417 -6.249 -3.854 1.00 0.00 N ATOM 831 CA LYS A 21 -17.069 -6.723 -4.110 1.00 0.00 C ATOM 832 C LYS A 21 -16.542 -7.469 -2.895 1.00 0.00 C ATOM 833 O LYS A 21 -16.726 -7.028 -1.763 1.00 0.00 O ATOM 834 CB LYS A 21 -16.151 -5.550 -4.461 1.00 0.00 C ATOM 835 CG LYS A 21 -15.523 -5.659 -5.842 1.00 0.00 C ATOM 836 CD LYS A 21 -16.558 -6.000 -6.905 1.00 0.00 C ATOM 837 CE LYS A 21 -16.412 -5.121 -8.138 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.604 -5.201 -9.027 1.00 0.00 N ATOM 0 H LYS A 21 -18.494 -5.611 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.089 -7.407 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.722 -4.623 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.359 -5.484 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.037 -4.717 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.748 -6.425 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.454 -7.047 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.559 -5.880 -6.490 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.259 -4.087 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.524 -5.422 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.462 -4.587 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.736 -6.183 -9.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.448 -4.889 -8.505 1.00 0.00 H new ATOM 852 N ARG A 22 -15.899 -8.599 -3.138 1.00 0.00 N ATOM 853 CA ARG A 22 -15.405 -9.453 -2.063 1.00 0.00 C ATOM 854 C ARG A 22 -13.965 -9.101 -1.710 1.00 0.00 C ATOM 855 O ARG A 22 -13.180 -8.733 -2.584 1.00 0.00 O ATOM 856 CB ARG A 22 -15.496 -10.925 -2.479 1.00 0.00 C ATOM 857 CG ARG A 22 -15.057 -11.900 -1.397 1.00 0.00 C ATOM 858 CD ARG A 22 -16.246 -12.617 -0.784 1.00 0.00 C ATOM 859 NE ARG A 22 -15.847 -13.831 -0.075 1.00 0.00 N ATOM 860 CZ ARG A 22 -15.875 -15.052 -0.605 1.00 0.00 C ATOM 861 NH1 ARG A 22 -16.269 -15.237 -1.860 1.00 0.00 N ATOM 862 NH2 ARG A 22 -15.499 -16.091 0.123 1.00 0.00 N ATOM 0 H ARG A 22 -15.704 -8.951 -4.076 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.026 -9.289 -1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.525 -11.150 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.881 -11.080 -3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.368 -12.631 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.513 -11.363 -0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.758 -11.946 -0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.959 -12.873 -1.568 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.526 -13.737 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.554 -14.439 -2.428 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.286 -16.177 -2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.190 -15.954 1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.519 -17.029 -0.278 1.00 0.00 H new ATOM 876 N CYS A 23 -13.633 -9.210 -0.430 1.00 0.00 N ATOM 877 CA CYS A 23 -12.280 -8.969 0.036 1.00 0.00 C ATOM 878 C CYS A 23 -11.475 -10.267 0.031 1.00 0.00 C ATOM 879 O CYS A 23 -12.038 -11.359 0.127 1.00 0.00 O ATOM 880 CB CYS A 23 -12.295 -8.373 1.448 1.00 0.00 C ATOM 881 SG CYS A 23 -10.643 -8.231 2.199 1.00 0.00 S ATOM 0 H CYS A 23 -14.290 -9.466 0.307 1.00 0.00 H new ATOM 0 HA CYS A 23 -11.809 -8.257 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.754 -7.385 1.411 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.923 -8.993 2.088 1.00 0.00 H new ATOM 0 HG CYS A 23 -10.637 -7.250 3.052 1.00 0.00 H new ATOM 886 N ALA A 24 -10.163 -10.139 -0.079 1.00 0.00 N ATOM 887 CA ALA A 24 -9.274 -11.290 -0.027 1.00 0.00 C ATOM 888 C ALA A 24 -8.345 -11.194 1.180 1.00 0.00 C ATOM 889 O ALA A 24 -7.325 -11.883 1.258 1.00 0.00 O ATOM 890 CB ALA A 24 -8.473 -11.398 -1.314 1.00 0.00 C ATOM 0 H ALA A 24 -9.687 -9.246 -0.205 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.878 -12.191 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.813 -12.264 -1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.154 -11.513 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.877 -10.495 -1.449 1.00 0.00 H new ATOM 896 N GLY A 25 -8.708 -10.326 2.117 1.00 0.00 N ATOM 897 CA GLY A 25 -7.894 -10.107 3.295 1.00 0.00 C ATOM 898 C GLY A 25 -8.535 -10.623 4.572 1.00 0.00 C ATOM 899 O GLY A 25 -7.935 -11.427 5.284 1.00 0.00 O ATOM 0 H GLY A 25 -9.560 -9.766 2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.929 -10.596 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.699 -9.040 3.400 1.00 0.00 H new ATOM 903 N CYS A 26 -9.755 -10.185 4.867 1.00 0.00 N ATOM 904 CA CYS A 26 -10.391 -10.562 6.120 1.00 0.00 C ATOM 905 C CYS A 26 -11.288 -11.779 5.927 1.00 0.00 C ATOM 906 O CYS A 26 -10.819 -12.920 5.956 1.00 0.00 O ATOM 907 CB CYS A 26 -11.185 -9.391 6.734 1.00 0.00 C ATOM 908 SG CYS A 26 -12.246 -8.454 5.578 1.00 0.00 S ATOM 0 H CYS A 26 -10.313 -9.579 4.266 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.599 -10.824 6.821 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.811 -9.783 7.536 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.478 -8.698 7.191 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.607 -8.261 4.462 1.00 0.00 H new ATOM 913 N GLY A 27 -12.567 -11.532 5.715 1.00 0.00 N ATOM 914 CA GLY A 27 -13.508 -12.614 5.541 1.00 0.00 C ATOM 915 C GLY A 27 -14.896 -12.115 5.225 1.00 0.00 C ATOM 916 O GLY A 27 -15.766 -12.088 6.096 1.00 0.00 O ATOM 0 H GLY A 27 -12.973 -10.598 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.166 -13.265 4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.538 -13.217 6.449 1.00 0.00 H new ATOM 920 N GLY A 28 -15.101 -11.708 3.984 1.00 0.00 N ATOM 921 CA GLY A 28 -16.403 -11.237 3.566 1.00 0.00 C ATOM 922 C GLY A 28 -16.320 -10.295 2.390 1.00 0.00 C ATOM 923 O GLY A 28 -15.394 -10.380 1.581 1.00 0.00 O ATOM 0 H GLY A 28 -14.387 -11.695 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.028 -12.090 3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.889 -10.731 4.400 1.00 0.00 H new ATOM 927 N LYS A 29 -17.289 -9.399 2.289 1.00 0.00 N ATOM 928 CA LYS A 29 -17.305 -8.417 1.219 1.00 0.00 C ATOM 929 C LYS A 29 -16.794 -7.079 1.732 1.00 0.00 C ATOM 930 O LYS A 29 -16.819 -6.814 2.938 1.00 0.00 O ATOM 931 CB LYS A 29 -18.717 -8.266 0.641 1.00 0.00 C ATOM 932 CG LYS A 29 -19.784 -7.963 1.682 1.00 0.00 C ATOM 933 CD LYS A 29 -20.973 -8.902 1.548 1.00 0.00 C ATOM 934 CE LYS A 29 -22.241 -8.279 2.108 1.00 0.00 C ATOM 935 NZ LYS A 29 -23.457 -9.036 1.713 1.00 0.00 N ATOM 0 H LYS A 29 -18.075 -9.332 2.936 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.648 -8.763 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -18.711 -7.467 -0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -18.984 -9.184 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -19.357 -8.055 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -20.119 -6.932 1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -21.123 -9.153 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -20.762 -9.834 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -22.176 -8.240 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -22.325 -7.250 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.298 -8.576 2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.535 -9.052 0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -23.390 -10.011 2.070 1.00 0.00 H new ATOM 949 N ILE A 30 -16.323 -6.246 0.820 1.00 0.00 N ATOM 950 CA ILE A 30 -15.803 -4.937 1.172 1.00 0.00 C ATOM 951 C ILE A 30 -16.943 -3.996 1.537 1.00 0.00 C ATOM 952 O ILE A 30 -17.722 -3.581 0.676 1.00 0.00 O ATOM 953 CB ILE A 30 -14.977 -4.330 0.014 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.746 -5.194 -0.270 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.562 -2.899 0.337 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.353 -5.222 -1.730 1.00 0.00 C ATOM 0 H ILE A 30 -16.290 -6.456 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.147 -5.062 2.033 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.602 -4.309 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.907 -4.821 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.942 -6.213 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.982 -2.492 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.452 -2.288 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.955 -2.892 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.473 -5.853 -1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -14.176 -5.623 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.125 -4.210 -2.065 1.00 0.00 H new ATOM 968 N ALA A 31 -17.039 -3.667 2.815 1.00 0.00 N ATOM 969 CA ALA A 31 -18.068 -2.758 3.287 1.00 0.00 C ATOM 970 C ALA A 31 -17.465 -1.413 3.659 1.00 0.00 C ATOM 971 O ALA A 31 -18.129 -0.558 4.240 1.00 0.00 O ATOM 972 CB ALA A 31 -18.816 -3.359 4.468 1.00 0.00 C ATOM 0 H ALA A 31 -16.416 -4.016 3.543 1.00 0.00 H new ATOM 0 HA ALA A 31 -18.781 -2.600 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.582 -2.662 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.285 -4.294 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -18.117 -3.552 5.282 1.00 0.00 H new ATOM 978 N ASP A 32 -16.205 -1.229 3.292 1.00 0.00 N ATOM 979 CA ASP A 32 -15.494 0.022 3.558 1.00 0.00 C ATOM 980 C ASP A 32 -15.825 1.059 2.495 1.00 0.00 C ATOM 981 O ASP A 32 -15.178 2.105 2.408 1.00 0.00 O ATOM 982 CB ASP A 32 -13.982 -0.214 3.578 1.00 0.00 C ATOM 983 CG ASP A 32 -13.453 -0.511 4.964 1.00 0.00 C ATOM 984 OD1 ASP A 32 -13.894 -1.512 5.567 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.583 0.241 5.447 1.00 0.00 O ATOM 0 H ASP A 32 -15.648 -1.932 2.806 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.814 0.390 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.740 -1.045 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.476 0.667 3.182 1.00 0.00 H new ATOM 990 N ARG A 33 -16.840 0.746 1.692 1.00 0.00 N ATOM 991 CA ARG A 33 -17.272 1.576 0.571 1.00 0.00 C ATOM 992 C ARG A 33 -16.273 1.509 -0.578 1.00 0.00 C ATOM 993 O ARG A 33 -16.570 0.937 -1.627 1.00 0.00 O ATOM 994 CB ARG A 33 -17.509 3.033 0.996 1.00 0.00 C ATOM 995 CG ARG A 33 -17.892 3.945 -0.161 1.00 0.00 C ATOM 996 CD ARG A 33 -19.307 4.485 -0.020 1.00 0.00 C ATOM 997 NE ARG A 33 -20.190 3.562 0.690 1.00 0.00 N ATOM 998 CZ ARG A 33 -21.184 3.945 1.489 1.00 0.00 C ATOM 999 NH1 ARG A 33 -21.471 5.236 1.629 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -21.900 3.032 2.133 1.00 0.00 N ATOM 0 H ARG A 33 -17.393 -0.104 1.804 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.224 1.174 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -18.298 3.061 1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.605 3.418 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.190 4.777 -0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.806 3.396 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -19.278 5.436 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -19.716 4.685 -1.010 1.00 0.00 H new ATOM 0 HE ARG A 33 -20.035 2.562 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -20.929 5.937 1.123 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -22.233 5.525 2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -21.688 2.041 2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -22.662 3.321 2.746 1.00 0.00 H new ATOM 1014 N PHE A 34 -15.090 2.068 -0.374 1.00 0.00 N ATOM 1015 CA PHE A 34 -14.102 2.161 -1.438 1.00 0.00 C ATOM 1016 C PHE A 34 -13.145 0.982 -1.402 1.00 0.00 C ATOM 1017 O PHE A 34 -12.546 0.680 -0.368 1.00 0.00 O ATOM 1018 CB PHE A 34 -13.333 3.477 -1.339 1.00 0.00 C ATOM 1019 CG PHE A 34 -13.902 4.547 -2.222 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -15.247 4.868 -2.155 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -13.101 5.219 -3.128 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -15.785 5.837 -2.972 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -13.631 6.194 -3.947 1.00 0.00 C ATOM 1024 CZ PHE A 34 -14.977 6.504 -3.871 1.00 0.00 C ATOM 0 H PHE A 34 -14.791 2.464 0.517 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.630 2.136 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.342 3.822 -0.305 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.291 3.305 -1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.883 4.351 -1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.050 4.978 -3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.837 6.075 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.995 6.715 -4.647 1.00 0.00 H new ATOM 0 HZ PHE A 34 -15.395 7.266 -4.513 1.00 0.00 H new ATOM 1034 N LEU A 35 -13.023 0.311 -2.535 1.00 0.00 N ATOM 1035 CA LEU A 35 -12.135 -0.830 -2.657 1.00 0.00 C ATOM 1036 C LEU A 35 -10.838 -0.415 -3.334 1.00 0.00 C ATOM 1037 O LEU A 35 -10.826 0.475 -4.188 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.802 -1.965 -3.441 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.861 -1.537 -4.459 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -13.713 -2.332 -5.745 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -15.252 -1.727 -3.884 1.00 0.00 C ATOM 0 H LEU A 35 -13.532 0.540 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.912 -1.196 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.027 -2.524 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.264 -2.650 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.716 -0.480 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.474 -2.015 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.724 -2.158 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.835 -3.394 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -15.995 -1.418 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.402 -2.777 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.359 -1.122 -2.984 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.753 -1.062 -2.950 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.442 -0.743 -3.481 1.00 0.00 C ATOM 1055 C LEU A 36 -7.787 -1.982 -4.070 1.00 0.00 C ATOM 1056 O LEU A 36 -8.216 -3.108 -3.813 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.555 -0.150 -2.384 1.00 0.00 C ATOM 1058 CG LEU A 36 -8.007 1.206 -1.846 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.476 1.079 -0.404 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -6.881 2.222 -1.964 1.00 0.00 C ATOM 0 H LEU A 36 -9.756 -1.818 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.563 -0.005 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.510 -0.856 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.542 -0.050 