USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 69 SER OG : rot -74:sc= 0.588 USER MOD Set 1.2: A 70 SER OG : rot -60:sc= -1.47 USER MOD Set 1.3: A 106 CYS SG : rot 180:sc= -0.013 USER MOD Set 2.1: A 63 CYS SG : rot -131:sc= 0.0526! USER MOD Set 2.2: A 65 SER OG : rot -150:sc= -0.0741 USER MOD Set 3.1: A 42 GLN : amide:sc= 0.774 X(o=-1.2,f=-1.6) USER MOD Set 3.2: A 44 GLN :FLIP amide:sc= -1.99! X(o=-1.6,f=-1.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.46! C(o=-1.5!,f=-4.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0.166 USER MOD Single : A 41 MET CE :methyl 159:sc= -0.0918 (180deg=-0.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= -0.109 (180deg=-0.641) USER MOD Single : A 60 THR OG1 : rot -130:sc= -0.0633 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -100:sc= -1.28! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0.647 (180deg=0.18) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -4.3! C(o=-4.3!,f=-8.4!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.245 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS :FLIP no HD1:sc= -0.855 F(o=-2.5!,f=-0.86) USER MOD Single : A 107 SER OG : rot 54:sc= 0.26 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 155:sc= -0.0531 (180deg=-0.588) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 9.090 -9.715 -18.208 1.00 0.00 N ATOM 375 CA ASP A 24 8.369 -10.753 -17.418 1.00 0.00 C ATOM 376 C ASP A 24 6.962 -10.942 -17.987 1.00 0.00 C ATOM 377 O ASP A 24 6.383 -10.034 -18.549 1.00 0.00 O ATOM 378 CB ASP A 24 8.272 -10.306 -15.958 1.00 0.00 C ATOM 379 CG ASP A 24 8.665 -11.467 -15.042 1.00 0.00 C ATOM 380 OD1 ASP A 24 9.667 -12.105 -15.323 1.00 0.00 O ATOM 381 OD2 ASP A 24 7.958 -11.699 -14.076 1.00 0.00 O ATOM 0 HA ASP A 24 8.913 -11.696 -17.475 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.928 -9.453 -15.783 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.257 -9.979 -15.733 1.00 0.00 H new ATOM 386 N SER A 25 6.407 -12.114 -17.846 1.00 0.00 N ATOM 387 CA SER A 25 5.037 -12.357 -18.378 1.00 0.00 C ATOM 388 C SER A 25 4.003 -11.967 -17.321 1.00 0.00 C ATOM 389 O SER A 25 2.818 -12.182 -17.487 1.00 0.00 O ATOM 390 CB SER A 25 4.880 -13.839 -18.721 1.00 0.00 C ATOM 391 OG SER A 25 4.297 -13.963 -20.011 1.00 0.00 O ATOM 0 H SER A 25 6.843 -12.913 -17.386 1.00 0.00 H new ATOM 0 HA SER A 25 4.884 -11.757 -19.275 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.851 -14.334 -18.699 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.254 -14.332 -17.977 1.00 0.00 H new ATOM 0 HG SER A 25 4.197 -14.912 -20.235 1.00 0.00 H new ATOM 397 N ASN A 26 4.440 -11.395 -16.232 1.00 0.00 N ATOM 398 CA ASN A 26 3.483 -10.992 -15.165 1.00 0.00 C ATOM 399 C ASN A 26 3.575 -9.482 -14.933 1.00 0.00 C ATOM 400 O ASN A 26 2.706 -8.884 -14.330 1.00 0.00 O ATOM 401 CB ASN A 26 3.828 -11.731 -13.871 1.00 0.00 C ATOM 402 CG ASN A 26 4.548 -13.038 -14.206 1.00 0.00 C ATOM 403 OD1 ASN A 26 5.595 -13.027 -14.823 1.00 0.00 O ATOM 404 ND2 ASN A 26 4.027 -14.173 -13.826 1.00 0.00 N ATOM 0 H ASN A 26 5.420 -11.190 -16.036 1.00 0.00 H new ATOM 0 HA ASN A 26 2.469 -11.246 -15.472 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.461 -11.106 -13.241 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.920 -11.938 -13.305 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.499 -15.050 -14.047 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.148 -14.183 -13.308 1.00 0.00 H new ATOM 411 N VAL A 27 4.619 -8.860 -15.408 1.00 0.00 N ATOM 412 CA VAL A 27 4.763 -7.389 -15.215 1.00 0.00 C ATOM 413 C VAL A 27 4.413 -6.670 -16.519 1.00 0.00 C ATOM 414 O VAL A 27 4.920 -6.995 -17.574 1.00 0.00 O ATOM 415 CB VAL A 27 6.207 -7.065 -14.824 1.00 0.00 C ATOM 416 CG1 VAL A 27 6.327 -5.571 -14.512 1.00 0.00 C ATOM 417 CG2 VAL A 27 6.597 -7.879 -13.586 1.00 0.00 C ATOM 0 H VAL A 27 5.379 -9.307 -15.921 1.00 0.00 H new ATOM 0 HA VAL A 27 4.090 -7.057 -14.424 1.00 0.00 H new ATOM 0 HB VAL A 27 6.873 -7.319 -15.649 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.355 -5.339 -14.233 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.050 -4.992 -15.393 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.661 -5.317 -13.687 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.625 -7.648 -13.308 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.932 -7.626 -12.760 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.511 -8.943 -13.808 1.00 0.00 H new ATOM 427 N GLY A 28 3.547 -5.695 -16.456 1.00 0.00 N ATOM 428 CA GLY A 28 3.165 -4.960 -17.696 1.00 0.00 C ATOM 429 C GLY A 28 