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 63 SER OG : rot 180:sc= 0.992 USER MOD Set 1.2: A 667 LYS NZ :NH3+ -177:sc= 1.27 (180deg=0) USER MOD Set 2.1: A 50 CYS SG : rot 156:sc= 3.41 USER MOD Set 2.2: A 52 SER OG : rot 85:sc= -2.19! USER MOD Set 2.3: A 53 CYS SG : rot -50:sc= 0.622 USER MOD Set 2.4: A 73 CYS SG : rot -128:sc= -3.7! USER MOD Set 3.1: A 39 MET CE :methyl -152:sc= 0 (180deg=-0.537) USER MOD Set 3.2: A 66 THR OG1 : rot -29:sc= 1.04 USER MOD Set 4.1: A 23 CYS SG : rot -127:sc= 0.934 USER MOD Set 4.2: A 26 CYS SG : rot 55:sc= 1.17 USER MOD Set 4.3: A 44 HIS : no HD1:sc= -10.2! C(o=-6.4!,f=-7.9!) USER MOD Set 4.4: A 47 CYS SG : rot 122:sc= 1.63 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -142:sc= -0.127 (180deg=-0.567) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 41 SER OG : rot 118:sc= 1.15 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -127:sc= 1.31 USER MOD Single : A 49 LYS NZ :NH3+ 147:sc= 1.53 (180deg=1) USER MOD Single : A 51 SER OG : rot 64:sc= 0.258 USER MOD Single : A 54 GLN : amide:sc= 0.0159 X(o=0.016,f=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.0556 F(o=-1.8!,f=-0.056) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.809 USER MOD Single : A 64 SER OG : rot 110:sc= 1.47 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -110:sc= 1.16 USER MOD Single : A 664 SER OG : rot 180:sc= 0.181 USER MOD Single : A 665 GLN : amide:sc=-0.00576 X(o=-0.0058,f=-0.38) USER MOD Single : A 666 TYR OH : rot 180:sc= 0 USER MOD Single : A 668 MET CE :methyl -108:sc= -0.427 (180deg=-1.38) USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 675 THR OG1 : rot -94:sc= 1.36 USER MOD ----------------------------------------------------------------- ATOM 326 N LEU A 663 14.026 -2.339 -5.894 1.00 0.00 N ATOM 327 CA LEU A 663 12.690 -2.749 -5.446 1.00 0.00 C ATOM 328 C LEU A 663 11.597 -2.318 -6.422 1.00 0.00 C ATOM 329 O LEU A 663 10.414 -2.348 -6.088 1.00 0.00 O ATOM 330 CB LEU A 663 12.400 -2.181 -4.050 1.00 0.00 C ATOM 331 CG LEU A 663 12.619 -3.141 -2.874 1.00 0.00 C ATOM 332 CD1 LEU A 663 13.718 -4.149 -3.181 1.00 0.00 C ATOM 333 CD2 LEU A 663 12.957 -2.357 -1.617 1.00 0.00 C ATOM 0 HA LEU A 663 12.683 -3.838 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 663 13.029 -1.304 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 663 11.365 -1.839 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 663 11.694 -3.695 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 663 13.849 -4.815 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 663 13.441 -4.733 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 663 14.652 -3.621 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 663 13.111 -3.048 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 663 13.867 -1.780 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.136 -1.680 -1.378 1.00 0.00 H new ATOM 345 N SER A 664 11.995 -1.948 -7.630 1.00 0.00 N ATOM 346 CA SER A 664 11.064 -1.459 -8.637 1.00 0.00 C ATOM 347 C SER A 664 10.094 -2.552 -9.080 1.00 0.00 C ATOM 348 O SER A 664 8.923 -2.287 -9.348 1.00 0.00 O ATOM 349 CB SER A 664 11.856 -0.945 -9.833 1.00 0.00 C ATOM 350 OG SER A 664 13.234 -1.238 -9.671 1.00 0.00 O ATOM 0 H SER A 664 12.967 -1.978 -7.939 1.00 0.00 H new ATOM 0 HA SER A 664 10.472 -0.652 -8.204 1.00 0.00 H new ATOM 0 HB2 SER A 664 11.484 -1.404 -10.749 1.00 0.00 H new ATOM 0 HB3 SER A 664 11.715 0.131 -9.936 1.00 0.00 H new ATOM 0 HG SER A 664 13.733 -0.905 -10.446 1.00 0.00 H new ATOM 356 N GLN A 665 10.585 -3.783 -9.129 1.00 0.00 N ATOM 357 CA GLN A 665 9.778 -4.915 -9.571 1.00 0.00 C ATOM 358 C GLN A 665 8.832 -5.379 -8.467 1.00 0.00 C ATOM 359 O GLN A 665 7.934 -6.183 -8.704 1.00 0.00 O ATOM 360 CB GLN A 665 10.686 -6.069 -10.001 1.00 0.00 C ATOM 361 CG GLN A 665 10.380 -6.605 -11.390 1.00 0.00 C ATOM 362 CD GLN A 665 10.778 -5.639 -12.489 1.00 0.00 C ATOM 363 OE1 GLN A 665 10.011 -4.750 -12.858 1.00 0.00 O ATOM 364 NE2 GLN A 665 11.974 -5.815 -13.029 1.00 0.00 N ATOM 0 H GLN A 665 11.541 -4.025 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 665 9.177 -4.593 -10.421 1.00 0.00 H new ATOM 0 HB2 GLN A 665 11.723 -5.734 -9.971 1.00 0.00 H new ATOM 0 HB3 GLN A 665 10.593 -6.881 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 665 10.904 -7.550 -11.534 1.00 0.00 H new ATOM 0 HG3 GLN A 665 9.314 -6.817 -11.467 1.00 0.00 H new ATOM 0 HE21 GLN A 665 12.580 -6.564 -12.694 1.00 0.00 H new ATOM 0 HE22 GLN A 665 12.290 -5.201 -13.780 1.00 0.00 H new ATOM 373 N TYR A 666 9.040 -4.869 -7.258 1.00 0.00 N ATOM 374 CA TYR A 666 8.218 -5.253 -6.117 1.00 0.00 C ATOM 375 C TYR A 666 7.171 -4.186 -5.818 1.00 0.00 C ATOM 376 O TYR A 666 6.419 -4.299 -4.850 1.00 0.00 O ATOM 377 CB TYR A 666 9.094 -5.481 -4.883 1.00 0.00 C ATOM 378 CG TYR A 666 9.867 -6.781 -4.913 1.00 0.00 C ATOM 379 CD1 TYR A 666 9.304 -7.937 -5.441 1.00 0.00 C ATOM 380 CD2 TYR A 666 11.163 -6.852 -4.417 1.00 0.00 C ATOM 381 CE1 TYR A 666 10.008 -9.126 -5.470 1.00 0.00 C ATOM 382 CE2 TYR A 666 11.873 -8.038 -4.443 1.00 0.00 C ATOM 383 CZ TYR A 666 11.292 -9.170 -4.972 1.00 0.00 C ATOM 384 OH TYR A 666 11.995 -10.354 -5.001 1.00 0.00 O ATOM 0 H TYR A 666 9.770 -4.190 -7.043 1.00 0.00 H new ATOM 0 HA TYR A 666 7.705 -6.182 -6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 666 9.797 -4.653 -4.791 1.00 0.00 H new ATOM 0 HB3 TYR A 666 8.464 -5.465 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 666 8.299 -7.906 -5.835 1.00 0.00 H new ATOM 0 HD2 TYR A 666 11.623 -5.966 -4.004 1.00 0.00 H new ATOM 0 HE1 TYR A 666 9.554 -10.016 -5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 666 12.878 -8.077 -4.051 1.00 0.00 H new ATOM 0 HH TYR A 666 12.884 -10.216 -4.613 1.00 0.00 H new ATOM 394 N LYS A 667 7.132 -3.152 -6.650 1.00 0.00 N ATOM 395 CA LYS A 667 6.231 -2.030 -6.439 1.00 0.00 C ATOM 396 C LYS A 667 4.803 -2.388 -6.832 1.00 0.00 C ATOM 397 O LYS A 667 4.552 -2.890 -7.927 1.00 0.00 O ATOM 398 CB LYS A 667 6.705 -0.820 -7.242 1.00 0.00 C ATOM 399 CG LYS A 667 7.989 -0.199 -6.717 1.00 0.00 C ATOM 400 CD LYS A 667 8.049 1.290 -7.020 1.00 0.00 C ATOM 401 CE LYS A 667 8.067 2.113 -5.744 1.00 0.00 C ATOM 402 NZ LYS A 667 6.918 3.051 -5.674 1.00 0.00 N ATOM 0 H LYS A 667 7.718 -3.069 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 667 6.239 -1.785 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 667 6.855 -1.120 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 667 5.920 -0.064 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 667 8.057 -0.356 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 667 8.847 -0.698 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 667 8.940 1.508 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 667 7.189 1.575 -7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 667 8.045 1.447 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 667 8.999 2.676 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 6.994 3.630 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 6.924 3.670 -6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 6.030 2.511 -5.650 1.00 0.00 H new ATOM 416 N MET A 668 3.875 -2.126 -5.929 1.00 0.00 N ATOM 417 CA MET A 668 2.466 -2.387 -6.185 1.00 0.00 C ATOM 418 C MET A 668 1.733 -1.092 -6.523 1.00 0.00 C ATOM 419 O MET A 668 2.013 -0.040 -5.946 1.00 0.00 O ATOM 420 CB MET A 668 1.813 -3.063 -4.975 1.00 0.00 C ATOM 421 CG MET A 668 2.180 -2.434 -3.640 1.00 0.00 C ATOM 422 SD MET A 668 0.891 -1.350 -2.996 1.00 0.00 S ATOM 423 CE MET A 668 -0.096 -2.513 -2.061 1.00 0.00 C ATOM 0 H MET A 668 4.070 -1.732 -5.009 1.00 0.00 H new ATOM 0 HA MET A 668 2.396 -3.060 -7.039 1.00 0.00 H new ATOM 0 HB2 MET A 668 0.730 -3.030 -5.095 1.00 0.00 H new ATOM 0 HB3 MET A 668 2.100 -4.114 -4.961 1.00 0.00 H new ATOM 0 HG2 MET A 668 2.380 -3.223 -2.915 1.00 0.00 H new ATOM 0 HG3 MET A 668 3.103 -1.865 -3.754 1.00 0.00 H new ATOM 0 HE1 MET A 668 -1.038 -2.691 -2.580 1.00 0.00 H new ATOM 0 HE2 MET A 668 0.447 -3.453 -1.961 1.00 0.00 H new ATOM 0 HE3 MET A 668 -0.299 -2.105 -1.071 1.00 0.00 H new ATOM 433 N ASP A 669 0.810 -1.169 -7.468 1.00 0.00 N ATOM 434 CA ASP A 669 0.039 0.000 -7.883 1.00 0.00 C ATOM 435 C ASP A 669 -1.329 0.001 -7.218 1.00 0.00 C ATOM 436 O ASP A 669 -2.161 -0.863 -7.497 1.00 0.00 O ATOM 437 CB ASP A 669 -0.121 0.026 -9.407 1.00 0.00 C ATOM 438 CG ASP A 669 -0.970 1.190 -9.889 1.00 0.00 C ATOM 439 OD1 ASP A 669 -0.896 2.282 -9.290 1.00 0.00 O ATOM 440 OD2 ASP A 669 -1.704 1.019 -10.887 1.00 0.00 O ATOM 0 H ASP A 669 0.574 -2.028 -7.965 1.00 0.00 H new ATOM 0 HA ASP A 669 0.582 0.893 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 669 0.864 0.084 -9.870 1.00 0.00 H new ATOM 0 HB3 ASP A 669 -0.574 -0.909 -9.736 1.00 0.00 H new ATOM 445 N VAL A 670 -1.558 0.974 -6.348 1.00 0.00 N ATOM 446 CA VAL A 670 -2.799 1.045 -5.589 1.00 0.00 C ATOM 447 C VAL A 670 -3.892 1.740 -6.391 1.00 0.00 C ATOM 448 O VAL A 670 -3.991 2.968 -6.400 1.00 0.00 O ATOM 449 CB VAL A 670 -2.614 1.794 -4.251 1.00 0.00 C ATOM 450 CG1 VAL A 670 -3.648 1.340 -3.239 1.00 0.00 C ATOM 451 CG2 VAL A 670 -1.211 1.597 -3.704 1.00 0.00 C ATOM 0 H VAL A 670 -0.899 1.727 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 670 -3.092 0.016 -5.380 1.00 0.00 H new ATOM 0 HB VAL A 670 -2.756 2.858 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 670 -3.502 1.879 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 670 -4.647 1.545 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 670 -3.539 0.270 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 670 -1.109 2.135 -2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 670 -1.032 0.535 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 670 -0.484 1.979 -4.421 1.00 0.00 H new ATOM 461 N THR A 671 -4.712 0.944 -7.059 1.00 0.00 N ATOM 462 CA THR A 671 -5.829 1.472 -7.829 1.00 0.00 C ATOM 463 C THR A 671 -7.084 1.525 -6.971 1.00 0.00 C ATOM 464 O THR A 671 -7.438 0.552 -6.314 1.00 0.00 O ATOM 465 CB THR A 671 -6.082 0.619 -9.085 1.00 0.00 C ATOM 466 OG1 THR A 671 -4.858 -0.012 -9.491 1.00 0.00 O ATOM 467 CG2 THR A 671 -6.617 1.471 -10.226 1.00 0.00 C ATOM 0 H THR A 671 -4.625 -0.072 -7.084 1.00 0.00 H new ATOM 0 HA THR A 671 -5.574 2.483 -8.146 1.00 0.00 H new ATOM 0 HB THR A 671 -6.828 -0.138 -8.842 1.00 0.00 H new ATOM 0 HG1 THR A 671 -5.020 -0.556 -10.290 1.00 0.00 H new ATOM 0 HG21 THR A 671 -6.787 0.843 -11.101 1.00 0.00 H new ATOM 0 HG22 THR A 671 -7.556 1.935 -9.924 1.00 0.00 H new ATOM 0 HG23 THR A 671 -5.892 2.247 -10.472 1.00 0.00 H new ATOM 475 N VAL A 672 -7.742 2.670 -6.973 1.00 0.00 N ATOM 476 CA VAL A 672 -8.901 2.880 -6.120 1.00 0.00 C ATOM 477 C VAL A 672 -10.169 3.039 -6.948 1.00 0.00 C ATOM 478 O VAL A 672 -10.264 3.935 -7.790 1.00 0.00 O ATOM 479 CB VAL A 672 -8.725 4.120 -5.219 1.00 0.00 C ATOM 480 CG1 VAL A 672 -8.992 3.766 -3.765 1.00 0.00 C ATOM 481 CG2 VAL A 672 -7.337 4.719 -5.374 1.00 0.00 C ATOM 0 H VAL A 672 -7.495 3.470 -7.555 1.00 0.00 H new ATOM 0 HA VAL A 672 -8.992 1.997 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 672 -9.452 4.869 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 672 -8.863 4.653 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 672 -10.012 3.396 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 672 -8.292 2.994 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 672 -7.243 5.591 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 672 -6.588 3.978 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 672 -7.184 5.018 -6.411 1.00 0.00 H new ATOM 491 N ILE A 673 -11.139 2.170 -6.709 1.00 0.00 N ATOM 492 CA ILE A 673 -12.388 2.188 -7.459 1.00 0.00 C ATOM 493 C ILE A 673 -13.563 2.523 -6.545 1.00 0.00 C ATOM 494 O ILE A 673 -13.619 2.068 -5.406 1.00 0.00 O ATOM 495 CB ILE A 673 -12.665 0.834 -8.153 1.00 0.00 C ATOM 496 CG1 ILE A 673 -11.403 0.304 -8.833 1.00 0.00 C ATOM 497 CG2 ILE A 673 -13.788 0.981 -9.169 1.00 0.00 C ATOM 498 CD1 ILE A 673 -10.654 -0.709 -7.999 1.00 0.00 C ATOM 0 H ILE A 673 -11.086 1.440 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 673 -12.282 2.957 -8.224 1.00 0.00 H new ATOM 0 HB ILE A 673 -12.971 0.117 -7.391 1.00 0.00 H new ATOM 0 HG12 ILE A 673 -11.676 -0.151 -9.785 1.00 0.00 H new ATOM 0 HG13 ILE A 673 -10.741 1.140 -9.057 1.00 0.00 H new ATOM 0 HG21 ILE A 673 -13.972 0.020 -9.650 1.00 0.00 H new ATOM 0 HG22 ILE A 673 -14.695 1.313 -8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 673 -13.503 1.715 -9.923 1.00 0.00 H new ATOM 0 HD11 ILE A 673 -9.769 -1.044 -8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 673 -10.351 -0.252 -7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 673 -11.300 -1.563 -7.797 1.00 0.00 H new ATOM 510 N ASP A 674 -14.486 3.324 -7.052 1.00 0.00 N ATOM 511 CA ASP A 674 -15.695 3.684 -6.312 1.00 0.00 C ATOM 512 C ASP A 674 -16.695 2.527 -6.320 1.00 0.00 C ATOM 513 O ASP A 674 -16.669 1.684 -7.222 1.00 0.00 O ATOM 514 CB ASP A 674 -16.322 4.938 -6.927 1.00 0.00 C ATOM 515 CG ASP A 674 -17.659 5.304 -6.310 1.00 0.00 C ATOM 516 OD1 ASP A 674 -17.756 5.368 -5.066 1.00 0.00 O ATOM 517 OD2 ASP A 674 -18.617 5.549 -7.070 1.00 0.00 O ATOM 0 H ASP A 674 -14.424 3.743 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 674 -15.426 3.892 -5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 674 -15.634 5.775 -6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 674 -16.454 4.782 -7.998 1.00 0.00 H new ATOM 522 N THR A 675 -17.569 2.485 -5.323 1.00 0.00 N ATOM 523 CA THR A 675 -18.540 1.410 -5.198 1.00 0.00 C ATOM 524 C THR A 675 -19.628 1.523 -6.256 1.00 0.00 C ATOM 525 O THR A 675 -20.301 2.550 -6.359 1.00 0.00 O ATOM 526 CB THR A 675 -19.206 1.424 -3.811 1.00 0.00 C ATOM 527 OG1 THR A 675 -18.720 2.537 -3.048 1.00 0.00 O ATOM 528 CG2 THR A 675 -18.930 0.130 -3.061 1.00 0.00 C ATOM 0 H THR A 675 -17.624 3.188 -4.586 1.00 0.00 H new ATOM 0 HA THR A 675 -17.995 0.476 -5.335 1.00 0.00 H new ATOM 0 HB THR A 675 -20.283 1.519 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 675 -17.967 2.248 -2.492 1.00 0.00 H new ATOM 0 HG21 THR A 675 -19.412 0.166 -2.084 1.00 0.00 H new ATOM 0 HG22 THR A 675 -19.325 -0.712 -3.630 1.00 0.00 H new ATOM 0 HG23 THR A 675 -17.855 0.007 -2.931 1.00 0.00 H new ATOM 806 N TRP A 20 -21.712 -7.304 -2.063 1.00 0.00 N ATOM 807 CA TRP A 20 -20.711 -6.329 -2.489 1.00 0.00 C ATOM 808 C TRP A 20 -19.480 -7.038 -3.045 1.00 0.00 C ATOM 809 O TRP A 20 -19.532 -7.645 -4.114 1.00 0.00 O ATOM 810 CB TRP A 20 -20.324 -5.396 -1.328 1.00 0.00 C ATOM 811 CG TRP A 20 -21.482 -5.009 -0.457 1.00 0.00 C ATOM 812 CD1 TRP A 20 -22.627 -4.377 -0.848 1.00 0.00 C ATOM 813 CD2 TRP A 20 -21.604 -5.230 0.954 1.00 0.00 C ATOM 814 NE1 TRP A 20 -23.458 -4.199 0.232 1.00 0.00 N ATOM 815 CE2 TRP A 20 -22.852 -4.711 1.348 1.00 0.00 C ATOM 816 CE3 TRP A 20 -20.782 -5.818 1.921 1.00 0.00 C ATOM 817 CZ2 TRP A 20 -23.296 -4.763 2.667 1.00 0.00 C ATOM 818 CZ3 TRP A 20 -21.224 -5.866 3.230 1.00 0.00 C ATOM 819 CH2 TRP A 20 -22.470 -5.343 3.591 1.00 0.00 C ATOM 0 HA TRP A 20 -21.145 -5.718 -3.281 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -19.567 -5.887 -0.715 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -19.869 -4.493 -1.735 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -22.847 -4.063 -1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -24.377 -3.757 0.206 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -19.820 -6.227 1.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -24.257 -4.360 2.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -20.597 -6.315 3.986 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -22.787 -5.398 4.622 1.00 0.00 H new ATOM 830 N LYS A 21 -18.387 -6.965 -2.309 1.00 0.00 N ATOM 831 CA LYS A 21 -17.171 -7.667 -2.665 1.00 0.00 C ATOM 832 C LYS A 21 -16.614 -8.348 -1.426 1.00 0.00 C ATOM 833 O LYS A 21 -16.848 -7.891 -0.307 1.00 0.00 O ATOM 834 CB LYS A 21 -16.143 -6.699 -3.254 1.00 0.00 C ATOM 835 CG LYS A 21 -16.163 -6.624 -4.776 1.00 0.00 C ATOM 836 CD LYS A 21 -16.433 -7.981 -5.417 1.00 0.00 C ATOM 837 CE LYS A 21 -17.234 -7.833 -6.701 1.00 0.00 C ATOM 838 NZ LYS A 21 -17.908 -9.098 -7.090 1.00 0.00 N ATOM 0 H LYS A 21 -18.318 -6.419 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.394 -8.418 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.323 -5.703 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.147 -7.000 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.929 -5.916 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.207 -6.240 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.488 -8.480 -5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.977 -8.615 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.981 -7.050 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.572 -7.514 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.442 -8.950 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.195 -9.840 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.560 -9.390 -6.334 1.00 0.00 H new ATOM 852 N ARG A 22 -15.894 -9.437 -1.618 1.00 0.00 N ATOM 853 CA ARG A 22 -15.380 -10.197 -0.497 1.00 0.00 C ATOM 854 C ARG A 22 -13.929 -9.823 -0.224 1.00 0.00 C ATOM 855 O ARG A 22 -13.171 -9.515 -1.147 1.00 0.00 O ATOM 856 CB ARG A 22 -15.547 -11.699 -0.751 1.00 0.00 C ATOM 857 CG ARG A 22 -14.268 -12.419 -1.110 1.00 0.00 C ATOM 858 CD ARG A 22 -13.938 -13.498 -0.098 1.00 0.00 C ATOM 859 NE ARG A 22 -12.521 -13.831 -0.112 1.00 0.00 N ATOM 860 CZ ARG A 22 -12.045 -15.056 -0.305 1.00 0.00 C ATOM 861 NH1 ARG A 22 -12.877 -16.081 -0.450 1.00 0.00 N ATOM 862 NH2 ARG A 22 -10.737 -15.260 -0.333 1.00 0.00 N ATOM 0 H ARG A 22 -15.653 -9.813 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 22 -15.954 -9.950 0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.971 -12.161 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.267 -11.841 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.365 -12.864 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.448 -11.703 -1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.223 -13.162 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.524 -14.391 -0.313 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.851 -13.076 0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.885 -15.929 -0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.508 -17.020 -0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.096 -14.477 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.371 -16.200 -0.481 1.00 0.00 H new ATOM 876 N CYS A 23 -13.567 -9.836 1.052 1.00 0.00 N ATOM 877 CA CYS A 23 -12.244 -9.433 1.498 1.00 0.00 C ATOM 878 C CYS A 23 -11.130 -10.269 0.874 1.00 0.00 C ATOM 879 O CYS A 23 -11.333 -11.418 0.478 1.00 0.00 O ATOM 880 CB CYS A 23 -12.147 -9.558 3.011 1.00 0.00 C ATOM 881 SG CYS A 23 -12.887 -8.207 3.950 1.00 0.00 S ATOM 0 H CYS A 23 -14.186 -10.128 1.808 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.111 -8.399 1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.624 -10.491 3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.095 -9.634 3.285 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.017 -7.738 4.794 1.00 0.00 H new ATOM 886 N ALA A 24 -9.949 -9.676 0.812 1.00 0.00 N ATOM 887 CA ALA A 24 -8.757 -10.373 0.363 1.00 0.00 C ATOM 888 C ALA A 24 -7.717 -10.404 1.481 1.00 0.00 C ATOM 889 O ALA A 24 -6.770 -11.194 1.451 1.00 0.00 O ATOM 890 CB ALA A 24 -8.188 -9.711 -0.882 1.00 0.00 C ATOM 0 H ALA A 24 -9.791 -8.702 1.070 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.025 -11.398 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.295 -10.247 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.932 -9.734 -1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.929 -8.676 -0.658 1.00 0.00 H new ATOM 896 N GLY A 25 -7.907 -9.537 2.469 1.00 0.00 N ATOM 897 CA GLY A 25 -7.005 -9.469 3.598 1.00 0.00 C ATOM 898 C GLY A 25 -7.657 -9.906 4.899 1.00 0.00 C ATOM 899 O GLY A 25 -7.199 -10.859 5.529 1.00 0.00 O ATOM 0 H GLY A 25 -8.681 -8.873 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.137 -10.099 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.640 -8.447 3.705 1.00 0.00 H new ATOM 903 N CYS A 26 -8.717 -9.202 5.314 1.00 0.00 N ATOM 904 CA CYS A 26 -9.425 -9.553 6.547 1.00 0.00 C ATOM 905 C CYS A 26 -10.003 -10.963 6.453 1.00 0.00 C ATOM 906 O CYS A 26 -9.583 -11.869 7.175 1.00 0.00 O ATOM 907 CB CYS A 26 -10.553 -8.557 6.857 1.00 0.00 C ATOM 908 SG CYS A 26 -10.281 -6.864 6.235 1.00 0.00 S ATOM 0 H CYS A 26 -9.099 -8.396 4.820 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.698 -9.512 7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.481 -8.939 6.432 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.691 -8.513 7.937 1.00 0.00 H new ATOM 0 HG CYS A 26 -10.057 -6.903 4.955 1.00 0.00 H new ATOM 913 N GLY A 27 -10.969 -11.133 5.563 1.00 0.00 N ATOM 914 CA GLY A 27 -11.569 -12.434 5.362 1.00 0.00 C ATOM 915 C GLY A 27 -13.074 -12.420 5.548 1.00 0.00 C ATOM 916 O GLY A 27 -13.655 -13.394 6.034 1.00 0.00 O ATOM 0 H GLY A 27 -11.348 -10.391 4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.335 -12.786 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.127 -13.145 6.060 1.00 0.00 H new ATOM 920 N GLY A 28 -13.707 -11.322 5.164 1.00 0.00 N ATOM 921 CA GLY A 28 -15.145 -11.215 5.275 1.00 0.00 C ATOM 922 C GLY A 28 -15.757 -10.516 4.079 1.00 0.00 C ATOM 923 O GLY A 28 -15.466 -10.864 2.932 1.00 0.00 O ATOM 0 H GLY A 28 -13.246 -10.499 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.576 -12.211 5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.399 -10.668 6.183 1.00 0.00 H new ATOM 927 N LYS A 29 -16.614 -9.544 4.340 1.00 0.00 N ATOM 928 CA LYS A 29 -17.232 -8.763 3.281 1.00 0.00 C ATOM 929 C LYS A 29 -16.740 -7.325 3.334 1.00 0.00 C ATOM 930 O LYS A 29 -16.689 -6.715 4.404 1.00 0.00 O ATOM 931 CB LYS A 29 -18.758 -8.793 3.403 1.00 0.00 C ATOM 932 CG LYS A 29 -19.362 -10.178 3.217 1.00 0.00 C ATOM 933 CD LYS A 29 -20.494 -10.173 2.201 1.00 0.00 C ATOM 934 CE LYS A 29 -21.736 -9.473 2.737 1.00 0.00 C ATOM 935 NZ LYS A 29 -22.171 -10.024 4.052 1.00 0.00 N ATOM 0 H LYS A 29 -16.899 -9.275 5.282 1.00 0.00 H new ATOM 0 HA LYS A 29 -16.951 -9.204 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.042 -8.412 4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -19.186 -8.118 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -18.586 -10.871 2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -19.735 -10.543 4.174 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -20.162 -9.675 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -20.744 -11.199 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.534 -8.407 2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -22.547 -9.575 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.210 -10.054 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -21.792 -10.986 4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -21.815 -9.417 4.818 1.00 0.00 H new ATOM 949 N ILE A 30 -16.385 -6.786 2.183 1.00 0.00 N ATOM 950 CA ILE A 30 -15.890 -5.427 2.101 1.00 0.00 C ATOM 951 C ILE A 30 -17.037 -4.436 2.267 1.00 0.00 C ATOM 952 O ILE A 30 -17.897 -4.305 1.397 1.00 0.00 O ATOM 953 CB ILE A 30 -15.157 -5.187 0.762 1.00 0.00 C ATOM 954 CG1 ILE A 30 -13.824 -5.941 0.762 1.00 0.00 C ATOM 955 CG2 ILE A 30 -14.928 -3.701 0.519 1.00 0.00 C ATOM 956 CD1 ILE A 30 -13.275 -6.223 -0.619 1.00 0.00 C ATOM 0 H ILE A 30 -16.431 -7.273 1.288 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.175 -5.274 2.910 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.783 -5.563 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -13.090 -5.361 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -13.953 -6.886 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -14.410 -3.563 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.888 -3.185 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -14.322 -3.290 1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.330 -6.759 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -13.987 -6.831 -1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -13.111 -5.282 -1.145 1.00 0.00 H new ATOM 968 N ALA A 31 -17.048 -3.753 3.404 1.00 0.00 N ATOM 969 CA ALA A 31 -18.096 -2.794 3.709 1.00 0.00 C ATOM 970 C ALA A 31 -17.571 -1.368 3.611 1.00 0.00 C ATOM 971 O ALA A 31 -18.142 -0.440 4.186 1.00 0.00 O ATOM 972 CB ALA A 31 -18.670 -3.057 5.093 1.00 0.00 C ATOM 0 H ALA A 31 -16.339 -3.847 4.131 1.00 0.00 H new ATOM 0 HA ALA A 31 -18.892 -2.914 2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.454 -2.330 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.089 -4.063 5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.879 -2.967 5.838 1.00 0.00 H new ATOM 978 N ASP A 32 -16.478 -1.205 2.883 1.00 0.00 N ATOM 979 CA ASP A 32 -15.888 0.111 2.676 1.00 0.00 C ATOM 980 C ASP A 32 -16.571 0.793 1.499 1.00 0.00 C ATOM 981 O ASP A 32 -17.497 0.237 0.906 1.00 0.00 O ATOM 982 CB ASP A 32 -14.386 -0.006 2.405 1.00 0.00 C ATOM 983 CG ASP A 32 -13.562 -0.153 3.671 1.00 0.00 C ATOM 984 OD1 ASP A 32 -14.094 -0.655 4.684 1.00 0.00 O ATOM 985 OD2 ASP A 32 -12.369 0.210 3.653 1.00 0.00 O ATOM 0 H ASP A 32 -15.980 -1.968 2.424 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.031 0.705 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.205 -0.865 1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.051 0.877 1.861 1.00 0.00 H new ATOM 990 N ARG A 33 -16.127 1.989 1.157 1.00 0.00 N ATOM 991 CA ARG A 33 -16.675 2.690 0.010 1.00 0.00 C ATOM 992 C ARG A 33 -15.800 2.468 -1.213 1.00 0.00 C ATOM 993 O ARG A 33 -16.296 2.172 -2.296 1.00 0.00 O ATOM 994 CB ARG A 33 -16.814 4.185 0.295 1.00 0.00 C ATOM 995 CG ARG A 33 -18.034 4.812 -0.360 1.00 0.00 C ATOM 996 CD ARG A 33 -17.800 6.274 -0.688 1.00 0.00 C ATOM 997 NE ARG A 33 -17.781 6.525 -2.127 1.00 0.00 N ATOM 998 CZ ARG A 33 -17.482 7.702 -2.673 1.00 0.00 C ATOM 999 NH1 ARG A 33 -17.132 8.728 -1.905 1.00 0.00 N ATOM 1000 NH2 ARG A 33 -17.501 7.840 -3.991 1.00 0.00 N ATOM 0 H ARG A 33 -15.393 2.493 1.654 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.668 2.288 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.870 4.339 1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.918 4.699 -0.054 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.278 4.268 -1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -18.893 4.720 0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.582 6.877 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.853 6.594 -0.253 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.011 5.752 -2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.091 8.616 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.904 9.628 -2.328 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.744 7.046 -4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.273 8.740 -4.413 1.00 0.00 H new ATOM 1014 N PHE A 34 -14.499 2.610 -1.046 1.00 0.00 N ATOM 1015 CA PHE A 34 -13.592 2.462 -2.169 1.00 0.00 C ATOM 1016 C PHE A 34 -12.908 1.107 -2.164 1.00 0.00 C ATOM 1017 O PHE A 34 -12.465 0.619 -1.124 1.00 0.00 O ATOM 1018 CB PHE A 34 -12.570 3.595 -2.195 1.00 0.00 C ATOM 