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.848 1.557 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.794 2.055 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.313 0.382 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.658 0.709 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.217 3.184 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.021 1.880 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.598 2.331 -3.011 1.00 0.00 H new ATOM 1072 N TYR A 37 -6.753 -1.764 -4.859 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.007 -2.848 -5.475 1.00 0.00 C ATOM 1074 C TYR A 37 -4.575 -2.847 -4.973 1.00 0.00 C ATOM 1075 O TYR A 37 -4.037 -1.799 -4.625 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.017 -2.701 -6.995 1.00 0.00 C ATOM 1077 CG TYR A 37 -6.838 -3.747 -7.706 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -6.444 -5.078 -7.724 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -8.006 -3.398 -8.363 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -7.198 -6.034 -8.374 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -8.765 -4.344 -9.016 1.00 0.00 C ATOM 1082 CZ TYR A 37 -8.357 -5.664 -9.020 1.00 0.00 C ATOM 1083 OH TYR A 37 -9.116 -6.616 -9.665 1.00 0.00 O ATOM 0 H TYR A 37 -6.406 -0.834 -5.092 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.481 -3.792 -5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.403 -1.714 -7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.991 -2.748 -7.361 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.534 -5.370 -7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.327 -2.367 -8.363 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -6.881 -7.066 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.674 -4.055 -9.522 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.055 -6.518 -9.403 1.00 0.00 H new ATOM 1093 N ALA A 38 -3.973 -4.021 -4.923 1.00 0.00 N ATOM 1094 CA ALA A 38 -2.579 -4.145 -4.530 1.00 0.00 C ATOM 1095 C ALA A 38 -1.860 -5.115 -5.452 1.00 0.00 C ATOM 1096 O ALA A 38 -1.263 -4.714 -6.451 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.471 -4.599 -3.082 1.00 0.00 C ATOM 0 H ALA A 38 -4.428 -4.905 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.103 -3.168 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.420 -4.686 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.957 -3.869 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.958 -5.567 -2.967 1.00 0.00 H new ATOM 1103 N MET A 39 -1.924 -6.394 -5.116 1.00 0.00 N ATOM 1104 CA MET A 39 -1.330 -7.427 -5.944 1.00 0.00 C ATOM 1105 C MET A 39 -2.283 -7.814 -7.069 1.00 0.00 C ATOM 1106 O MET A 39 -2.141 -7.353 -8.198 1.00 0.00 O ATOM 1107 CB MET A 39 -0.983 -8.658 -5.100 1.00 0.00 C ATOM 1108 CG MET A 39 0.306 -8.513 -4.311 1.00 0.00 C ATOM 1109 SD MET A 39 0.054 -7.702 -2.718 1.00 0.00 S ATOM 1110 CE MET A 39 -0.616 -9.052 -1.748 1.00 0.00 C ATOM 0 H MET A 39 -2.383 -6.740 -4.273 1.00 0.00 H new ATOM 0 HA MET A 39 -0.411 -7.034 -6.380 1.00 0.00 H new ATOM 0 HB2 MET A 39 -1.802 -8.856 -4.408 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.902 -9.526 -5.755 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.741 -9.499 -4.148 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.024 -7.940 -4.897 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.596 -8.771 -1.362 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.714 -9.938 -2.376 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.054 -9.269 -0.916 1.00 0.00 H new ATOM 1120 N ASP A 40 -3.271 -8.640 -6.748 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.216 -9.131 -7.750 1.00 0.00 C ATOM 1122 C ASP A 40 -5.650 -9.122 -7.223 1.00 0.00 C ATOM 1123 O ASP A 40 -6.599 -9.356 -7.974 1.00 0.00 O ATOM 1124 CB ASP A 40 -3.835 -10.558 -8.171 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.416 -11.618 -7.250 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.278 -11.485 -6.014 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.021 -12.588 -7.755 1.00 0.00 O ATOM 0 H ASP A 40 -3.441 -8.985 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.166 -8.463 -8.610 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.183 -10.737 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.749 -10.650 -8.184 1.00 0.00 H new ATOM 1132 N SER A 41 -5.806 -8.832 -5.940 1.00 0.00 N ATOM 1133 CA SER A 41 -7.086 -9.002 -5.275 1.00 0.00 C ATOM 1134 C SER A 41 -7.706 -7.660 -4.893 1.00 0.00 C ATOM 1135 O SER A 41 -7.059 -6.618 -5.000 1.00 0.00 O ATOM 1136 CB SER A 41 -6.876 -9.867 -4.035 1.00 0.00 C ATOM 1137 OG SER A 41 -5.518 -10.283 -3.940 1.00 0.00 O ATOM 0 H SER A 41 -5.061 -8.478 -5.340 1.00 0.00 H new ATOM 0 HA SER A 41 -7.780 -9.488 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.154 -9.307 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.527 -10.740 -4.079 1.00 0.00 H new ATOM 0 HG SER A 41 -5.308 -10.887 -4.683 1.00 0.00 H new ATOM 1143 N TYR A 42 -8.963 -7.700 -4.463 1.00 0.00 N ATOM 1144 CA TYR A 42 -9.661 -6.508 -4.003 1.00 0.00 C ATOM 1145 C TYR A 42 -9.438 -6.323 -2.510 1.00 0.00 C ATOM 1146 O TYR A 42 -9.482 -7.287 -1.744 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.162 -6.619 -4.279 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.560 -6.305 -5.703 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.329 -5.050 -6.249 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.181 -7.262 -6.493 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.710 -4.757 -7.544 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.559 -6.978 -7.792 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.322 -5.723 -8.310 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.707 -5.432 -9.598 1.00 0.00 O ATOM 0 H TYR A 42 -9.521 -8.553 -4.424 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.265 -5.649 -4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -11.490 -7.630 -4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -11.693 -5.943 -3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.844 -4.291 -5.653 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.372 -8.244 -6.087 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.528 -3.774 -7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.037 -7.734 -8.397 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.123 -6.222 -10.002 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.188 -5.090 -2.102 1.00 0.00 N ATOM 1165 CA TRP A 43 -8.951 -4.782 -0.700 1.00 0.00 C ATOM 1166 C TRP A 43 -9.741 -3.551 -0.279 1.00 0.00 C ATOM 1167 O TRP A 43 -10.447 -2.946 -1.083 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.460 -4.535 -0.441 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.553 -5.554 -1.064 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.038 -5.523 -2.326 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -6.046 -6.744 -0.451 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.251 -6.628 -2.540 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.240 -7.391 -1.405 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -6.197 -7.328 0.810 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.589 -8.591 -1.139 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -5.549 -8.521 1.073 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.754 -9.141 0.101 1.00 0.00 C ATOM 0 H TRP A 43 -9.144 -4.283 -2.724 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.280 -5.640 -0.114 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.195 -3.548 -0.820 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.287 -4.520 0.635 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.222 -4.744 -3.051 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.755 -6.844 -3.405 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.808 -6.856 1.