3.351 -3.456 -17.484 1.00 0.00 C ATOM 430 O GLY A 28 3.215 -2.951 -16.386 1.00 0.00 O ATOM 0 H GLY A 28 3.089 -5.376 -15.602 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.777 -5.297 -18.533 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.128 -5.175 -17.952 1.00 0.00 H new ATOM 434 N THR A 29 3.657 -2.737 -18.529 1.00 0.00 N ATOM 435 CA THR A 29 3.849 -1.266 -18.395 1.00 0.00 C ATOM 436 C THR A 29 2.977 -0.547 -19.426 1.00 0.00 C ATOM 437 O THR A 29 2.717 -1.063 -20.496 1.00 0.00 O ATOM 438 CB THR A 29 5.319 -0.918 -18.639 1.00 0.00 C ATOM 439 OG1 THR A 29 6.118 -1.502 -17.620 1.00 0.00 O ATOM 440 CG2 THR A 29 5.497 0.601 -18.622 1.00 0.00 C ATOM 0 H THR A 29 3.782 -3.106 -19.472 1.00 0.00 H new ATOM 0 HA THR A 29 3.564 -0.951 -17.391 1.00 0.00 H new ATOM 0 HB THR A 29 5.627 -1.306 -19.610 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.060 -1.281 -17.776 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.545 0.847 -18.796 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.885 1.048 -19.405 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.189 0.993 -17.653 1.00 0.00 H new ATOM 448 N GLY A 30 2.520 0.634 -19.117 1.00 0.00 N ATOM 449 CA GLY A 30 1.663 1.375 -20.086 1.00 0.00 C ATOM 450 C GLY A 30 2.023 2.860 -20.063 1.00 0.00 C ATOM 451 O GLY A 30 2.010 3.498 -19.028 1.00 0.00 O ATOM 0 H GLY A 30 2.702 1.118 -18.238 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.801 0.973 -21.090 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.611 1.242 -19.832 1.00 0.00 H new ATOM 455 N MET A 31 2.340 3.421 -21.198 1.00 0.00 N ATOM 456 CA MET A 31 2.696 4.866 -21.242 1.00 0.00 C ATOM 457 C MET A 31 1.716 5.602 -22.156 1.00 0.00 C ATOM 458 O MET A 31 1.907 5.683 -23.353 1.00 0.00 O ATOM 459 CB MET A 31 4.117 5.028 -21.787 1.00 0.00 C ATOM 460 CG MET A 31 4.540 6.494 -21.677 1.00 0.00 C ATOM 461 SD MET A 31 6.274 6.584 -21.163 1.00 0.00 S ATOM 462 CE MET A 31 6.506 8.355 -21.457 1.00 0.00 C ATOM 0 H MET A 31 2.368 2.940 -22.097 1.00 0.00 H new ATOM 0 HA MET A 31 2.643 5.283 -20.236 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.807 4.396 -21.228 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.159 4.703 -22.827 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.407 6.995 -22.636 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.908 7.013 -20.956 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.528 8.636 -21.201 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.321 8.577 -22.508 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.809 8.921 -20.839 1.00 0.00 H new ATOM 472 N VAL A 32 0.665 6.140 -21.601 1.00 0.00 N ATOM 473 CA VAL A 32 -0.329 6.871 -22.438 1.00 0.00 C ATOM 474 C VAL A 32 -0.137 8.376 -22.251 1.00 0.00 C ATOM 475 O VAL A 32 0.500 8.817 -21.314 1.00 0.00 O ATOM 476 CB VAL A 32 -1.745 6.478 -22.011 1.00 0.00 C ATOM 477 CG1 VAL A 32 -2.034 5.046 -22.461 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.859 6.566 -20.487 1.00 0.00 C ATOM 0 H VAL A 32 0.451 6.105 -20.604 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.184 6.612 -23.487 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.465 7.155 -22.470 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.043 4.766 -22.157 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.951 4.982 -23.546 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.315 4.368 -22.001 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.867 6.286 -20.181 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.139 5.888 -20.029 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.652 7.587 -20.165 1.00 0.00 H new ATOM 488 N GLY A 33 -0.679 9.171 -23.132 1.00 0.00 N ATOM 489 CA GLY A 33 -0.519 10.647 -22.997 1.00 0.00 C ATOM 490 C GLY A 33 -1.630 11.362 -23.767 1.00 0.00 C ATOM 491 O GLY A 33 -2.521 10.743 -24.314 1.00 0.00 O ATOM 0 H GLY A 33 -1.224 8.864 -23.937 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.553 10.931 -21.945 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.455 10.953 -23.379 1.00 0.00 H new ATOM 495 N ALA A 34 -1.583 12.666 -23.811 1.00 0.00 N ATOM 496 CA ALA A 34 -2.634 13.431 -24.541 1.00 0.00 C ATOM 497 C ALA A 34 -1.979 14.570 -25.329 1.00 0.00 C ATOM 498 O ALA A 34 -1.721 15.631 -24.797 1.00 0.00 O ATOM 499 CB ALA A 34 -3.626 14.016 -23.533 1.00 0.00 C ATOM 0 H ALA A 34 -0.860 13.236 -23.372 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.159 12.767 -25.228 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.396 14.576 -24.063 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.090 13.208 -22.968 