1019 CG PHE A 34 -12.972 4.692 -3.136 1.00 0.00 C ATOM 1020 CD1 PHE A 34 -14.167 5.367 -2.952 1.00 0.00 C ATOM 1021 CD2 PHE A 34 -12.173 5.033 -4.215 1.00 0.00 C ATOM 1022 CE1 PHE A 34 -14.558 6.361 -3.824 1.00 0.00 C ATOM 1023 CE2 PHE A 34 -12.557 6.030 -5.089 1.00 0.00 C ATOM 1024 CZ PHE A 34 -13.752 6.694 -4.895 1.00 0.00 C ATOM 0 H PHE A 34 -14.050 2.825 -0.156 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.186 2.520 -3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.455 4.003 -1.191 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.598 3.200 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.800 5.112 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.240 4.513 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.493 6.878 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.923 6.290 -5.924 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.056 7.472 -5.579 1.00 0.00 H new ATOM 1034 N LEU A 35 -12.853 0.503 -3.339 1.00 0.00 N ATOM 1035 CA LEU A 35 -12.195 -0.775 -3.523 1.00 0.00 C ATOM 1036 C LEU A 35 -10.761 -0.547 -3.968 1.00 0.00 C ATOM 1037 O LEU A 35 -10.484 0.350 -4.765 1.00 0.00 O ATOM 1038 CB LEU A 35 -12.942 -1.615 -4.560 1.00 0.00 C ATOM 1039 CG LEU A 35 -13.936 -2.619 -3.982 1.00 0.00 C ATOM 1040 CD1 LEU A 35 -15.367 -2.178 -4.251 1.00 0.00 C ATOM 1041 CD2 LEU A 35 -13.686 -3.996 -4.568 1.00 0.00 C ATOM 0 H LEU A 35 -13.264 0.886 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.197 -1.316 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.476 -0.944 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.212 -2.155 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.793 -2.665 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.058 -2.908 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.541 -1.206 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.529 -2.103 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.400 -4.705 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.805 -3.958 -5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.673 -4.316 -4.326 1.00 0.00 H new ATOM 1053 N LEU A 36 -9.857 -1.351 -3.456 1.00 0.00 N ATOM 1054 CA LEU A 36 -8.446 -1.146 -3.701 1.00 0.00 C ATOM 1055 C LEU A 36 -7.843 -2.296 -4.496 1.00 0.00 C ATOM 1056 O LEU A 36 -8.109 -3.466 -4.220 1.00 0.00 O ATOM 1057 CB LEU A 36 -7.705 -0.982 -2.373 1.00 0.00 C ATOM 1058 CG LEU A 36 -7.663 0.445 -1.823 1.00 0.00 C ATOM 1059 CD1 LEU A 36 -8.965 0.794 -1.119 1.00 0.00 C ATOM 1060 CD2 LEU A 36 -6.490 0.601 -0.877 1.00 0.00 C ATOM 0 H LEU A 36 -10.073 -2.155 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.337 -0.238 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.175 -1.627 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.682 -1.336 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.537 1.134 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.910 1.813 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.792 0.715 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.127 0.104 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.468 1.620 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.595 -0.100 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.562 0.395 -1.411 1.00 0.00 H new ATOM 1072 N TYR A 37 -7.053 -1.946 -5.495 1.00 0.00 N ATOM 1073 CA TYR A 37 -6.264 -2.907 -6.243 1.00 0.00 C ATOM 1074 C TYR A 37 -4.838 -2.875 -5.728 1.00 0.00 C ATOM 1075 O TYR A 37 -4.178 -1.839 -5.801 1.00 0.00 O ATOM 1076 CB TYR A 37 -6.264 -2.558 -7.729 1.00 0.00 C ATOM 1077 CG TYR A 37 -7.267 -3.329 -8.552 1.00 0.00 C ATOM 1078 CD1 TYR A 37 -7.357 -4.712 -8.471 1.00 0.00 C ATOM 1079 CD2 TYR A 37 -8.115 -2.665 -9.426 1.00 0.00 C ATOM 1080 CE1 TYR A 37 -8.272 -5.412 -9.237 1.00 0.00 C ATOM 1081 CE2 TYR A 37 -9.029 -3.353 -10.195 1.00 0.00 C ATOM 1082 CZ TYR A 37 -9.105 -4.725 -10.101 1.00 0.00 C ATOM 1083 OH TYR A 37 -10.016 -5.410 -10.873 1.00 0.00 O ATOM 0 H TYR A 37 -6.940 -0.983 -5.811 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.696 -3.900 -6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.465 -1.492 -7.839 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.267 -2.738 -8.132 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.703 -5.249 -7.800 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.058 -1.589 -9.505 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.335 -6.487 -9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.683 -2.819 -10.868 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.522 -4.775 -11.422 1.00 0.00 H new ATOM 1093 N ALA A 38 -4.377 -3.983 -5.178 1.00 0.00 N ATOM 1094 CA ALA A 38 -3.009 -4.064 -4.679 1.00 0.00 C ATOM 1095 C ALA A 38 -2.120 -4.851 -5.624 1.00 0.00 C ATOM 1096 O ALA A 38 -0.931 -4.569 -5.750 1.00 0.00 O ATOM 1097 CB ALA A 38 -2.981 -4.702 -3.306 1.00 0.00 C ATOM 0 H ALA A 38 -4.923 -4.837 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.625 -3.046 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.952 -4.754 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.575 -4.104 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.396 -5.708 -3.364 1.00 0.00 H new ATOM 1103 N MET A 39 -2.703 -5.833 -6.295 1.00 0.00 N ATOM 1104 CA MET A 39 -1.928 -6.743 -7.121 1.00 0.00 C ATOM 1105 C MET A 39 -2.822 -7.505 -8.094 1.00 0.00 C ATOM 1106 O MET A 39 -2.422 -7.780 -9.227 1.00 0.00 O ATOM 1107 CB MET A 39 -1.133 -7.715 -6.233 1.00 0.00 C ATOM 1108 CG MET A 39 -1.983 -8.686 -5.430 1.00 0.00 C ATOM 1109 SD MET A 39 -0.984 -9.865 -4.502 1.00 0.00 S ATOM 1110 CE MET A 39 -0.768 -8.983 -2.957 1.00 0.00 C ATOM 0 H MET A 39 -3.706 -6.019 -6.283 1.00 0.00 H new ATOM 0 HA MET A 39 -1.226 -6.155 -7.712 1.00 0.00 H new ATOM 0 HB2 MET A 39 -0.452 -8.286 -6.863 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.519 -7.136 -5.543 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.615 -8.127 -4.740 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.647 -9.227 -6.104 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.168 -9.290 -2.491 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.743 -7.911 -3.151 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.598 -9.211 -2.288 1.00 0.00 H new ATOM 1120 N ASP A 40 -4.042 -7.818 -7.660 1.00 0.00 N ATOM 1121 CA ASP A 40 -4.977 -8.595 -8.471 1.00 0.00 C ATOM 1122 C ASP A 40 -6.296 -8.783 -7.731 1.00 0.00 C ATOM 1123 O ASP A 40 -7.357 -8.885 -8.342 1.00 0.00 O ATOM 1124 CB ASP A 40 -4.368 -9.962 -8.837 1.00 0.00 C ATOM 1125 CG ASP A 40 -4.985 -11.132 -8.091 1.00 0.00 C ATOM 1126 OD1 ASP A 40 -4.706 -11.293 -6.881 1.00 0.00 O ATOM 1127 OD2 ASP A 40 -5.734 -11.910 -8.718 1.00 0.00 O ATOM 0 H ASP A 40 -4.407 -7.544 -6.748 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.172 -8.046 -9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.485 -10.125 -9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.298 -9.938 -8.633 1.00 0.00 H new ATOM 1132 N SER A 41 -6.226 -8.803 -6.409 1.00 0.00 N ATOM 1133 CA SER A 41 -7.392 -9.064 -5.592 1.00 0.00 C ATOM 1134 C SER A 41 -8.156 -7.778 -5.306 1.00 0.00 C ATOM 1135 O SER A 41 -7.640 -6.681 -5.528 1.00 0.00 O ATOM 1136 CB SER A 41 -6.933 -9.714 -4.292 1.00 0.00 C ATOM 1137 OG SER A 41 -5.519 -9.846 -4.289 1.00 0.00 O ATOM 0 H SER A 41 -5.369 -8.640 -5.881 1.00 0.00 H new ATOM 0 HA SER A 41 -8.068 -9.733 -6.124 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.252 -9.111 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.398 -10.693 -4.181 1.00 0.00 H new ATOM 0 HG SER A 41 -5.143 -9.318 -3.554 1.00 0.00 H new ATOM 1143 N TYR A 42 -9.382 -7.918 -4.827 1.00 0.00 N ATOM 1144 CA TYR A 42 -10.187 -6.770 -4.434 1.00 0.00 C ATOM 1145 C TYR A 42 -10.034 -6.524 -2.941 1.00 0.00 C ATOM 1146 O TYR A 42 -10.378 -7.382 -2.130 1.00 0.00 O ATOM 1147 CB TYR A 42 -11.664 -6.998 -4.768 1.00 0.00 C ATOM 1148 CG TYR A 42 -11.919 -7.442 -6.190 1.00 0.00 C ATOM 1149 CD1 TYR A 42 -11.349 -6.773 -7.267 1.00 0.00 C ATOM 1150 CD2 TYR A 42 -12.739 -8.531 -6.456 1.00 0.00 C ATOM 1151 CE1 TYR A 42 -11.586 -7.179 -8.565 1.00 0.00 C ATOM 1152 CE2 TYR A 42 -12.980 -8.943 -7.751 1.00 0.00 C ATOM 1153 CZ TYR A 42 -12.403 -8.264 -8.802 1.00 0.00 C ATOM 1154 OH TYR A 42 -12.644 -8.673 -10.094 1.00 0.00 O ATOM 0 H TYR A 42 -9.844 -8.819 -4.700 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.838 -5.899 -4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -12.067 -7.749 -4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -12.213 -6.074 -4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.710 -5.921 -7.085 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -13.196 -9.064 -5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -11.134 -6.649 -9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -13.618 -9.794 -7.940 1.00 0.00 H new ATOM 0 HH TYR A 42 -13.239 -9.452 -10.085 1.00 0.00 H new ATOM 1164 N TRP A 43 -9.499 -5.368 -2.582 1.00 0.00 N ATOM 1165 CA TRP A 43 -9.310 -5.021 -1.183 1.00 0.00 C ATOM 1166 C TRP A 43 -10.074 -3.747 -0.843 1.00 0.00 C ATOM 1167 O TRP A 43 -10.708 -3.139 -1.702 1.00 0.00 O ATOM 1168 CB TRP A 43 -7.822 -4.797 -0.845 1.00 0.00 C ATOM 1169 CG TRP A 43 -6.849 -5.690 -1.561 1.00 0.00 C ATOM 1170 CD1 TRP A 43 -6.570 -5.693 -2.894 1.00 0.00 C ATOM 1171 CD2 TRP A 43 -5.993 -6.681 -0.974 1.00 0.00 C ATOM 1172 NE1 TRP A 43 -5.616 -6.634 -3.178 1.00 0.00 N ATOM 1173 CE2 TRP A 43 -5.243 -7.253 -2.019 1.00 0.00 C ATOM 1174 CE3 TRP A 43 -5.793 -7.147 0.329 1.00 0.00 C ATOM 1175 CZ2 TRP A 43 -4.308 -8.259 -1.805 1.00 0.00 C ATOM 1176 CZ3 TRP A 43 -4.863 -8.150 0.540 1.00 0.00 C ATOM 1177 CH2 TRP A 43 -4.132 -8.695 -0.524 1.00 0.00 C ATOM 0 H TRP A 43 -9.188 -4.654 -3.241 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.686 -5.859 -0.596 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.569 -3.761 -1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.688 -4.932 0.228 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.035 -5.046 -3.623 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.244 -6.839 -4.105 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.353 -6.733 1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.742 -8.680 -2.