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.975 -9.071 -1.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.658 -8.982 2.044 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.261 -10.073 0.336 1.00 0.00 H new ATOM 1188 N HIS A 44 -9.604 -3.189 0.987 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.211 -1.983 1.535 1.00 0.00 C ATOM 1190 C HIS A 44 -9.279 -1.405 2.592 1.00 0.00 C ATOM 1191 O HIS A 44 -8.269 -2.030 2.926 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.623 -2.245 2.116 1.00 0.00 C ATOM 1193 CG HIS A 44 -11.745 -3.458 2.999 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.541 -3.527 4.136 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.136 -4.657 2.903 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.374 -4.750 4.679 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.535 -5.450 3.954 1.00 0.00 N ATOM 0 H HIS A 44 -9.066 -3.725 1.668 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.347 -1.264 0.728 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.930 -1.369 2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.324 -2.348 1.288 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -13.143 -2.786 4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.445 -4.948 2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.859 -5.101 5.578 1.00 0.00 H new ATOM 1205 N SER A 45 -9.624 -0.235 3.113 1.00 0.00 N ATOM 1206 CA SER A 45 -8.758 0.516 4.021 1.00 0.00 C ATOM 1207 C SER A 45 -8.157 -0.341 5.141 1.00 0.00 C ATOM 1208 O SER A 45 -6.947 -0.312 5.363 1.00 0.00 O ATOM 1209 CB SER A 45 -9.549 1.679 4.616 1.00 0.00 C ATOM 1210 OG SER A 45 -10.855 1.731 4.064 1.00 0.00 O ATOM 0 H SER A 45 -10.514 0.224 2.919 1.00 0.00 H new ATOM 0 HA SER A 45 -7.915 0.881 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.610 1.568 5.699 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.029 2.617 4.421 1.00 0.00 H new ATOM 0 HG SER A 45 -11.506 1.439 4.736 1.00 0.00 H new ATOM 1216 N ARG A 46 -8.996 -1.113 5.825 1.00 0.00 N ATOM 1217 CA ARG A 46 -8.557 -1.851 7.006 1.00 0.00 C ATOM 1218 C ARG A 46 -7.748 -3.101 6.651 1.00 0.00 C ATOM 1219 O ARG A 46 -7.056 -3.647 7.507 1.00 0.00 O ATOM 1220 CB ARG A 46 -9.760 -2.233 7.881 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.471 -3.507 7.445 1.00 0.00 C ATOM 1222 CD ARG A 46 -10.228 -4.653 8.419 1.00 0.00 C ATOM 1223 NE ARG A 46 -11.036 -5.829 8.081 1.00 0.00 N ATOM 1224 CZ ARG A 46 -12.127 -6.206 8.753 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -12.473 -5.581 9.872 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -12.857 -7.231 8.322 1.00 0.00 N ATOM 0 H ARG A 46 -9.978 -1.244 5.584 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.898 -1.187 7.565 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.422 -2.353 8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.475 -1.411 7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.542 -3.317 7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.125 -3.794 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.172 -4.922 8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.465 -4.327 9.432 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.747 -6.394 7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.905 -4.809 10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.307 -5.872 10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.584 -7.731 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.690 -7.517 8.837 1.00 0.00 H new ATOM 1240 N CYS A 47 -7.840 -3.564 5.408 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.152 -4.789 5.020 1.00 0.00 C ATOM 1242 C CYS A 47 -5.873 -4.510 4.248 1.00 0.00 C ATOM 1243 O CYS A 47 -4.910 -5.271 4.350 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.060 -5.691 4.204 1.00 0.00 C ATOM 1245 SG CYS A 47 -8.862 -6.996 5.179 1.00 0.00 S ATOM 0 H CYS A 47 -8.375 -3.117 4.663 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.881 -5.299 5.944 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.828 -5.082 3.727 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.478 -6.152 3.406 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.149 -6.938 5.006 1.00 0.00 H new ATOM 1250 N LEU A 48 -5.857 -3.435 3.472 1.00 0.00 N ATOM 1251 CA LEU A 48 -4.659 -3.067 2.738 1.00 0.00 C ATOM 1252 C LEU A 48 -3.641 -2.447 3.687 1.00 0.00 C ATOM 1253 O LEU A 48 -3.349 -1.251 3.630 1.00 0.00 O ATOM 1254 CB LEU A 48 -4.985 -2.108 1.592 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.732 -2.665 0.187 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -4.532 -1.535 -0.807 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.530 -3.599 0.173 1.00 0.00 C ATOM 0 H LEU A 48 -6.652 -2.810 3.336 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.232 -3.969 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.033 -1.819 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.394 -1.201 1.718 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.611 -3.239 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.354 -1.950 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.424 -0.909 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.674 -0.933 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.376 -3.978 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.643 -3.055 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.710 -4.434 0.850 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.123 -3.278 4.571 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.186 -2.845 5.582 1.00 0.00 C ATOM 1271 C LYS A 49 -0.988 -3.771 5.616 1.00 0.00 C ATOM 1272 O LYS A 49 -1.033 -4.887 5.092 1.00 0.00 O ATOM 1273 CB LYS A 49 -2.849 -2.813 6.966 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.057 -3.729 7.103 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.665 -5.145 7.507 1.00 0.00 C ATOM 1276 CE LYS A 49 -4.829 -5.890 8.146 1.00 0.00 C ATOM 1277 NZ LYS A 49 -5.598 -6.697 7.156 1.00 0.00 N ATOM 0 H LYS A 49 -3.342 -4.274 4.606 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.858 -1.837 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.109 -3.092 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.156 -1.790 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.740 -3.317 7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.596 -3.760 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.321 -5.692 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.830 -5.106 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.451 -6.546 8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.497 -5.174 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.616 -6.594 7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.385 -6.362 6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.330 -7.698 7.241 1.00 0.00 H new ATOM 1291 N