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.100 14.682 -22.849 1.00 0.00 H new ATOM 505 N PRO A 35 -1.711 14.348 -26.590 1.00 0.00 N ATOM 506 CA PRO A 35 -1.071 15.371 -27.470 1.00 0.00 C ATOM 507 C PRO A 35 -1.867 16.679 -27.514 1.00 0.00 C ATOM 508 O PRO A 35 -1.326 17.738 -27.757 1.00 0.00 O ATOM 509 CB PRO A 35 -1.049 14.716 -28.855 1.00 0.00 C ATOM 510 CG PRO A 35 -1.195 13.250 -28.612 1.00 0.00 C ATOM 511 CD PRO A 35 -1.986 13.100 -27.314 1.00 0.00 C ATOM 0 HA PRO A 35 -0.081 15.645 -27.106 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.860 15.092 -29.479 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.118 14.935 -29.377 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.715 12.770 -29.441 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.219 12.772 -28.529 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.052 12.976 -27.507 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.661 12.228 -26.746 1.00 0.00 H new ATOM 519 N ALA A 36 -3.150 16.611 -27.284 1.00 0.00 N ATOM 520 CA ALA A 36 -3.979 17.849 -27.318 1.00 0.00 C ATOM 521 C ALA A 36 -3.188 19.012 -26.710 1.00 0.00 C ATOM 522 O ALA A 36 -2.934 20.008 -27.358 1.00 0.00 O ATOM 523 CB ALA A 36 -5.261 17.627 -26.513 1.00 0.00 C ATOM 0 H ALA A 36 -3.659 15.753 -27.074 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.235 18.086 -28.351 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.868 18.532 -26.538 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.824 16.801 -26.947 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.006 17.389 -25.480 1.00 0.00 H new ATOM 529 N CYS A 37 -2.798 18.893 -25.470 1.00 0.00 N ATOM 530 CA CYS A 37 -2.027 19.991 -24.822 1.00 0.00 C ATOM 531 C CYS A 37 -0.590 19.529 -24.570 1.00 0.00 C ATOM 532 O CYS A 37 0.358 20.221 -24.885 1.00 0.00 O ATOM 533 CB CYS A 37 -2.685 20.357 -23.490 1.00 0.00 C ATOM 534 SG CYS A 37 -3.879 19.074 -23.036 1.00 0.00 S ATOM 0 H CYS A 37 -2.980 18.083 -24.878 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.018 20.863 -25.476 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.927 20.456 -22.713 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.185 21.322 -23.572 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.437 19.382 -21.903 1.00 0.00 H new ATOM 540 N GLY A 38 -0.419 18.366 -24.003 1.00 0.00 N ATOM 541 CA GLY A 38 0.957 17.865 -23.731 1.00 0.00 C ATOM 542 C GLY A 38 1.010 17.250 -22.332 1.00 0.00 C ATOM 543 O GLY A 38 1.846 17.598 -21.522 1.00 0.00 O ATOM 0 H GLY A 38 -1.173 17.742 -23.717 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.239 17.122 -24.477 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.674 18.682 -23.808 1.00 0.00 H new ATOM 547 N ASP A 39 0.125 16.338 -22.041 1.00 0.00 N ATOM 548 CA ASP A 39 0.127 15.701 -20.694 1.00 0.00 C ATOM 549 C ASP A 39 0.427 14.208 -20.838 1.00 0.00 C ATOM 550 O ASP A 39 -0.319 13.473 -21.455 1.00 0.00 O ATOM 551 CB ASP A 39 -1.243 15.888 -20.039 1.00 0.00 C ATOM 552 CG ASP A 39 -1.062 16.135 -18.540 1.00 0.00 C ATOM 553 OD1 ASP A 39 -0.291 15.415 -17.930 1.00 0.00 O ATOM 554 OD2 ASP A 39 -1.698 17.043 -18.028 1.00 0.00 O ATOM 0 H ASP A 39 -0.600 16.006 -22.677 1.00 0.00 H new ATOM 0 HA ASP A 39 0.892 16.166 -20.072 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.765 16.728 -20.496 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.859 15.004 -20.201 1.00 0.00 H new ATOM 559 N VAL A 40 1.515 13.753 -20.281 1.00 0.00 N ATOM 560 CA VAL A 40 1.861 12.308 -20.394 1.00 0.00 C ATOM 561 C VAL A 40 1.604 11.609 -19.057 1.00 0.00 C ATOM 562 O VAL A 40 1.856 12.153 -18.000 1.00 0.00 O ATOM 563 CB VAL A 40 3.338 12.166 -20.766 1.00 0.00 C ATOM 564 CG1 VAL A 40 3.561 12.702 -22.181 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.190 12.967 -19.779 1.00 0.00 C ATOM 0 H VAL A 40 2.179 14.319 -19.753 1.00 0.00 H new ATOM 0 HA VAL A 40 1.243 11.849 -21.166 1.00 0.00 H new ATOM 0 HB VAL A 40 3.624 11.115 -20.726 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.613 12.601 -22.447 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.953 12.134 -22.885 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.276 13.753 -22.221 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.243 12.867 -20.043 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.904 14.018 -19.821 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.031 12.587 -18.770 1.00 0.00 H new ATOM 575 N MET A 41 1.105 10.403 -19.097 1.00 0.00 N ATOM 576 CA MET A 41 0.833 9.664 -17.832 1.00 0.00 C ATOM 577 C MET A 41 1.321 8.221 -17.975 1.00 0.00 C ATOM 578 