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.698 -8.519 1.542 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.414 -9.477 -0.326 1.00 0.00 H new ATOM 1188 N HIS A 44 -10.029 -3.379 0.423 1.00 0.00 N ATOM 1189 CA HIS A 44 -10.474 -2.063 0.878 1.00 0.00 C ATOM 1190 C HIS A 44 -9.414 -1.511 1.824 1.00 0.00 C ATOM 1191 O HIS A 44 -8.370 -2.142 1.993 1.00 0.00 O ATOM 1192 CB HIS A 44 -11.857 -2.114 1.567 1.00 0.00 C ATOM 1193 CG HIS A 44 -12.007 -3.195 2.598 1.00 0.00 C ATOM 1194 ND1 HIS A 44 -12.819 -3.130 3.729 1.00 0.00 N ATOM 1195 CD2 HIS A 44 -11.419 -4.398 2.645 1.00 0.00 C ATOM 1196 CE1 HIS A 44 -12.674 -4.298 4.395 1.00 0.00 C ATOM 1197 NE2 HIS A 44 -11.833 -5.062 3.759 1.00 0.00 N ATOM 0 H HIS A 44 -9.683 -3.980 1.171 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.594 -1.410 0.014 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.047 -1.151 2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -12.623 -2.251 0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.724 -4.782 1.913 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.179 -4.557 5.314 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -11.536 -5.995 4.045 1.00 0.00 H new ATOM 1205 N SER A 45 -9.669 -0.374 2.454 1.00 0.00 N ATOM 1206 CA SER A 45 -8.686 0.227 3.349 1.00 0.00 C ATOM 1207 C SER A 45 -8.390 -0.683 4.538 1.00 0.00 C ATOM 1208 O SER A 45 -7.308 -0.630 5.121 1.00 0.00 O ATOM 1209 CB SER A 45 -9.180 1.581 3.838 1.00 0.00 C ATOM 1210 OG SER A 45 -9.779 2.315 2.782 1.00 0.00 O ATOM 0 H SER A 45 -10.540 0.149 2.365 1.00 0.00 H new ATOM 0 HA SER A 45 -7.761 0.363 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.902 1.440 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.347 2.148 4.253 1.00 0.00 H new ATOM 0 HG SER A 45 -9.369 3.203 2.727 1.00 0.00 H new ATOM 1216 N ARG A 46 -9.358 -1.522 4.885 1.00 0.00 N ATOM 1217 CA ARG A 46 -9.193 -2.458 5.984 1.00 0.00 C ATOM 1218 C ARG A 46 -8.446 -3.716 5.530 1.00 0.00 C ATOM 1219 O ARG A 46 -7.733 -4.340 6.314 1.00 0.00 O ATOM 1220 CB ARG A 46 -10.557 -2.838 6.559 1.00 0.00 C ATOM 1221 CG ARG A 46 -10.696 -2.545 8.040 1.00 0.00 C ATOM 1222 CD ARG A 46 -9.835 -3.486 8.864 1.00 0.00 C ATOM 1223 NE ARG A 46 -9.834 -3.125 10.277 1.00 0.00 N ATOM 1224 CZ ARG A 46 -10.501 -3.793 11.218 1.00 0.00 C ATOM 1225 NH1 ARG A 46 -11.248 -4.842 10.891 1.00 0.00 N ATOM 1226 NH2 ARG A 46 -10.438 -3.398 12.483 1.00 0.00 N ATOM 0 H ARG A 46 -10.264 -1.572 4.420 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.600 -1.971 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.333 -2.299 6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.730 -3.901 6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.406 -1.513 8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.740 -2.646 8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.201 -4.506 8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.813 -3.470 8.484 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.289 -2.311 10.563 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.312 -5.139 9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.757 -5.351 11.614 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.879 -2.583 12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.949 -3.909 13.203 1.00 0.00 H new ATOM 1240 N CYS A 47 -8.612 -4.085 4.262 1.00 0.00 N ATOM 1241 CA CYS A 47 -7.938 -5.259 3.714 1.00 0.00 C ATOM 1242 C CYS A 47 -6.497 -4.930 3.380 1.00 0.00 C ATOM 1243 O CYS A 47 -5.573 -5.609 3.829 1.00 0.00 O ATOM 1244 CB CYS A 47 -8.632 -5.744 2.439 1.00 0.00 C ATOM 1245 SG CYS A 47 -9.622 -7.257 2.641 1.00 0.00 S ATOM 0 H CYS A 47 -9.206 -3.590 3.597 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.978 -6.044 4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.280 -4.949 2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.875 -5.920 1.674 1.00 0.00 H new ATOM 0 HG CYS A 47 -10.853 -7.019 2.297 1.00 0.00 H new ATOM 1250 N LEU A 48 -6.327 -3.882 2.591 1.00 0.00 N ATOM 1251 CA LEU A 48 -5.026 -3.485 2.109 1.00 0.00 C ATOM 1252 C LEU A 48 -4.234 -2.792 3.203 1.00 0.00 C ATOM 1253 O LEU A 48 -4.244 -1.566 3.326 1.00 0.00 O ATOM 1254 CB LEU A 48 -5.176 -2.570 0.896 1.00 0.00 C ATOM 1255 CG LEU A 48 -4.406 -3.003 -0.354 1.00 0.00 C ATOM 1256 CD1 LEU A 48 -3.574 -1.851 -0.875 1.00 0.00 C ATOM 1257 CD2 LEU A 48 -3.523 -4.216 -0.074 1.00 0.00 C ATOM 0 H LEU A 48 -7.090 -3.286 2.270 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.478 -4.379 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.234 -2.500 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.848 -1.569 1.175 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.131 -3.292 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.030 -2.168 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.227 -1.016 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.865 -1.538 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.991 -4.496 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.803 -3.970 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.144 -5.050 0.255 1.00 0.00 H new ATOM 1269 N LYS A 49 -3.562 -3.591 4.001 1.00 0.00 N ATOM 1270 CA LYS A 49 -2.719 -3.080 5.054 1.00 0.00 C ATOM 1271 C LYS A 49 -1.433 -3.874 5.105 1.00 0.00 C ATOM 1272 O LYS A 49 -1.332 -4.954 4.519 1.00 0.00 O ATOM 1273 CB LYS A 49 -3.424 -3.145 6.418 1.00 0.00 C ATOM 1274 CG LYS A 49 -4.501 -4.207 6.514 1.00 0.00 C ATOM 1275 CD LYS A 49 -3.936 -5.532 6.997 1.00 0.00 C ATOM 1276 CE LYS A 49 -5.021 -6.420 7.586 1.00 0.00 C ATOM 1277 NZ LYS A 49 -6.212 -6.512 6.701 1.00 0.00 N ATOM 0 H LYS A 49 -3.585 -4.609 3.938 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.500 -2.034 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.678 -3.330 7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.869 -2.173 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.283 -3.873 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.967 -4.343 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.454 -6.047 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.167 -5.349 7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.619 -7.419 7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.322 -6.028 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.641 -7.455 6.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.906 -5.788 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.924 -6.358 5.714 1.00 0.00 H new ATOM 1291 N CYS A 50 -0.461 -3.329 5.799 1.00 0.00 N ATOM 1292 CA CYS A 50 0.811 -3.983 5.977 1.00 0.00 C ATOM 1293 C CYS A 50 0.645 -5.222 6.844 1.00 0.00 C ATOM 1294 O CYS A 50 -0.037 -5.188 7.872 1.00 0.00 O ATOM 1295 CB CYS A 50 1.775 -3.001 6.622 1.00 0.00 C ATOM 1296 SG CYS A 50 3.470 -3.606 6.868 1.00 0.00 S ATOM 0 H CYS A 50 -0.532 -2.420 6.255 1.00 0.00 H new ATOM 0 HA CYS A 50 1.207 -4.299 5.012 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.816 -2.103 6.006 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.370 -2.706 7.590 1.00 0.00 H new ATOM 0 HG CYS A 50 4.286 -2.596 6.932 1.00 0.00 H new ATOM 1301 N SER A 51 1.265 -6.312 6.431 1.00 0.00 N ATOM 1302 CA SER A 51 1.179 -7.559 7.172 1.00 0.00 C ATOM 1303 C SER A 51 2.105 -7.524 8.388 1.00 0.00 C ATOM 1304 O SER A 51 2.048 -8.401 9.252 1.00 0.00 O ATOM 1305 CB SER A 51 1.532 -8.743 6.265 1.00 0.00 C ATOM 1306 OG SER A 51 1.076 -8.521 4.938 1.00 0.00 O ATOM 0 H SER A 51 1.834 -6.360 5.586 1.00 0.00 H new ATOM 0 HA SER A 51 0.154 -7.683 7.523 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.611 -8.894 6.262 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.083 -9.655 6.660 1.00 0.00 H new ATOM 0 HG SER A 51 1.546 -7.751 4.555 1.00 0.00 H new ATOM 1312 N SER A 52 2.940 -6.495 8.465 1.00 0.00 N ATOM 1313 CA SER A 52 3.923 -6.404 9.529 1.00 0.00 C ATOM 1314 C SER A 52 3.475 -5.454 10.642 1.00 0.00 C ATOM 1315 O SER A 52 3.437 -5.847 11.811 1.00 0.00 O ATOM 1316 CB SER A 52 5.264 -5.961 8.950 1.00 0.00 C ATOM 1317 OG SER A 