CYS A 50 0.075 -3.293 6.229 1.00 0.00 N ATOM 1292 CA CYS A 50 1.270 -4.076 6.441 1.00 0.00 C ATOM 1293 C CYS A 50 0.966 -5.268 7.341 1.00 0.00 C ATOM 1294 O CYS A 50 0.324 -5.126 8.381 1.00 0.00 O ATOM 1295 CB CYS A 50 2.323 -3.174 7.079 1.00 0.00 C ATOM 1296 SG CYS A 50 3.988 -3.890 7.250 1.00 0.00 S ATOM 0 H CYS A 50 0.132 -2.343 6.596 1.00 0.00 H new ATOM 0 HA CYS A 50 1.641 -4.463 5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.400 -2.263 6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.971 -2.882 8.068 1.00 0.00 H new ATOM 0 HG CYS A 50 4.876 -2.942 7.193 1.00 0.00 H new ATOM 1301 N SER A 51 1.415 -6.440 6.932 1.00 0.00 N ATOM 1302 CA SER A 51 1.255 -7.633 7.742 1.00 0.00 C ATOM 1303 C SER A 51 2.239 -7.621 8.910 1.00 0.00 C ATOM 1304 O SER A 51 2.156 -8.447 9.822 1.00 0.00 O ATOM 1305 CB SER A 51 1.474 -8.885 6.885 1.00 0.00 C ATOM 1306 OG SER A 51 0.664 -8.861 5.717 1.00 0.00 O ATOM 0 H SER A 51 1.893 -6.591 6.044 1.00 0.00 H new ATOM 0 HA SER A 51 0.241 -7.648 8.141 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.524 -8.954 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.244 -9.774 7.471 1.00 0.00 H new ATOM 0 HG SER A 51 0.991 -8.168 5.106 1.00 0.00 H new ATOM 1312 N SER A 52 3.168 -6.674 8.884 1.00 0.00 N ATOM 1313 CA SER A 52 4.209 -6.617 9.891 1.00 0.00 C ATOM 1314 C SER A 52 3.932 -5.543 10.954 1.00 0.00 C ATOM 1315 O SER A 52 3.961 -5.845 12.146 1.00 0.00 O ATOM 1316 CB SER A 52 5.562 -6.399 9.218 1.00 0.00 C ATOM 1317 OG SER A 52 6.239 -7.634 9.040 1.00 0.00 O ATOM 0 H SER A 52 3.219 -5.940 8.178 1.00 0.00 H new ATOM 0 HA SER A 52 4.224 -7.571 10.418 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.419 -5.914 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.171 -5.729 9.824 1.00 0.00 H new ATOM 0 HG SER A 52 7.103 -7.474 8.606 1.00 0.00 H new ATOM 1323 N CYS A 53 3.648 -4.306 10.544 1.00 0.00 N ATOM 1324 CA CYS A 53 3.396 -3.244 11.519 1.00 0.00 C ATOM 1325 C CYS A 53 1.945 -2.772 11.468 1.00 0.00 C ATOM 1326 O CYS A 53 1.546 -1.874 12.217 1.00 0.00 O ATOM 1327 CB CYS A 53 4.353 -2.064 11.317 1.00 0.00 C ATOM 1328 SG CYS A 53 4.101 -1.130 9.776 1.00 0.00 S ATOM 0 H CYS A 53 3.587 -4.019 9.567 1.00 0.00 H new ATOM 0 HA CYS A 53 3.579 -3.664 12.508 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.248 -1.381 12.160 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.377 -2.438 11.335 1.00 0.00 H new ATOM 0 HG CYS A 53 4.060 -1.954 8.771 1.00 0.00 H new ATOM 1333 N GLN A 54 1.170 -3.387 10.578 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.256 -3.100 10.427 1.00 0.00 C ATOM 1335 C GLN A 54 -0.508 -1.691 9.900 1.00 0.00 C ATOM 1336 O GLN A 54 -1.602 -1.152 10.065 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.000 -3.316 11.746 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.037 -4.421 11.680 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.454 -3.887 11.632 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.255 -4.135 12.531 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -3.770 -3.142 10.585 1.00 0.00 N ATOM 0 H GLN A 54 1.514 -4.102 9.938 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.642 -3.800 9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.278 -3.552 12.527 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.489 -2.386 12.035 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.854 -5.034 10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.926 -5.070 12.548 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.076 -2.960 9.860 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.708 -2.750 10.503 1.00 0.00 H new ATOM 1350 N ALA A 55 0.493 -1.098 9.263 1.00 0.00 N ATOM 1351 CA ALA A 55 0.330 0.214 8.650 1.00 0.00 C ATOM 1352 C ALA A 55 -0.672 0.149 7.506 1.00 0.00 C ATOM 1353 O ALA A 55 -0.446 -0.548 6.519 1.00 0.00 O ATOM 1354 CB ALA A 55 1.663 0.735 8.144 1.00 0.00 C ATOM 0 H ALA A 55 1.423 -1.503 9.157 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.049 0.899 9.409 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.522 1.716 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.361 0.818 8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.065 0.046 7.402 1.00 0.00 H new ATOM 1360 N GLN A 56 -1.778 0.869 7.642 1.00 0.00 N ATOM 1361 CA GLN A 56 -2.827 0.864 6.629 1.00 0.00 C ATOM 1362 C GLN A 56 -2.398 1.688 5.421 1.00 0.00 C ATOM 1363 O GLN A 56 -2.707 2.878 5.326 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.134 1.415 7.211 1.00 0.00 C ATOM 1365 CG GLN A 56 -4.948 0.382 7.985 1.00 0.00 C ATOM 1366 CD GLN A 56 -6.276 0.924 8.491 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -6.715 2.008 8.098 1.00 0.00 O ATOM 1368 NE2 GLN A 56 -6.930 0.174 9.366 1.00 0.00 N ATOM 0 H GLN A 56 -1.973 1.466 8.446 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.996 -0.164 6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.903 2.251 7.872 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.744 1.810 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.135 -0.479 7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.361 0.027 8.832 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.537 -0.717 9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.827 0.488 9.737 1.00 0.00 H new ATOM 1377 N LEU A 57 -1.682 1.047 4.501 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.139 1.726 3.329 1.00 0.00 C ATOM 1379 C LEU A 57 -2.229 2.019 2.307 1.00 0.00 C ATOM 1380 O LEU A 57 -2.099 2.932 1.487 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.041 0.875 2.684 1.00 0.00 C ATOM 1382 CG LEU A 57 0.960 0.259 3.663 1.00 0.00 C ATOM 1383 CD1 LEU A 57 1.049 -1.247 3.461 1.00 0.00 C ATOM 1384 CD2 LEU A 57 2.328 0.896 3.499 1.00 0.00 C ATOM 0 H LEU A 57 -1.464 0.052 4.546 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.714 2.674 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.511 0.072 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.505 1.493 1.971 1.00 0.00 H new ATOM 0 HG LEU A 57 0.609 0.451 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.766 -1.667 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.070 -1.695 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.375 -1.459 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.026 0.445 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.685 0.735 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.257 1.966 3.694 1.00 0.00 H new ATOM 1396 N GLY A 58 -3.317 1.260 2.376 1.00 0.00 N ATOM 1397 CA GLY A 58 -4.441 1.490 1.490 1.00 0.00 C ATOM 1398 C GLY A 58 -5.169 2.770 1.832 1.00 0.00 C ATOM 1399 O GLY A 58 -5.970 3.272 1.049 1.00 0.00 O ATOM 0 H GLY A 58 -3.440 0.488 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.089 1.536 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.132 0.650 1.554 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.877 3.305 3.007 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.479 4.550 3.449 1.00 0.00 C ATOM 1405 C ASP A 59 -4.532 5.712 3.192 1.00 0.00 C ATOM 1406 O ASP A 59 -4.764 6.837 3.627 1.00 0.00 O ATOM 1407 CB ASP A 59 -5.837 4.466 4.933 1.00 0.00 C ATOM 1408 CG ASP A 59 -6.903 5.462 5.335 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -7.787 5.769 4.509 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -6.866 5.943 6.487 1.00 