O MET A 41 0.996 7.537 -18.926 1.00 0.00 O ATOM 579 CB MET A 41 -0.671 9.666 -17.550 1.00 0.00 C ATOM 580 CG MET A 41 -0.981 8.660 -16.440 1.00 0.00 C ATOM 581 SD MET A 41 -2.096 9.422 -15.234 1.00 0.00 S ATOM 582 CE MET A 41 -3.294 8.068 -15.151 1.00 0.00 C ATOM 0 H MET A 41 0.874 9.898 -19.952 1.00 0.00 H new ATOM 0 HA MET A 41 1.356 10.149 -17.008 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.995 10.663 -17.253 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.222 9.408 -18.454 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.440 7.766 -16.862 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.059 8.345 -15.951 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.859 8.139 -14.222 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.978 8.135 -15.997 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.768 7.114 -15.184 1.00 0.00 H new ATOM 592 N GLN A 42 2.101 7.751 -17.041 1.00 0.00 N ATOM 593 CA GLN A 42 2.607 6.353 -17.131 1.00 0.00 C ATOM 594 C GLN A 42 1.993 5.512 -16.012 1.00 0.00 C ATOM 595 O GLN A 42 2.091 5.842 -14.846 1.00 0.00 O ATOM 596 CB GLN A 42 4.131 6.350 -16.992 1.00 0.00 C ATOM 597 CG GLN A 42 4.619 4.920 -16.760 1.00 0.00 C ATOM 598 CD GLN A 42 6.096 4.814 -17.144 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.476 5.165 -18.244 1.00 0.00 O ATOM 600 NE2 GLN A 42 6.950 4.342 -16.279 1.00 0.00 N ATOM 0 H GLN A 42 2.409 8.274 -16.221 1.00 0.00 H new ATOM 0 HA GLN A 42 2.329 5.931 -18.097 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.590 6.761 -17.892 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.432 6.988 -16.161 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.484 4.644 -15.714 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.028 4.222 -17.353 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.631 4.048 -15.356 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.937 4.267 -16.525 1.00 0.00 H new ATOM 609 N LEU A 43 1.361 4.424 -16.357 1.00 0.00 N ATOM 610 CA LEU A 43 0.742 3.558 -15.315 1.00 0.00 C ATOM 611 C LEU A 43 1.295 2.137 -15.447 1.00 0.00 C ATOM 612 O LEU A 43 1.420 1.608 -16.534 1.00 0.00 O ATOM 613 CB LEU A 43 -0.775 3.536 -15.505 1.00 0.00 C ATOM 614 CG LEU A 43 -1.452 3.232 -14.169 1.00 0.00 C ATOM 615 CD1 LEU A 43 -1.798 4.543 -13.460 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.735 2.436 -14.419 1.00 0.00 C ATOM 0 H LEU A 43 1.247 4.097 -17.316 1.00 0.00 H new ATOM 0 HA LEU A 43 0.976 3.951 -14.326 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.118 4.497 -15.888 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.049 2.782 -16.243 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.776 2.649 -13.544 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.281 4.325 -12.507 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.886 5.112 -13.283 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.474 5.127 -14.084 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.219 2.218 -13.467 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.410 3.021 -15.044 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.491 1.501 -14.924 1.00 0.00 H new ATOM 628 N GLN A 44 1.630 1.515 -14.350 1.00 0.00 N ATOM 629 CA GLN A 44 2.177 0.131 -14.416 1.00 0.00 C ATOM 630 C GLN A 44 1.256 -0.823 -13.654 1.00 0.00 C ATOM 631 O GLN A 44 0.665 -0.464 -12.654 1.00 0.00 O ATOM 632 CB GLN A 44 3.571 0.103 -13.787 1.00 0.00 C ATOM 633 CG GLN A 44 4.577 0.751 -14.741 1.00 0.00 C ATOM 634 CD GLN A 44 5.516 1.663 -13.949 1.00 0.00 C ATOM 635 OE1 GLN A 44 6.250 2.535 -14.586 1.00 0.00 O flip ATOM 636 NE2 GLN A 44 5.585 1.581 -12.739 1.00 0.00 N flip ATOM 0 H GLN A 44 1.548 1.905 -13.411 1.00 0.00 H new ATOM 0 HA GLN A 44 2.240 -0.183 -15.458 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.562 0.634 -12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.865 -0.925 -13.575 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.151 -0.018 -15.259 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.052 1.326 -15.504 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.012 0.900 -12.240 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.216 2.193 -12.222 1.00 0.00 H new ATOM 645 N ILE A 45 1.133 -2.038 -14.114 1.00 0.00 N ATOM 646 CA ILE A 45 0.254 -3.016 -13.412 1.00 0.00 C ATOM 647 C ILE A 45 1.054 -4.282 -13.100 1.00 0.00 C ATOM 648 O ILE A 45 1.653 -4.882 -13.970 1.00 0.00 O ATOM 649 CB ILE A 45 -0.936 -3.371 -14.306 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.427 -3.908 -15.648 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.789 -2.123 -14.544 1.00 0.00 C ATOM 652 CD1 ILE A 45 -0.872 -5.362 -15.820 1.00 0.00 C ATOM 0 H ILE A 45 1.603 -2.396 -14.945 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.111 -2.576 -12.484 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.541 -4.134 -13.817 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.814 -3.299 -16.465 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.660 -3.842 -15.689 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.636 -2.377 -15.181 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.154 -1.744 -13.589 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.186 -1.357 -15.032 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.509 -5.743 -16.775 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.463 -5.966 -15.010 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.961 -5.414 -15.798 1.00 0.00 H new ATOM 664 N LYS A 46 1.071 -4.693 -11.860 1.00 0.00 N ATOM 665 CA LYS A 46 1.834 -5.919 -11.491 1.00 0.00 C ATOM 666 C LYS A 46 0.864 -7.085 -11.294 1.00 0.00 C ATOM 667 O LYS A 46 0.114 -7.127 -10.340 1.00 0.00 O ATOM 668 CB LYS A 46 2.596 -5.667 -10.189 1.00 0.00 C ATOM 669 CG LYS A 46 3.419 -6.905 -9.829 1.00 0.00 C ATOM 670 CD LYS A 46 4.884 -6.672 -10.204 1.00 0.00 C ATOM 671 CE LYS A 46 5.532 -5.740 -9.178 1.00 0.00 C ATOM 672 NZ LYS A 46 6.439 -6.527 -8.295 1.00 0.00 N ATOM 0 H LYS A 46 0.590 -4.233 -11.088 1.00 0.00 H new ATOM 0 HA LYS A 46 2.538 -6.163 -12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.250 -4.802 -10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.897 -5.436 -9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.334 -7.113 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.032 -7.777 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.418 -7.622 -10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.950 -6.235 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.093 -4.956 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.764 -5.248 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.880 -5.894 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.892 -7.260 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.179 -6.977 -8.870 1.00 0.00 H new ATOM 686 N VAL A 47 0.871 -8.035 -12.190 1.00 0.00 N ATOM 687 CA VAL A 47 -0.052 -9.196 -12.050 1.00 0.00 C ATOM 688 C VAL A 47 0.672 -10.344 -11.345 1.00 0.00 C ATOM 689 O VAL A 47 1.573 -10.950 -11.891 1.00 0.00 O ATOM 690 CB VAL A 47 -0.508 -9.656 -13.436 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.585 -10.731 -13.289 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.081 -8.464 -14.207 1.00 0.00 C ATOM 0 H VAL A 47 1.475 -8.057 -13.011 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.920 -8.899 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 47 0.343 -10.066 -13.979 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.910 -11.058 -14.277 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.178 -11.581 -12.741 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.436 -10.321 -12.745 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.406 -8.792 -15.195 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.932 -8.054 -13.663 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.314 -7.697 -14.313 1.00 0.00 H new ATOM 702 N ASP A 48 0.287 -10.649 -10.136 1.00 0.00 N ATOM 703 CA ASP A 48 0.953 -11.760 -9.396 1.00 0.00 C ATOM 704 C ASP A 48 1.224 -12.918 -10.354 1.00 0.00 C ATOM 705 O ASP A 48 2.334 -13.126 -10.800 1.00 0.00 O ATOM 706 CB ASP A 48 0.040 -12.237 -8.264 1.00 0.00 C ATOM 707 CG ASP A 48 0.405 -13.673 -7.883 1.00 0.00 C ATOM 708 OD1 ASP A 48 1.416 -13.851 -7.222 1.00 0.00 O ATOM 709 OD2 ASP A 48 -0.333 -14.570 -8.257 1.00 0.00 O ATOM 0 H ASP A 48 -0.461 -10.177 -9.628 1.00 0.00 H new ATOM 0 HA ASP A 48 1.895 -11.406 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.144 -11.583 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.003 -12.187 -8.578 1.00 0.00 H new ATOM 714 N ASP A 49 0.212 -13.673 -10.673 1.00 0.00 N ATOM 715 CA ASP A 49 0.394 -14.823 -11.601 1.00 0.00 C ATOM 716 C ASP A 49 -0.952 -15.517 -11.797 1.00 0.00 C ATOM 717 O ASP A 49 -1.221 -16.098 -12.829 1.00 0.00 O ATOM 718 CB ASP A 49 1.396 -15.812 -11.003 1.00 0.00 C ATOM 719 CG ASP A 49 1.545 -17.016 -11.934 1.00 0.00 C ATOM 720 OD1 ASP A 49 0.529 -17.570 -12.322 1.00 0.00 O ATOM 721 OD2 ASP A 49 2.672 -17.363 -12.246 1.00 0.00 O ATOM 0 H ASP A 49 -0.739 -13.543 -10.329 1.00 0.00 H new ATOM 0 HA ASP A 49 0.771 -14.467 -12.560 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.362 -15.327 -10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.057 -16.139 -10.020 1.00 0.00 H new ATOM 726 N ASN A 50 -1.802 -15.456 -10.808 1.00 0.00 N ATOM 727 CA ASN A 50 -3.135 -16.104 -10.929 1.00 0.00 C ATOM 728 C ASN A 50 -4.097 -15.155 -11.649 1.00 0.00 C ATOM 729 O ASN A 50 -5.134 -15.557 -12.135 1.00 0.00 O ATOM 730 CB ASN A 50 -3.677 -16.418 -9.533 1.00 0.00 C ATOM 731 CG ASN A 50 -2.667 -17.281 -8.774 1.00 0.00 C ATOM 732 OD1 ASN A 50 -2.065 -18.171 -9.342 1.00 0.00 O ATOM 733 ND2 ASN A 50 -2.454 -17.054 -7.508 1.00 0.00 N ATOM 0 H ASN A 50 -1.628 -14.984 -9.921 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.041 -17.029 -11.498 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.863 -15.493 -8.987 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.631 -16.940 -9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.782 -17.623 -6.994 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.959 -16.307 -7.032 1.00 0.00 H new ATOM 740 N GLY A 51 -3.756 -13.897 -11.718 1.00 0.00 N ATOM 741 CA GLY A 51 -4.648 -12.921 -12.407 1.00 0.00 C ATOM 742 C GLY A 51 -5.035 -11.807 -11.431 1.00 0.00 C ATOM 743 O GLY A 51 -5.921 -11.019 -11.694 1.00 0.00 O ATOM 0 H GLY A 51 -2.900 -13.503 -11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.142 -12.499 -13.275 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.542 -13.425 -12.774 1.00 0.00 H new ATOM 747 N ILE A 52 -4.377 -11.737 -10.306 1.00 0.00 N ATOM 748 CA ILE A 52 -4.708 -10.675 -9.314 1.00 0.00 C ATOM 749 C ILE A 52 -3.626 -9.593 -9.347 1.00 0.00 C ATOM 750 O ILE A 52 -2.446 -9.882 -9.355 1.00 0.00 O ATOM 751 CB ILE A 52 -4.774 -11.286 -7.914 1.00 0.00 C ATOM 752 CG1 ILE A 52 -5.555 -12.601 -7.966 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.477 -10.315 -6.965 1.00 0.00 C ATOM 754 CD1 ILE A 52 -6.946 -12.345 -8.550 1.00 0.00 C ATOM 0 H ILE A 52 -3.625 -12.369 -10.031 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.673 -10.234 -9.563 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.763 -11.477 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.021 -13.330 -8.576 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.641 -13.025 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.524 -10.751 -5.967 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.921 -9.378 -6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.488 -10.123 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.503 -13.281 -8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.479 -11.631 -7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.849 -11.940 -9.557 1.00 0.00 H new ATOM 766 N ILE A 53 -4.017 -8.348 -9.362 1.00 0.00 N ATOM 767 CA ILE A 53 -3.008 -7.252 -9.392 1.00 0.00 C ATOM 768 C ILE A 53 -2.173 -7.295 -8.112 1.00 0.00 C ATOM 769 O ILE A 53 -2.487 -6.649 -7.132 1.00 0.00 O ATOM 770 CB ILE A 53 -3.722 -5.903 -9.489 1.00 0.00 C ATOM 771 CG1 ILE A 53 -4.497 -5.832 -10.806 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.690 -4.774 -9.444 1.00 0.00 C ATOM 773 CD1 ILE A 53 -5.333 -4.551 -10.839 1.00 0.00 C ATOM 0 H ILE A 53 -4.990 -8.043 -9.355 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.357 -7.381 -10.257 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.413 -5.796 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.805 -5.849 -11.648 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.144 -6.704 -10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.199 -3.813 -9.513 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.136 -4.825 -8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.999 -4.879 -10.280 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.885 -4.501 -11.778 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.035 -4.553 -10.005 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.676 -3.685 -10.758 1.00 0.00 H new ATOM 785 N GLU A 54 -1.108 -8.050 -8.112 1.00 0.00 N ATOM 786 CA GLU A 54 -0.253 -8.131 -6.894 1.00 0.00 C ATOM 787 C GLU A 54 0.042 -6.718 -6.390 1.00 0.00 C ATOM 788 O GLU A 54 -0.167 -6.402 -5.235 1.00 0.00 O ATOM 789 CB GLU A 54 1.061 -8.835 -7.239 1.00 0.00 C ATOM 790 CG GLU A 54 1.551 -9.627 -6.026 1.00 0.00 C ATOM 791 CD GLU A 54 1.921 -8.660 -4.900 1.00 0.00 C ATOM 792 OE1 GLU A 54 3.020 -8.134 -4.934 1.00 0.00 O ATOM 793 OE2 GLU A 54 1.097 -8.463 -4.021 1.00 0.00 O ATOM 0 H GLU A 54 -0.794 -8.613 -8.902 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.773 -8.694 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.916 -9.503 -8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.811 -8.102 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.775 -10.314 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.416 -10.232 -6.299 1.00 0.00 H new ATOM 800 N ASP A 55 0.527 -5.865 -7.249 1.00 0.00 N ATOM 801 CA ASP A 55 0.836 -4.471 -6.826 1.00 0.00 C ATOM 802 C ASP A 55 0.496 -3.513 -7.969 1.00 0.00 C ATOM 803 O ASP A 55 0.033 -3.922 -9.015 1.00 0.00 O ATOM 804 CB ASP A 55 2.325 -4.357 -6.490 1.00 0.00 C ATOM 805 CG ASP A 55 2.547 -3.163 -5.561 1.00 0.00 C ATOM 806 OD1 ASP A 55 1.898 -3.109 -4.530 1.00 0.00 O ATOM 807 OD2 ASP A 55 3.364 -2.320 -5.898 1.00 0.00 O ATOM 0 H ASP A 55 0.723 -6.074 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 55 0.247 -4.216 -5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.672 -5.273 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.907 -4.234 -7.404 1.00 0.00 H new ATOM 812 N ALA A 56 0.720 -2.241 -7.781 1.00 0.00 N ATOM 813 CA ALA A 56 0.406 -1.267 -8.863 1.00 0.00 C ATOM 814 C ALA A 56 1.088 0.069 -8.569 1.00 0.00 C ATOM 815 O ALA A 56 1.203 0.483 -7.432 1.00 0.00 O ATOM 816 CB ALA A 56 -1.109 -1.062 -8.938 1.00 0.00 C ATOM 0 H ALA A 56 1.105 -1.836 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 56 0.770 -1.654 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.341 -0.349 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.595 -2.014 -9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.472 -0.677 -7.985 1.00 0.00 H new ATOM 822 N LYS A 57 1.538 0.751 -9.586 1.00 0.00 N ATOM 823 CA LYS A 57 2.209 2.062 -9.368 1.00 0.00 C ATOM 824 C LYS A 57 1.683 3.076 -10.386 1.00 0.00 C ATOM 825 O LYS A 57 1.098 2.718 -11.389 1.00 0.00 O ATOM 826 CB LYS A 57 3.721 1.898 -9.545 1.00 0.00 C ATOM 827 CG LYS A 57 4.451 2.778 -8.529 1.00 0.00 C ATOM 828 CD LYS A 57 5.773 3.261 -9.126 1.00 0.00 C ATOM 829 CE LYS A 57 6.369 4.351 -8.233 1.00 0.00 C ATOM 830 NZ LYS A 57 6.839 5.486 -9.077 1.00 0.00 N ATOM 0 H LYS A 57 1.470 0.456 -10.560 1.00 0.00 H new ATOM 0 HA LYS A 57 1.999 2.416 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.003 0.854 -9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.012 2.176 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.829 3.631 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.637 2.216 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.470 2.428 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.610 3.649 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.622 4.700 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.199 3.947 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.244 6.226 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.565 5.148 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.037 5.877 -9.611 1.00 0.00 H new ATOM 844 N PHE A 58 1.886 4.340 -10.137 1.00 0.00 N ATOM 845 CA PHE A 58 1.397 5.376 -11.090 1.00 0.00 C ATOM 846 C PHE A 58 2.377 6.551 -11.109 1.00 0.00 C ATOM 847 O PHE A 58 3.251 6.656 -10.272 1.00 0.00 O ATOM 848 CB PHE A 58 0.017 5.868 -10.645 1.00 0.00 C ATOM 849 CG PHE A 58 0.179 6.955 -9.610 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.574 6.629 -8.307 1.00 0.00 C ATOM 851 CD2 PHE A 58 -0.064 8.290 -9.955 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.726 7.637 -7.349 1.00 0.00 C ATOM 853 CE2 PHE A 58 0.089 9.299 -8.996 1.00 0.00 C ATOM 854 CZ PHE A 58 0.484 8.973 -7.693 1.00 0.00 C ATOM 0 H PHE A 58 2.370 4.701 -9.315 1.00 0.00 H new ATOM 0 HA PHE A 58 1.324 4.947 -12.089 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.539 6.247 -11.502 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.560 5.041 -10.232 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.761 5.599 -8.041 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.369 8.541 -10.960 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.030 7.385 -6.344 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.098 10.329 -9.262 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.602 9.751 -6.954 1.00 0.00 H new ATOM 864 N LYS A 59 2.239 7.436 -12.057 1.00 0.00 N ATOM 865 CA LYS A 59 3.164 8.603 -12.127 1.00 0.00 C ATOM 866 C LYS A 59 2.591 9.653 -13.081 1.00 0.00 C ATOM 867 O LYS A 59 2.476 9.431 -14.270 1.00 0.00 O ATOM 868 CB LYS A 59 4.532 8.140 -12.635 1.00 0.00 C ATOM 869 CG LYS A 59 5.248 9.309 -13.316 1.00 0.00 C ATOM 870 CD LYS A 59 6.762 9.119 -13.202 1.00 0.00 C ATOM 871 CE LYS A 59 7.474 10.323 -13.824 1.00 0.00 C ATOM 872 NZ LYS A 59 7.147 11.549 -13.044 1.00 0.00 N ATOM 0 H LYS A 59 1.526 7.402 -12.786 1.00 0.00 H new ATOM 0 HA LYS A 59 3.275 9.039 -11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.132 7.766 -11.