52 5.184 -5.825 7.541 1.00 0.00 O ATOM 0 H SER A 52 2.954 -5.717 7.805 1.00 0.00 H new ATOM 0 HA SER A 52 4.029 -7.392 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.562 -5.012 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.034 -6.689 9.206 1.00 0.00 H new ATOM 0 HG SER A 52 4.837 -4.936 7.317 1.00 0.00 H new ATOM 1323 N CYS A 53 3.097 -4.223 10.293 1.00 0.00 N ATOM 1324 CA CYS A 53 2.724 -3.249 11.315 1.00 0.00 C ATOM 1325 C CYS A 53 1.214 -3.043 11.363 1.00 0.00 C ATOM 1326 O CYS A 53 0.695 -2.410 12.282 1.00 0.00 O ATOM 1327 CB CYS A 53 3.458 -1.912 11.112 1.00 0.00 C ATOM 1328 SG CYS A 53 3.098 -1.031 9.553 1.00 0.00 S ATOM 0 H CYS A 53 3.042 -3.884 9.333 1.00 0.00 H new ATOM 0 HA CYS A 53 3.034 -3.655 12.278 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.209 -1.254 11.944 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.531 -2.098 11.162 1.00 0.00 H new ATOM 0 HG CYS A 53 3.226 -1.850 8.552 1.00 0.00 H new ATOM 1333 N GLN A 54 0.522 -3.593 10.368 1.00 0.00 N ATOM 1334 CA GLN A 54 -0.935 -3.554 10.300 1.00 0.00 C ATOM 1335 C GLN A 54 -1.469 -2.129 10.204 1.00 0.00 C ATOM 1336 O GLN A 54 -2.588 -1.846 10.633 1.00 0.00 O ATOM 1337 CB GLN A 54 -1.551 -4.263 11.504 1.00 0.00 C ATOM 1338 CG GLN A 54 -2.424 -5.444 11.121 1.00 0.00 C ATOM 1339 CD GLN A 54 -3.908 -5.136 11.215 1.00 0.00 C ATOM 1340 OE1 GLN A 54 -4.631 -5.750 11.996 1.00 0.00 O ATOM 1341 NE2 GLN A 54 -4.369 -4.178 10.425 1.00 0.00 N ATOM 0 H GLN A 54 0.958 -4.079 9.585 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.224 -4.077 9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.753 -4.608 12.162 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.147 -3.549 12.072 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.185 -5.751 10.103 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.191 -6.288 11.771 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.736 -3.692 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.357 -3.927 10.452 1.00 0.00 H new ATOM 1350 N ALA A 55 -0.667 -1.236 9.650 1.00 0.00 N ATOM 1351 CA ALA A 55 -1.119 0.119 9.379 1.00 0.00 C ATOM 1352 C ALA A 55 -2.012 0.116 8.151 1.00 0.00 C ATOM 1353 O ALA A 55 -1.902 -0.782 7.312 1.00 0.00 O ATOM 1354 CB ALA A 55 0.069 1.046 9.171 1.00 0.00 C ATOM 0 H ALA A 55 0.298 -1.423 9.379 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.687 0.485 10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.288 2.056 8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.687 1.052 10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.661 0.695 8.326 1.00 0.00 H new ATOM 1360 N GLN A 56 -2.891 1.108 8.039 1.00 0.00 N ATOM 1361 CA GLN A 56 -3.776 1.215 6.885 1.00 0.00 C ATOM 1362 C GLN A 56 -2.987 1.679 5.669 1.00 0.00 C ATOM 1363 O GLN A 56 -3.188 2.776 5.148 1.00 0.00 O ATOM 1364 CB GLN A 56 -4.938 2.167 7.178 1.00 0.00 C ATOM 1365 CG GLN A 56 -6.178 1.453 7.691 1.00 0.00 C ATOM 1366 CD GLN A 56 -7.408 2.341 7.733 1.00 0.00 C ATOM 1367 OE1 GLN A 56 -7.380 3.446 7.003 1.00 0.00 O flip ATOM 1368 NE2 GLN A 56 -8.382 2.032 8.418 1.00 0.00 N flip ATOM 0 H GLN A 56 -3.009 1.847 8.732 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.197 0.232 6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.619 2.904 7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.190 2.713 6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.382 0.592 7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.980 1.070 8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.367 1.173 8.967 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.204 2.635 8.437 1.00 0.00 H new ATOM 1377 N LEU A 57 -2.105 0.801 5.225 1.00 0.00 N ATOM 1378 CA LEU A 57 -1.118 1.097 4.206 1.00 0.00 C ATOM 1379 C LEU A 57 -1.757 1.362 2.843 1.00 0.00 C ATOM 1380 O LEU A 57 -1.182 2.053 2.003 1.00 0.00 O ATOM 1381 CB LEU A 57 -0.148 -0.091 4.144 1.00 0.00 C ATOM 1382 CG LEU A 57 0.590 -0.291 2.829 1.00 0.00 C ATOM 1383 CD1 LEU A 57 1.755 0.674 2.738 1.00 0.00 C ATOM 1384 CD2 LEU A 57 1.071 -1.728 2.709 1.00 0.00 C ATOM 0 H LEU A 57 -2.055 -0.157 5.571 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.587 2.012 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.591 0.029 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.707 -1.001 4.365 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.093 -0.089 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.278 0.525 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.384 1.698 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.441 0.495 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.598 -1.858 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.746 -1.956 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.215 -2.402 2.743 1.00 0.00 H new ATOM 1396 N GLY A 58 -2.962 0.850 2.644 1.00 0.00 N ATOM 1397 CA GLY A 58 -3.645 1.044 1.382 1.00 0.00 C ATOM 1398 C GLY A 58 -4.273 2.418 1.263 1.00 0.00 C ATOM 1399 O GLY A 58 -4.535 2.900 0.159 1.00 0.00 O ATOM 0 H GLY A 58 -3.479 0.304 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.938 0.900 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.419 0.284 1.272 1.00 0.00 H new ATOM 1403 N ASP A 59 -4.507 3.062 2.398 1.00 0.00 N ATOM 1404 CA ASP A 59 -5.156 4.370 2.408 1.00 0.00 C ATOM 1405 C ASP A 59 -4.121 5.481 2.398 1.00 0.00 C ATOM 1406 O ASP A 59 -4.433 6.647 2.628 1.00 0.00 O ATOM 1407 CB ASP A 59 -6.084 4.510 3.622 1.00 0.00 C ATOM 1408 CG ASP A 59 -7.384 5.225 3.287 1.00 0.00 C ATOM 1409 OD1 ASP A 59 -8.326 4.563 2.798 1.00 0.00 O ATOM 1410 OD2 ASP A 59 -7.476 6.448 3.523 1.00 0.00 O ATOM 0 H ASP A 59 -4.259 2.704 3.321 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.761 4.455 1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.310 3.520 4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.566 5.057 4.409 1.00 0.00 H new ATOM 1415 N ILE A 60 -2.885 5.105 2.112 1.00 0.00 N ATOM 1416 CA ILE A 60 -1.791 6.055 2.005 1.00 0.00 C ATOM 1417 C ILE A 60 -1.019 5.809 0.716 1.00 0.00 C ATOM 1418 O ILE A 60 -0.831 4.662 0.307 1.00 0.00 O ATOM 1419 CB ILE A 60 -0.810 5.962 3.198 1.00 0.00 C ATOM 1420 CG1 ILE A 60 -1.524 5.492 4.468 1.00 0.00 C ATOM 1421 CG2 ILE A 60 -0.138 7.305 3.437 1.00 0.00 C ATOM 1422 CD1 ILE A 60 -0.605 4.808 5.458 1.00 0.00 C ATOM 0 H ILE A 60 -2.613 4.136 1.948 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.233 7.052 2.007 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.047 5.225 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.992 6.350 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.324 4.805 4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.549 7.223 4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.415 7.599 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.896 8.057 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.177 4.501 6.334 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.156 3.931 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.181 5.499 5.762 1.00 0.00 H new ATOM 1434 N GLY A 61 -0.592 6.883 0.069 1.00 0.00 N ATOM 1435 CA GLY A 61 0.211 6.758 -1.134 1.00 0.00 C ATOM 1436 C GLY A 61 1.648 6.381 -0.825 1.00 0.00 C ATOM 1437 O GLY A 61 2.572 7.153 -1.080 1.00 0.00 O ATOM 0 H GLY A 61 -0.787 7.842 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.229 6.004 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.194 7.701 -1.680 1.00 0.00 H new ATOM 1441 N THR A 62 1.827 5.195 -0.268 1.00 0.00 N ATOM 1442 CA THR A 62 3.139 4.711 0.135 1.00 0.00 C ATOM 1443 C THR A 62 3.743 3.813 -0.941 1.00 0.00 C ATOM 1444 O THR A 62 3.016 3.199 -1.726 1.00 0.00 O ATOM 1445 CB THR A 62 3.036 3.925 1.462 1.00 0.00 C ATOM 1446 OG1 THR A 62 1.984 4.477 2.271 1.00 0.00 O ATOM 1447 CG2 THR A 62 4.350 3.969 2.232 1.00 0.00 C ATOM 0 H THR A 62 1.068 4.540 -0.082 1.00 0.00 H new ATOM 0 HA THR A 62 3.787 5.576 0.275 1.00 0.00 H new ATOM 0 HB THR A 62 2.813 2.885 1.225 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.920 3.976 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.247 3.408 3.161 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.141 3.527 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.603 5.004 2.460 1.00 0.00 H new ATOM 1455 N SER A 63 5.068 3.745 -0.987 1.00 0.00 N ATOM 1456 CA SER A 63 5.753 2.841 -1.895 1.00 0.00 C ATOM 1457 C SER A 63 5.824 1.444 -1.287 1.00 0.00 C ATOM 1458 O SER A 63 6.897 0.961 -0.932 1.00 0.00 O ATOM 1459 CB SER A 63 7.159 3.358 -2.199 1.00 0.00 C ATOM 1460 OG SER A 63 7.142 4.296 -3.263 1.00 0.00 O ATOM 0 H SER A 63 5.688 4.307 -0.404 1.00 0.00 H new ATOM 0 HA SER A 63 5.193 2.791 -2.829 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.579 3.823 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.809 2.522 -2.458 1.00 0.00 H new ATOM 0 HG SER A 63 8.054 4.612 -3.435 1.00 0.00 H new ATOM 1466 N SER A 64 4.666 0.821 -1.149 1.00 0.00 N ATOM 1467 CA SER A 64 4.567 -0.511 -0.583 1.00 0.00 C ATOM 1468 C SER A 64 5.122 -1.548 -1.550 1.00 0.00 C ATOM 1469 O SER A 64 5.078 -1.365 -2.771 1.00 0.00 O ATOM 1470 CB SER A 64 3.108 -0.819 -0.262 1.00 0.00 