0.00 O ATOM 0 H ASP A 59 -4.224 2.893 3.673 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.395 4.719 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.183 3.458 5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.941 4.639 5.529 1.00 0.00 H new ATOM 1415 N ILE A 60 -3.460 5.421 2.477 1.00 0.00 N ATOM 1416 CA ILE A 60 -2.469 6.427 2.128 1.00 0.00 C ATOM 1417 C ILE A 60 -2.402 6.602 0.621 1.00 0.00 C ATOM 1418 O ILE A 60 -2.623 7.694 0.094 1.00 0.00 O ATOM 1419 CB ILE A 60 -1.065 6.071 2.667 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.150 5.601 4.121 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -0.135 7.271 2.549 1.00 0.00 C ATOM 1422 CD1 ILE A 60 0.104 4.906 4.610 1.00 0.00 C ATOM 0 H ILE A 60 -3.251 4.487 2.123 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.783 7.360 2.595 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.660 5.256 2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.351 6.461 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.996 4.921 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.851 7.007 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.051 7.565 1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.538 8.102 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.030 4.601 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.296 4.026 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.950 5.590 4.539 1.00 0.00 H new ATOM 1434 N GLY A 61 -2.103 5.517 -0.062 1.00 0.00 N ATOM 1435 CA GLY A 61 -2.080 5.534 -1.513 1.00 0.00 C ATOM 1436 C GLY A 61 -0.710 5.235 -2.091 1.00 0.00 C ATOM 1437 O GLY A 61 -0.596 4.864 -3.259 1.00 0.00 O ATOM 0 H GLY A 61 -1.874 4.617 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.794 4.802 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.410 6.512 -1.864 1.00 0.00 H new ATOM 1441 N THR A 62 0.328 5.401 -1.284 1.00 0.00 N ATOM 1442 CA THR A 62 1.684 5.130 -1.731 1.00 0.00 C ATOM 1443 C THR A 62 1.909 3.630 -1.904 1.00 0.00 C ATOM 1444 O THR A 62 1.381 2.820 -1.141 1.00 0.00 O ATOM 1445 CB THR A 62 2.708 5.703 -0.740 1.00 0.00 C ATOM 1446 OG1 THR A 62 2.042 6.577 0.185 1.00 0.00 O ATOM 1447 CG2 THR A 62 3.802 6.462 -1.478 1.00 0.00 C ATOM 0 H THR A 62 0.256 5.721 -0.318 1.00 0.00 H new ATOM 0 HA THR A 62 1.821 5.617 -2.697 1.00 0.00 H new ATOM 0 HB THR A 62 3.170 4.880 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.695 6.941 0.819 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.517 6.860 -0.758 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.314 5.787 -2.164 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.359 7.283 -2.041 1.00 0.00 H new ATOM 1455 N SER A 63 2.684 3.272 -2.919 1.00 0.00 N ATOM 1456 CA SER A 63 2.907 1.876 -3.273 1.00 0.00 C ATOM 1457 C SER A 63 3.620 1.099 -2.165 1.00 0.00 C ATOM 1458 O SER A 63 4.748 1.428 -1.777 1.00 0.00 O ATOM 1459 CB SER A 63 3.715 1.808 -4.569 1.00 0.00 C ATOM 1460 OG SER A 63 3.547 2.996 -5.331 1.00 0.00 O ATOM 0 H SER A 63 3.174 3.937 -3.518 1.00 0.00 H new ATOM 0 HA SER A 63 1.933 1.407 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.771 1.665 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.398 0.946 -5.156 1.00 0.00 H new ATOM 0 HG SER A 63 4.073 2.933 -6.155 1.00 0.00 H new ATOM 1466 N SER A 64 2.944 0.082 -1.649 1.00 0.00 N ATOM 1467 CA SER A 64 3.542 -0.843 -0.708 1.00 0.00 C ATOM 1468 C SER A 64 4.357 -1.899 -1.459 1.00 0.00 C ATOM 1469 O SER A 64 4.416 -1.884 -2.694 1.00 0.00 O ATOM 1470 CB SER A 64 2.441 -1.506 0.114 1.00 0.00 C ATOM 1471 OG SER A 64 1.163 -1.202 -0.426 1.00 0.00 O ATOM 0 H SER A 64 1.970 -0.121 -1.872 1.00 0.00 H new ATOM 0 HA SER A 64 4.212 -0.302 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.589 -2.586 0.127 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.496 -1.165 1.148 1.00 0.00 H new ATOM 0 HG SER A 64 1.009 -1.745 -1.227 1.00 0.00 H new ATOM 1477 N TYR A 65 4.971 -2.815 -0.722 1.00 0.00 N ATOM 1478 CA TYR A 65 5.824 -3.833 -1.325 1.00 0.00 C ATOM 1479 C TYR A 65 5.366 -5.229 -0.922 1.00 0.00 C ATOM 1480 O TYR A 65 4.560 -5.386 -0.004 1.00 0.00 O ATOM 1481 CB TYR A 65 7.282 -3.613 -0.915 1.00 0.00 C ATOM 1482 CG TYR A 65 7.854 -2.302 -1.407 1.00 0.00 C ATOM 1483 CD1 TYR A 65 7.675 -1.130 -0.688 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.567 -2.238 -2.595 1.00 0.00 C ATOM 1485 CE1 TYR A 65 8.190 0.070 -1.136 1.00 0.00 C ATOM 1486 CE2 TYR A 65 9.085 -1.042 -3.051 1.00 0.00 C ATOM 1487 CZ TYR A 65 8.894 0.110 -2.319 1.00 0.00 C ATOM 1488 OH TYR A 65 9.412 1.304 -2.769 1.00 0.00 O ATOM 0 H TYR A 65 4.895 -2.875 0.293 1.00 0.00 H new ATOM 0 HA TYR A 65 5.747 -3.747 -2.409 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.355 -3.647 0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.888 -4.433 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.123 -1.156 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.719 -3.138 -3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.042 0.973 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.638 -1.009 -3.978 1.00 0.00 H new ATOM 0 HH TYR A 65 10.072 1.130 -3.472 1.00 0.00 H new ATOM 1498 N THR A 66 5.874 -6.235 -1.612 1.00 0.00 N ATOM 1499 CA THR A 66 5.498 -7.609 -1.339 1.00 0.00 C ATOM 1500 C THR A 66 6.567 -8.570 -1.851 1.00 0.00 C ATOM 1501 O THR A 66 7.543 -8.148 -2.476 1.00 0.00 O ATOM 1502 CB THR A 66 4.131 -7.952 -1.981 1.00 0.00 C ATOM 1503 OG1 THR A 66 3.622 -9.181 -1.441 1.00 0.00 O ATOM 1504 CG2 THR A 66 4.248 -8.057 -3.498 1.00 0.00 C ATOM 0 H THR A 66 6.550 -6.124 -2.368 1.00 0.00 H new ATOM 0 HA THR A 66 5.409 -7.720 -0.258 1.00 0.00 H new ATOM 0 HB THR A 66 3.437 -7.145 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.769 -9.198 -0.472 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.273 -8.299 -3.922 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.594 -7.106 -3.903 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.960 -8.841 -3.755 1.00 0.00 H new ATOM 1512 N LYS A 67 6.376 -9.851 -1.565 1.00 0.00 N ATOM 1513 CA LYS A 67 7.283 -10.901 -2.010 1.00 0.00 C ATOM 1514 C LYS A 67 6.637 -12.265 -1.799 1.00 0.00 C ATOM 1515 O LYS A 67 6.316 -12.968 -2.753 1.00 0.00 O ATOM 1516 CB LYS A 67 8.612 -10.832 -1.254 1.00 0.00 C ATOM 1517 CG LYS A 67 9.816 -11.190 -2.113 1.00 0.00 C ATOM 1518 CD LYS A 67 11.097 -11.228 -1.296 1.00 0.00 C ATOM 1519 CE LYS A 67 12.314 -11.480 -2.173 1.00 0.00 C ATOM 1520 NZ LYS A 67 13.094 -10.238 -2.412 1.00 0.00 N ATOM 0 H LYS A 67 5.586 -10.192 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 67 7.484 -10.755 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.744 -9.825 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.571 -11.508 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.654 -12.161 -2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.919 -10.462 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.219 -10.283 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.024 -12.010 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.954 -12.225 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.993 -11.896 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.245 -10.114 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.570 -9.421 -2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.014 -10.308 -1.932 1.00 