C ATOM 1471 OG SER A 64 2.268 0.248 -0.679 1.00 0.00 O ATOM 0 H SER A 64 3.771 1.224 -1.426 1.00 0.00 H new ATOM 0 HA SER A 64 5.156 -0.551 0.333 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.808 -1.741 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.992 -0.982 0.809 1.00 0.00 H new ATOM 0 HG SER A 64 1.731 -0.039 -1.447 1.00 0.00 H new ATOM 1477 N TYR A 65 5.636 -2.633 -0.999 1.00 0.00 N ATOM 1478 CA TYR A 65 6.218 -3.689 -1.801 1.00 0.00 C ATOM 1479 C TYR A 65 5.532 -5.008 -1.505 1.00 0.00 C ATOM 1480 O TYR A 65 5.051 -5.236 -0.391 1.00 0.00 O ATOM 1481 CB TYR A 65 7.721 -3.809 -1.531 1.00 0.00 C ATOM 1482 CG TYR A 65 8.475 -2.504 -1.663 1.00 0.00 C ATOM 1483 CD1 TYR A 65 8.714 -1.938 -2.908 1.00 0.00 C ATOM 1484 CD2 TYR A 65 8.952 -1.844 -0.541 1.00 0.00 C ATOM 1485 CE1 TYR A 65 9.412 -0.751 -3.029 1.00 0.00 C ATOM 1486 CE2 TYR A 65 9.650 -0.656 -0.654 1.00 0.00 C ATOM 1487 CZ TYR A 65 9.877 -0.114 -1.900 1.00 0.00 C ATOM 1488 OH TYR A 65 10.577 1.067 -2.016 1.00 0.00 O ATOM 0 H TYR A 65 5.661 -2.804 0.006 1.00 0.00 H new ATOM 0 HA TYR A 65 6.074 -3.440 -2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.869 -4.202 -0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.147 -4.535 -2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.349 -2.433 -3.796 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.775 -2.265 0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.592 -0.325 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.016 -0.155 0.230 1.00 0.00 H new ATOM 0 HH TYR A 65 10.832 1.385 -1.125 1.00 0.00 H new ATOM 1498 N THR A 66 5.476 -5.867 -2.501 1.00 0.00 N ATOM 1499 CA THR A 66 4.868 -7.168 -2.341 1.00 0.00 C ATOM 1500 C THR A 66 5.901 -8.268 -2.581 1.00 0.00 C ATOM 1501 O THR A 66 6.738 -8.167 -3.481 1.00 0.00 O ATOM 1502 CB THR A 66 3.638 -7.320 -3.277 1.00 0.00 C ATOM 1503 OG1 THR A 66 2.460 -7.552 -2.497 1.00 0.00 O ATOM 1504 CG2 THR A 66 3.808 -8.448 -4.284 1.00 0.00 C ATOM 0 H THR A 66 5.847 -5.685 -3.434 1.00 0.00 H new ATOM 0 HA THR A 66 4.509 -7.265 -1.316 1.00 0.00 H new ATOM 0 HB THR A 66 3.545 -6.390 -3.838 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.703 -8.015 -1.668 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.920 -8.511 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.681 -8.251 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.945 -9.391 -3.755 1.00 0.00 H new ATOM 1512 N LYS A 67 5.860 -9.296 -1.744 1.00 0.00 N ATOM 1513 CA LYS A 67 6.773 -10.422 -1.861 1.00 0.00 C ATOM 1514 C LYS A 67 6.161 -11.646 -1.202 1.00 0.00 C ATOM 1515 O LYS A 67 5.626 -11.555 -0.097 1.00 0.00 O ATOM 1516 CB LYS A 67 8.120 -10.092 -1.208 1.00 0.00 C ATOM 1517 CG LYS A 67 9.319 -10.667 -1.948 1.00 0.00 C ATOM 1518 CD LYS A 67 10.207 -11.476 -1.017 1.00 0.00 C ATOM 1519 CE LYS A 67 11.565 -11.753 -1.642 1.00 0.00 C ATOM 1520 NZ LYS A 67 11.585 -13.045 -2.380 1.00 0.00 N ATOM 0 H LYS A 67 5.198 -9.372 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 67 6.944 -10.628 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.228 -9.009 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.120 -10.471 -0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.975 -11.299 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.897 -9.857 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.340 -10.936 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.718 -12.419 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.823 -10.942 -2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.327 -11.769 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.529 -13.196 -2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.364 -13.822 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.876 -13.021 -3.141 1.00 0.00 H new ATOM 1534 N SER A 68 6.219 -12.777 -1.898 1.00 0.00 N ATOM 1535 CA SER A 68 5.676 -14.038 -1.393 1.00 0.00 C ATOM 1536 C SER A 68 4.189 -13.902 -1.055 1.00 0.00 C ATOM 1537 O SER A 68 3.695 -14.480 -0.082 1.00 0.00 O ATOM 1538 CB SER A 68 6.484 -14.504 -0.174 1.00 0.00 C ATOM 1539 OG SER A 68 7.879 -14.348 -0.408 1.00 0.00 O ATOM 0 H SER A 68 6.641 -12.848 -2.824 1.00 0.00 H new ATOM 0 HA SER A 68 5.762 -14.793 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.191 -13.929 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.260 -15.549 0.039 1.00 0.00 H new ATOM 0 HG SER A 68 8.378 -14.648 0.380 1.00 0.00 H new ATOM 1545 N GLY A 69 3.483 -13.122 -1.869 1.00 0.00 N ATOM 1546 CA GLY A 69 2.059 -12.924 -1.677 1.00 0.00 C ATOM 1547 C GLY A 69 1.741 -12.113 -0.437 1.00 0.00 C ATOM 1548 O GLY A 69 0.621 -12.163 0.071 1.00 0.00 O ATOM 0 H GLY A 69 3.877 -12.620 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.646 -12.420 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.568 -13.895 -1.607 1.00 0.00 H new ATOM 1552 N MET A 70 2.724 -11.383 0.068 1.00 0.00 N ATOM 1553 CA MET A 70 2.526 -10.551 1.247 1.00 0.00 C ATOM 1554 C MET A 70 2.594 -9.077 0.875 1.00 0.00 C ATOM 1555 O MET A 70 3.274 -8.699 -0.081 1.00 0.00 O ATOM 1556 CB MET A 70 3.576 -10.873 2.316 1.00 0.00 C ATOM 1557 CG MET A 70 3.057 -11.772 3.427 1.00 0.00 C ATOM 1558 SD MET A 70 4.085 -11.712 4.911 1.00 0.00 S ATOM 1559 CE MET A 70 5.565 -12.536 4.325 1.00 0.00 C ATOM 0 H MET A 70 3.667 -11.349 -0.319 1.00 0.00 H new ATOM 0 HA MET A 70 1.538 -10.765 1.654 1.00 0.00 H new ATOM 0 HB2 MET A 70 4.431 -11.354 1.841 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.936 -9.941 2.752 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.040 -11.476 3.683 1.00 0.00 H new ATOM 0 HG3 MET A 70 3.009 -12.799 3.065 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.300 -12.579 5.129 1.00 0.00 H new ATOM 0 HE2 MET A 70 5.316 -13.548 4.006 1.00 0.00 H new ATOM 0 HE3 MET A 70 5.980 -11.982 3.483 1.00 0.00 H new ATOM 1569 N ILE A 71 1.884 -8.252 1.626 1.00 0.00 N ATOM 1570 CA ILE A 71 1.861 -6.816 1.386 1.00 0.00 C ATOM 1571 C ILE A 71 2.458 -6.089 2.578 1.00 0.00 C ATOM 1572 O ILE A 71 1.902 -6.118 3.677 1.00 0.00 O ATOM 1573 CB ILE A 71 0.430 -6.286 1.127 1.00 0.00 C ATOM 1574 CG1 ILE A 71 -0.594 -7.426 1.162 1.00 0.00 C ATOM 1575 CG2 ILE A 71 0.374 -5.568 -0.211 1.00 0.00 C ATOM 1576 CD1 ILE A 71 -1.290 -7.569 2.497 1.00 0.00 C ATOM 0 H ILE A 71 1.311 -8.554 2.414 1.00 0.00 H new ATOM 0 HA ILE A 71 2.452 -6.627 0.490 1.00 0.00 H new ATOM 0 HB ILE A 71 0.178 -5.581 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.342 -7.256 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.092 -8.363 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.637 -5.199 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.070 -4.729 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.649 -6.260 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.001 -8.394 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.551 -7.770 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.821 -6.646 2.731 1.00 0.00 H new ATOM 1588 N LEU A 72 3.600 -5.461 2.360 1.00 0.00 N ATOM 1589 CA LEU A 72 4.339 -4.818 3.435 1.00 0.00 C ATOM 1590 C LEU A 72 4.583 -3.353 3.102 1.00 0.00 C ATOM 1591 O LEU A 72 4.696 -2.994 1.925 1.00 0.00 O ATOM 1592 CB LEU A 72 5.679 -5.533 3.630 1.00 0.00 C ATOM 1593 CG LEU A 72 5.710 -6.596 4.733 1.00 0.00 C ATOM 1594 CD1 LEU A 72 4.791 -7.762 4.412 1.00 0.00 C ATOM 1595 CD2 LEU A 72 7.128 -7.093 4.945 1.00 0.00 C ATOM 0 H LEU A 72 4.039 -5.382 1.443 1.00 0.00 H new ATOM 0 HA LEU A 72 3.756 -4.877 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.959 -6.005 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.441 -4.785 3.850 1.00 0.00 H new ATOM 0 HG LEU A 72 5.351 -6.130 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.839 -8.496 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.767 -7.401 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.106 -8.227 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.135 -7.848 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.503 -7.530 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.766 -6.259 5.237 1.00 0.00 H new ATOM 1607 N CYS A 73 4.654 -2.503 4.125 1.00 0.00 N ATOM 1608 CA CYS A 73 4.970 -1.105 3.898 1.00 0.00 C ATOM 1609 C CYS A 73 6.447 -0.955 3.528 1.00 0.00 C ATOM 1610 O CYS A 73 7.237 -1.891 3.695 1.00 0.00 O ATOM 1611 CB CYS A 73 4.580 -0.225 5.107 1.00 0.00 C ATOM 1612 SG CYS A 73 5.577 -0.441 6.623 1.00 0.00 S ATOM 0 H CYS A 73 4.499 -2.757 5.101 1.00 0.00 H new ATOM 0 HA CYS A 73 4.373 -0.748 3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.642 0.820 4.803 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.537 -0.424 5.353 1.00 0.00 H new ATOM 0 HG CYS A 73 4.789 -0.662 7.633 1.00 0.00 H new ATOM 1617 N ARG A 74 6.798 0.222 3.028 1.00 0.00 N ATOM 1618 CA ARG A 74 8.113 0.480 2.442 1.00 0.00 C ATOM 1619 C ARG A 74 9.257 0.025 3.349 1.00 0.00 C ATOM 1620 O ARG A 74 10.122 -0.750 2.939 1.00 0.00 O ATOM 1621 CB ARG A 74 8.255 1.972 2.145 1.00 0.00 C ATOM 1622 CG ARG A 74 9.265 2.290 1.060 1.00 0.00 C ATOM 1623 CD ARG A 74 10.095 3.511 1.412 1.00 0.00 C ATOM 1624 NE ARG A 74 11.525 3.219 1.401 