0.00 H new ATOM 1534 N SER A 68 6.426 -12.619 -0.539 1.00 0.00 N ATOM 1535 CA SER A 68 5.829 -13.902 -0.189 1.00 0.00 C ATOM 1536 C SER A 68 4.324 -13.769 0.039 1.00 0.00 C ATOM 1537 O SER A 68 3.784 -14.308 1.006 1.00 0.00 O ATOM 1538 CB SER A 68 6.507 -14.455 1.065 1.00 0.00 C ATOM 1539 OG SER A 68 7.845 -13.998 1.154 1.00 0.00 O ATOM 0 H SER A 68 6.660 -12.033 0.262 1.00 0.00 H new ATOM 0 HA SER A 68 5.979 -14.592 -1.020 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.952 -14.146 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.490 -15.545 1.043 1.00 0.00 H new ATOM 0 HG SER A 68 7.987 -13.568 2.023 1.00 0.00 H new ATOM 1545 N GLY A 69 3.657 -13.026 -0.837 1.00 0.00 N ATOM 1546 CA GLY A 69 2.211 -12.873 -0.748 1.00 0.00 C ATOM 1547 C GLY A 69 1.778 -11.872 0.308 1.00 0.00 C ATOM 1548 O GLY A 69 0.692 -11.303 0.223 1.00 0.00 O ATOM 0 H GLY A 69 4.091 -12.524 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.825 -12.558 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.763 -13.842 -0.526 1.00 0.00 H new ATOM 1552 N MET A 70 2.623 -11.653 1.304 1.00 0.00 N ATOM 1553 CA MET A 70 2.303 -10.730 2.385 1.00 0.00 C ATOM 1554 C MET A 70 2.506 -9.292 1.939 1.00 0.00 C ATOM 1555 O MET A 70 3.454 -8.987 1.217 1.00 0.00 O ATOM 1556 CB MET A 70 3.165 -11.008 3.622 1.00 0.00 C ATOM 1557 CG MET A 70 3.463 -12.481 3.854 1.00 0.00 C ATOM 1558 SD MET A 70 4.419 -12.765 5.355 1.00 0.00 S ATOM 1559 CE MET A 70 6.022 -13.170 4.670 1.00 0.00 C ATOM 0 H MET A 70 3.536 -12.101 1.387 1.00 0.00 H new ATOM 0 HA MET A 70 1.256 -10.881 2.647 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.107 -10.469 3.523 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.660 -10.608 4.501 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.525 -13.033 3.915 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.010 -12.877 2.998 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.783 -13.076 5.445 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.010 -14.194 4.296 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.251 -12.487 3.852 1.00 0.00 H new ATOM 1569 N ILE A 71 1.614 -8.418 2.370 1.00 0.00 N ATOM 1570 CA ILE A 71 1.726 -6.998 2.070 1.00 0.00 C ATOM 1571 C ILE A 71 2.534 -6.318 3.158 1.00 0.00 C ATOM 1572 O ILE A 71 2.198 -6.417 4.336 1.00 0.00 O ATOM 1573 CB ILE A 71 0.347 -6.310 1.970 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.729 -7.296 1.505 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.416 -5.116 1.031 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.619 -7.783 2.626 1.00 0.00 C ATOM 0 H ILE A 71 0.800 -8.666 2.932 1.00 0.00 H new ATOM 0 HA ILE A 71 2.219 -6.906 1.102 1.00 0.00 H new ATOM 0 HB ILE A 71 0.073 -5.957 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.345 -6.818 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.247 -8.153 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.564 -4.643 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.144 -4.398 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.718 -5.451 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.358 -8.478 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.013 -8.289 3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.128 -6.934 3.082 1.00 0.00 H new ATOM 1588 N LEU A 72 3.605 -5.652 2.770 1.00 0.00 N ATOM 1589 CA LEU A 72 4.481 -5.008 3.731 1.00 0.00 C ATOM 1590 C LEU A 72 4.748 -3.568 3.328 1.00 0.00 C ATOM 1591 O LEU A 72 4.761 -3.237 2.137 1.00 0.00 O ATOM 1592 CB LEU A 72 5.802 -5.776 3.841 1.00 0.00 C ATOM 1593 CG LEU A 72 5.784 -6.971 4.801 1.00 0.00 C ATOM 1594 CD1 LEU A 72 5.305 -8.228 4.096 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.164 -7.206 5.397 1.00 0.00 C ATOM 0 H LEU A 72 3.890 -5.543 1.797 1.00 0.00 H new ATOM 0 HA LEU A 72 3.988 -5.011 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.081 -6.131 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.581 -5.084 4.162 1.00 0.00 H new ATOM 0 HG LEU A 72 5.088 -6.737 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.302 -9.061 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.296 -8.070 3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.973 -8.457 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.127 -8.059 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.876 -7.409 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.479 -6.319 5.947 1.00 0.00 H new ATOM 1607 N CYS A 73 4.954 -2.714 4.319 1.00 0.00 N ATOM 1608 CA CYS A 73 5.247 -1.321 4.058 1.00 0.00 C ATOM 1609 C CYS A 73 6.651 -1.167 3.483 1.00 0.00 C ATOM 1610 O CYS A 73 7.440 -2.117 3.460 1.00 0.00 O ATOM 1611 CB CYS A 73 5.094 -0.483 5.335 1.00 0.00 C ATOM 1612 SG CYS A 73 6.292 -0.869 6.651 1.00 0.00 S ATOM 0 H CYS A 73 4.923 -2.964 5.307 1.00 0.00 H new ATOM 0 HA CYS A 73 4.531 -0.955 3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.189 0.571 5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.087 -0.625 5.727 1.00 0.00 H new ATOM 0 HG CYS A 73 5.668 -0.984 7.786 1.00 0.00 H new ATOM 1617 N ARG A 74 6.953 0.039 3.026 1.00 0.00 N ATOM 1618 CA ARG A 74 8.255 0.341 2.438 1.00 0.00 C ATOM 1619 C ARG A 74 9.359 0.170 3.469 1.00 0.00 C ATOM 1620 O ARG A 74 10.489 -0.177 3.138 1.00 0.00 O ATOM 1621 CB ARG A 74 8.279 1.770 1.887 1.00 0.00 C ATOM 1622 CG ARG A 74 7.243 2.689 2.511 1.00 0.00 C ATOM 1623 CD ARG A 74 6.239 3.183 1.483 1.00 0.00 C ATOM 1624 NE ARG A 74 5.634 4.449 1.886 1.00 0.00 N ATOM 1625 CZ ARG A 74 5.937 5.627 1.343 1.00 0.00 C ATOM 1626 NH1 ARG A 74 6.772 5.689 0.310 1.00 0.00 N ATOM 1627 NH2 ARG A 74 5.378 6.735 1.815 1.00 0.00 N ATOM 0 H ARG A 74 6.311 0.831 3.050 1.00 0.00 H new ATOM 0 HA ARG A 74 8.425 -0.357 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.270 2.194 2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.118 1.736 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.719 2.160 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.743 3.542 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.735 3.306 0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.459 2.434 1.346 1.00 0.00 H new ATOM 0 HE ARG A 74 4.936 4.430 2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.181 4.834 -0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.003 6.591 -0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.719 6.683 2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.608 7.638 1.401 1.00 0.00 H new ATOM 1641 N ASN A 75 9.008 0.402 4.722 1.00 0.00 N ATOM 1642 CA ASN A 75 9.955 0.303 5.820 1.00 0.00 C ATOM 1643 C ASN A 75 10.200 -1.152 6.190 1.00 0.00 C ATOM 1644 O ASN A 75 11.341 -1.586 6.356 1.00 0.00 O ATOM 1645 CB ASN A 75 9.424 1.059 7.041 1.00 0.00 C ATOM 1646 CG ASN A 75 10.536 1.569 7.933 1.00 0.00 C ATOM 1647 OD1 ASN A 75 11.355 2.387 7.515 1.00 0.00 O ATOM 1648 ND2 ASN A 75 10.573 1.094 9.166 1.00 0.00 N ATOM 0 H ASN A 75 8.064 0.663 5.006 1.00 0.00 H new ATOM 0 HA ASN A 75 10.897 0.747 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.815 1.899 6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.773 0.402 7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 75 11.300 1.405 9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.875 0.417 9.473 1.00 0.00 H new ATOM 1655 N ASP A 76 9.119 -1.907 6.289 1.00 0.00 N ATOM 1656 CA ASP A 76 9.180 -3.271 6.785 1.00 0.00 C ATOM 1657 C ASP A 76 9.771 -4.220 5.767 1.00 0.00 C ATOM 1658 O ASP A 76 10.516 -5.124 6.128 1.00 0.00 O ATOM 1659 CB ASP A 76 7.796 -3.760 7.181 1.00 0.00 C ATOM 1660 CG ASP A 76 7.624 -3.815 8.679 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.430 -4.506 9.349 1.00 0.00 O ATOM 1662 OD2 ASP A 76 6.694 -3.169 9.190 1.00 0.00 O ATOM 0 H ASP A 76 8.183 -1.595 6.030 1.00 0.00 H new ATOM 0 HA ASP A 76 9.831 -3.259 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.042 -3.099 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.627 -4.751 6.760 1.00 0.00 H new ATOM 1667 N TYR A 77 9.445 -4.022 4.496 1.00 0.00 N ATOM 1668 CA TYR A 77 9.909 -4.932 3.462 1.00 0.00 C ATOM 1669 C TYR A 77 11.434 -5.000 3.432 1.00 0.00 C ATOM 1670 O TYR A 77 12.004 -6.085 3.336 1.00 0.00 O ATOM 1671 CB TYR A 77 9.382 -4.541 2.080 1.00 0.00 C ATOM 1672 CG TYR A 77 9.950 -5.421 0.992 1.00 0.00 C ATOM 1673 CD1 TYR A 77 9.701 -6.787 0.981 1.00 0.00 C ATOM 1674 CD2 TYR A 77 10.765 -4.896 0.001 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.251 -7.605 0.016 1.00 0.00 C ATOM 1676 CE2 TYR A 77 11.312 -5.706 -0.975 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.054 -7.059 -0.961 1.00 0.00 C ATOM 1678 OH TYR A 77 11.621 -7.872 -1.914 1.00 0.00 O ATOM 0 H TYR A 77 8.869 -3.250 4.161 1.00 0.00 H new ATOM 0 HA TYR A 77 9.515 -5.917 3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.294 -4.611 2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.636 -3.501 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.066 -7.217 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.976 -3.837 -0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.053 -8.667 0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.939 -5.281 -1.745 1.00 0.00 H new ATOM 0 HH TYR A 77 12.563 -7.629 -2.033 1.00 0.00 H new ATOM 1688 N ILE A 78 12.091 -3.849 3.533 1.00 0.00 N ATOM 1689 CA ILE A 78 13.552 -3.808 3.493 1.00 0.00 C ATOM 1690 C ILE A 78 14.143 -4.401 4.768 1.00 0.00 C ATOM 1691 O ILE A 78 15.218 -5.006 4.752 1.00 0.00 O ATOM 1692 CB ILE A 78 14.085 -2.371 3.303 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.269 -1.627 2.241 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.556 -2.399 2.919 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.630 -0.161 2.116 1.00 0.00 C ATOM 0 H ILE A 78 11.642 -2.940 3.642 1.00 0.00 H new ATOM 0 HA ILE A 78 13.861 -4.404 2.634 1.00 0.00 H new ATOM 0 HB ILE A 78 13.982 -1.839 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 78 13.416 -2.112 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.210 -1.712 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.917 -1.379 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.128 -2.889 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.678 -2.949 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.013 0.301 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.456 0.339 3.069 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.681 -0.067 1.843 1.00 0.00 H new ATOM 1707 N ARG A 79 13.428 -4.228 5.870 1.00 0.00 N ATOM 1708 CA ARG A 79 13.850 -4.768 7.154 1.00 0.00 C ATOM 1709 C ARG A 79 13.671 -6.285 7.180 1.00 0.00 C ATOM 1710 O ARG A 79 14.501 -7.013 7.727 1.00 0.00 O ATOM 1711 CB ARG A 79 13.037 -4.128 8.283 1.00 0.00 C ATOM 1712 CG ARG A 79 13.847 -3.220 9.196 1.00 0.00 C ATOM 1713 CD ARG A 79 13.236 -3.152 10.584 1.00 0.00 C ATOM 1714 NE ARG A 79 13.763 -2.039 11.372 1.00 0.00 N ATOM 1715 CZ ARG A 79 12.999 -1.153 12.008 1.00 0.00 C ATOM 1716 NH1 ARG A 79 11.677 -1.245 11.944 1.00 0.00 N ATOM 1717 NH2 ARG A 79 13.558 -0.182 12.715 1.00 0.00 N ATOM 0 H ARG A 79 12.547 -3.714 5.900 1.00 0.00 H new ATOM 0 HA ARG A 79 14.906 -4.538 7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.221 -3.552 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.584 -4.918 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.871 -3.588 9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.896 -2.219 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.154 -3.052 10.497 1.00 0.00 H new ATOM 0 HD3 ARG A 79 13.428 -4.088 11.109 1.00 0.00 H new ATOM 0 HE ARG A 79 14.776 -1.935 11.439 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.243 -1.996 11.407 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.094 -0.565 12.432 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.574 -0.113 12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.972 0.496 13.202 1.00 0.00 H new ATOM 1731 N LEU A 80 12.586 -6.750 6.573 1.00 0.00 N ATOM 1732 CA LEU A 80 12.244 -8.165 6.566 1.00 0.00 C ATOM 1733 C LEU A 80 13.014 -8.929 5.490 1.00 0.00 C ATOM 1734 O LEU A 80 13.813 -9.815 5.795 1.00 0.00 O ATOM 1735 CB LEU A 80 10.737 -8.332 6.336 1.00 0.00 C ATOM 1736 CG LEU A 80 10.023 -9.300 7.283 1.00 0.00 C ATOM 1737 CD1 LEU A 80 10.489 -10.727 7.047 1.00 0.00 C ATOM 1738 CD2 LEU A 80 10.253 -8.894 8.731 1.00 0.00 C ATOM 0 H LEU A 80 11.921 -6.159 6.074 1.00 0.00 H new ATOM 0 HA LEU A 80 12.522 -8.579 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.265 -7.354 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.580 -8.672 5.312 1.00 0.00 H new ATOM 0 HG LEU A 80 8.954 -9.254 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.969 -11.398 7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.270 -11.016 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.563 -10.793 7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.739 -9.593 9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.321 -8.909 8.948 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.864 -7.889 8.893 1.00 0.00 H new ATOM 1750 N PHE A 81 12.784 -8.569 4.235 1.00 0.00 N ATOM 1751 CA PHE A 81 13.338 -9.316 3.112 1.00 0.00 C ATOM 1752 C PHE A 81 14.450 -8.542 2.423 1.00 0.00 C ATOM 1753 O PHE A 81 15.634 -8.774 2.674 1.00 0.00 O ATOM 1754 CB PHE A 81 12.243 -9.640 2.091 1.00 0.00 C ATOM 1755 CG PHE A 81 11.239 -10.649 2.562 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.450 -12.003 2.355 1.00 0.00 C ATOM 1757 CD2 PHE A 81 10.080 -10.247 3.207 1.00 0.00 C ATOM 1758 CE1 PHE A 81 10.524 -12.932 2.782 1.00 0.00 C ATOM 1759 CE2 PHE A 81 9.152 -11.175 3.637 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.375 -12.518 3.423 1.00 0.00 C ATOM 0 H PHE A 81 12.217 -7.764 3.968 1.00 0.00 H new ATOM 0 HA PHE A 81 13.753 -10.241 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.721 -8.719 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.711 -10.009 1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.348 -12.334 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.900 -9.195 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.699 -13.984 2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.254 -10.849 4.140 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.650 -13.246 3.757 1.00 0.00 H new ATOM 1770 N GLY A 82 14.060 -7.611 1.564 1.00 0.00 N ATOM 1771 CA GLY A 82 15.016 -6.941 0.713 1.00 0.00 C ATOM 1772 C GLY A 82 15.188 -7.689 -0.588 1.00 0.00 C ATOM 1773 O GLY A 82 16.294 -8.204 -0.841 1.00 0.00 O ATOM 1774 OXT GLY A 82 14.191 -7.818 -1.332 1.00 0.00 O ATOM 0 H GLY A 82 13.094 -7.308 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.681 -5.923 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.976 -6.865 1.225 1.00 0.00 H new