1.00 0.00 N ATOM 1625 CZ ARG A 74 12.427 3.882 2.116 1.00 0.00 C ATOM 1626 NH1 ARG A 74 12.050 4.872 2.919 1.00 0.00 N ATOM 1627 NH2 ARG A 74 13.705 3.550 2.026 1.00 0.00 N ATOM 0 H ARG A 74 6.177 1.031 3.016 1.00 0.00 H new ATOM 0 HA ARG A 74 8.180 -0.099 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.283 2.368 1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.545 2.488 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.922 1.433 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.746 2.461 0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.882 4.311 0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.806 3.874 2.398 1.00 0.00 H new ATOM 0 HE ARG A 74 11.852 2.458 0.807 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.064 5.125 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.746 5.378 3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.992 2.789 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.403 4.055 2.572 1.00 0.00 H new ATOM 1641 N ASN A 75 9.248 0.505 4.583 1.00 0.00 N ATOM 1642 CA ASN A 75 10.333 0.230 5.519 1.00 0.00 C ATOM 1643 C ASN A 75 10.219 -1.171 6.115 1.00 0.00 C ATOM 1644 O ASN A 75 11.223 -1.772 6.513 1.00 0.00 O ATOM 1645 CB ASN A 75 10.338 1.274 6.640 1.00 0.00 C ATOM 1646 CG ASN A 75 11.518 1.127 7.586 1.00 0.00 C ATOM 1647 OD1 ASN A 75 12.662 1.397 7.224 1.00 0.00 O ATOM 1648 ND2 ASN A 75 11.248 0.697 8.807 1.00 0.00 N ATOM 0 H ASN A 75 8.502 1.088 4.962 1.00 0.00 H new ATOM 0 HA ASN A 75 11.271 0.285 4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.355 2.271 6.200 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.412 1.192 7.209 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.001 0.579 9.485 1.00 0.00 H new ATOM 0 HD22 ASN A 75 10.286 0.483 9.071 1.00 0.00 H new ATOM 1655 N ASP A 76 9.002 -1.700 6.161 1.00 0.00 N ATOM 1656 CA ASP A 76 8.761 -2.986 6.806 1.00 0.00 C ATOM 1657 C ASP A 76 9.196 -4.139 5.926 1.00 0.00 C ATOM 1658 O ASP A 76 9.526 -5.213 6.424 1.00 0.00 O ATOM 1659 CB ASP A 76 7.295 -3.147 7.175 1.00 0.00 C ATOM 1660 CG ASP A 76 7.057 -2.984 8.661 1.00 0.00 C ATOM 1661 OD1 ASP A 76 8.040 -3.010 9.443 1.00 0.00 O ATOM 1662 OD2 ASP A 76 5.891 -2.810 9.049 1.00 0.00 O ATOM 0 H ASP A 76 8.171 -1.262 5.762 1.00 0.00 H new ATOM 0 HA ASP A 76 9.359 -3.003 7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.703 -2.411 6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.949 -4.131 6.859 1.00 0.00 H new ATOM 1667 N TYR A 77 9.202 -3.930 4.618 1.00 0.00 N ATOM 1668 CA TYR A 77 9.691 -4.956 3.714 1.00 0.00 C ATOM 1669 C TYR A 77 11.144 -5.276 4.045 1.00 0.00 C ATOM 1670 O TYR A 77 11.524 -6.440 4.149 1.00 0.00 O ATOM 1671 CB TYR A 77 9.573 -4.534 2.250 1.00 0.00 C ATOM 1672 CG TYR A 77 10.365 -5.433 1.324 1.00 0.00 C ATOM 1673 CD1 TYR A 77 10.165 -6.810 1.324 1.00 0.00 C ATOM 1674 CD2 TYR A 77 11.330 -4.910 0.476 1.00 0.00 C ATOM 1675 CE1 TYR A 77 10.904 -7.636 0.498 1.00 0.00 C ATOM 1676 CE2 TYR A 77 12.074 -5.733 -0.347 1.00 0.00 C ATOM 1677 CZ TYR A 77 11.855 -7.091 -0.334 1.00 0.00 C ATOM 1678 OH TYR A 77 12.607 -7.908 -1.142 1.00 0.00 O ATOM 0 H TYR A 77 8.880 -3.074 4.166 1.00 0.00 H new ATOM 0 HA TYR A 77 9.072 -5.843 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.524 -4.547 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.922 -3.507 2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.421 -7.240 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.502 -3.844 0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.736 -8.703 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 77 12.825 -5.312 -0.999 1.00 0.00 H new ATOM 0 HH TYR A 77 13.532 -7.928 -0.818 1.00 0.00 H new ATOM 1688 N ILE A 78 11.945 -4.230 4.227 1.00 0.00 N ATOM 1689 CA ILE A 78 13.349 -4.389 4.586 1.00 0.00 C ATOM 1690 C ILE A 78 13.478 -4.950 6.000 1.00 0.00 C ATOM 1691 O ILE A 78 14.461 -5.610 6.336 1.00 0.00 O ATOM 1692 CB ILE A 78 14.118 -3.054 4.502 1.00 0.00 C ATOM 1693 CG1 ILE A 78 13.548 -2.169 3.391 1.00 0.00 C ATOM 1694 CG2 ILE A 78 15.595 -3.319 4.268 1.00 0.00 C ATOM 1695 CD1 ILE A 78 13.604 -0.690 3.708 1.00 0.00 C ATOM 0 H ILE A 78 11.643 -3.260 4.131 1.00 0.00 H new ATOM 0 HA ILE A 78 13.785 -5.085 3.869 1.00 0.00 H new ATOM 0 HB ILE A 78 14.001 -2.525 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 78 14.099 -2.356 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 78 12.512 -2.454 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.130 -2.371 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 78 15.993 -3.911 5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.723 -3.866 3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.184 -0.124 2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.029 -0.490 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.640 -0.390 3.864 1.00 0.00 H new ATOM 1707 N ARG A 79 12.470 -4.673 6.820 1.00 0.00 N ATOM 1708 CA ARG A 79 12.411 -5.192 8.180 1.00 0.00 C ATOM 1709 C ARG A 79 12.284 -6.713 8.162 1.00 0.00 C ATOM 1710 O ARG A 79 12.954 -7.413 8.917 1.00 0.00 O ATOM 1711 CB ARG A 79 11.222 -4.584 8.934 1.00 0.00 C ATOM 1712 CG ARG A 79 11.616 -3.716 10.117 1.00 0.00 C ATOM 1713 CD ARG A 79 12.209 -2.393 9.667 1.00 0.00 C ATOM 1714 NE ARG A 79 13.653 -2.357 9.865 1.00 0.00 N ATOM 1715 CZ ARG A 79 14.533 -1.995 8.934 1.00 0.00 C ATOM 1716 NH1 ARG A 79 14.120 -1.566 7.745 1.00 0.00 N ATOM 1717 NH2 ARG A 79 15.830 -2.055 9.205 1.00 0.00 N ATOM 0 H ARG A 79 11.676 -4.086 6.562 1.00 0.00 H new ATOM 0 HA ARG A 79 13.333 -4.917 8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.632 -3.986 8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.579 -5.390 9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.741 -3.530 10.740 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.339 -4.248 10.735 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.982 -2.231 8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.745 -1.578 10.222 1.00 0.00 H new ATOM 0 HE ARG A 79 14.014 -2.628 10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.122 -1.512 7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.801 -1.291 7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.145 -2.376 10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.512 -1.780 8.498 1.00 0.00 H new ATOM 1731 N LEU A 80 11.422 -7.218 7.294 1.00 0.00 N ATOM 1732 CA LEU A 80 11.193 -8.651 7.204 1.00 0.00 C ATOM 1733 C LEU A 80 12.234 -9.317 6.313 1.00 0.00 C ATOM 1734 O LEU A 80 12.967 -10.202 6.753 1.00 0.00 O ATOM 1735 CB LEU A 80 9.790 -8.936 6.666 1.00 0.00 C ATOM 1736 CG LEU A 80 8.743 -9.263 7.737 1.00 0.00 C ATOM 1737 CD1 LEU A 80 8.226 -7.990 8.387 1.00 0.00 C ATOM 1738 CD2 LEU A 80 7.597 -10.067 7.137 1.00 0.00 C ATOM 0 H LEU A 80 10.871 -6.658 6.643 1.00 0.00 H new ATOM 0 HA LEU A 80 11.281 -9.067 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.451 -8.069 6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.847 -9.771 5.967 1.00 0.00 H new ATOM 0 HG LEU A 80 9.218 -9.869 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.484 -8.244 9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.054 -7.458 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.768 -7.354 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.864 -10.290 7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.123 -9.489 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.983 -10.999 6.725 1.00 0.00 H new ATOM 1750 N PHE A 81 12.307 -8.875 5.070 1.00 0.00 N ATOM 1751 CA PHE A 81 13.184 -9.494 4.090 1.00 0.00 C ATOM 1752 C PHE A 81 14.394 -8.609 3.809 1.00 0.00 C ATOM 1753 O PHE A 81 15.367 -8.603 4.567 1.00 0.00 O ATOM 1754 CB PHE A 81 12.426 -9.763 2.786 1.00 0.00 C ATOM 1755 CG PHE A 81 11.293 -10.744 2.914 1.00 0.00 C ATOM 1756 CD1 PHE A 81 11.527 -12.107 2.855 1.00 0.00 C ATOM 1757 CD2 PHE A 81 9.992 -10.299 3.083 1.00 0.00 C ATOM 1758 CE1 PHE A 81 10.485 -13.010 2.963 1.00 0.00 C ATOM 1759 CE2 PHE A 81 8.946 -11.196 3.190 1.00 0.00 C ATOM 1760 CZ PHE A 81 9.194 -12.553 3.130 1.00 0.00 C ATOM 0 H PHE A 81 11.767 -8.086 4.714 1.00 0.00 H new ATOM 0 HA PHE A 81 13.532 -10.441 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.032 -8.819 2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.130 -10.135 2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 81 12.536 -12.470 2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.793 -9.239 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.682 -14.071 2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.936 -10.836 3.320 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.378 -13.256 3.214 1.00 0.00 H new ATOM 1770 N GLY A 82 14.314 -7.853 2.723 1.00 0.00 N ATOM 1771 CA GLY A 82 15.425 -7.037 2.294 1.00 0.00 C ATOM 1772 C GLY A 82 15.936 -7.492 0.945 1.00 0.00 C ATOM 1773 O GLY A 82 15.101 -7.679 0.034 1.00 0.00 O ATOM 1774 OXT GLY A 82 17.158 -7.705 0.807 1.00 0.00 O ATOM 0 H GLY A 82 13.488 -7.792 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.115 -5.993 2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.228 -7.092 3.029 1.00 0.00 H new