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.411 7.315 -13.338 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.956 9.366 -14.365 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.953 10.250 -12.851 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.049 9.014 -12.156 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.064 8.202 -13.709 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.552 10.159 -13.830 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.165 10.446 -14.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.880 12.269 -13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.225 11.919 -13.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.108 11.316 -12.031 1.00 0.00 H new ATOM 886 N THR A 60 2.232 10.799 -12.568 1.00 0.00 N ATOM 887 CA THR A 60 1.669 11.863 -13.446 1.00 0.00 C ATOM 888 C THR A 60 2.689 12.995 -13.585 1.00 0.00 C ATOM 889 O THR A 60 3.377 13.343 -12.645 1.00 0.00 O ATOM 890 CB THR A 60 0.380 12.410 -12.826 1.00 0.00 C ATOM 891 OG1 THR A 60 0.672 12.983 -11.559 1.00 0.00 O ATOM 892 CG2 THR A 60 -0.628 11.273 -12.655 1.00 0.00 C ATOM 0 H THR A 60 2.304 11.043 -11.580 1.00 0.00 H new ATOM 0 HA THR A 60 1.448 11.446 -14.429 1.00 0.00 H new ATOM 0 HB THR A 60 -0.044 13.172 -13.480 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.049 12.631 -10.889 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.545 11.663 -12.214 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.851 10.835 -13.628 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.207 10.509 -12.001 1.00 0.00 H new ATOM 900 N TYR A 61 2.794 13.571 -14.750 1.00 0.00 N ATOM 901 CA TYR A 61 3.771 14.677 -14.947 1.00 0.00 C ATOM 902 C TYR A 61 3.251 15.631 -16.023 1.00 0.00 C ATOM 903 O TYR A 61 3.372 15.375 -17.205 1.00 0.00 O ATOM 904 CB TYR A 61 5.116 14.096 -15.387 1.00 0.00 C ATOM 905 CG TYR A 61 6.237 14.936 -14.826 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.365 15.097 -13.441 1.00 0.00 C ATOM 907 CD2 TYR A 61 7.148 15.553 -15.690 1.00 0.00 C ATOM 908 CE1 TYR A 61 7.405 15.875 -12.921 1.00 0.00 C ATOM 909 CE2 TYR A 61 8.188 16.333 -15.169 1.00 0.00 C ATOM 910 CZ TYR A 61 8.317 16.494 -13.785 1.00 0.00 C ATOM 911 OH TYR A 61 9.342 17.262 -13.272 1.00 0.00 O ATOM 0 H TYR A 61 2.246 13.324 -15.574 1.00 0.00 H new ATOM 0 HA TYR A 61 3.899 15.221 -14.011 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.210 13.067 -15.040 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.175 14.072 -16.475 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.661 14.621 -12.774 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.049 15.428 -16.758 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.505 15.998 -11.853 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.891 16.810 -15.836 1.00 0.00 H new ATOM 0 HH TYR A 61 9.884 17.618 -14.007 1.00 0.00 H new ATOM 921 N GLY A 62 2.672 16.730 -15.625 1.00 0.00 N ATOM 922 CA GLY A 62 2.146 17.699 -16.629 1.00 0.00 C ATOM 923 C GLY A 62 1.204 18.688 -15.943 1.00 0.00 C ATOM 924 O GLY A 62 1.370 19.888 -16.038 1.00 0.00 O ATOM 0 H GLY A 62 2.540 16.999 -14.650 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.971 18.234 -17.100 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.618 17.167 -17.420 1.00 0.00 H new ATOM 928 N CYS A 63 0.212 18.196 -15.250 1.00 0.00 N ATOM 929 CA CYS A 63 -0.740 19.112 -14.561 1.00 0.00 C ATOM 930 C CYS A 63 -0.805 18.758 -13.074 1.00 0.00 C ATOM 931 O CYS A 63 -0.236 17.779 -12.634 1.00 0.00 O ATOM 932 CB CYS A 63 -2.130 18.963 -15.183 1.00 0.00 C ATOM 933 SG CYS A 63 -3.244 20.201 -14.473 1.00 0.00 S ATOM 0 H CYS A 63 0.021 17.201 -15.132 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.400 20.141 -14.673 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.072 19.088 -16.264 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.517 17.961 -14.998 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.347 19.626 -14.094 1.00 0.00 H new ATOM 939 N GLY A 64 -1.496 19.548 -12.298 1.00 0.00 N ATOM 940 CA GLY A 64 -1.597 19.258 -10.840 1.00 0.00 C ATOM 941 C GLY A 64 -3.068 19.092 -10.452 1.00 0.00 C ATOM 942 O GLY A 64 -3.430 19.192 -9.297 1.00 0.00 O ATOM 0 H GLY A 64 -1.995 20.381 -12.611 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.042 18.351 -10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.148 20.068 -10.266 1.00 0.00 H new ATOM 946 N SER A 65 -3.919 18.840 -11.410 1.00 0.00 N ATOM 947 CA SER A 65 -5.365 18.669 -11.093 1.00 0.00 C ATOM 948 C SER A 65 -5.784 17.226 -11.377 1.00 0.00 C ATOM 949 O SER A 65 -6.879 16.812 -11.050 1.00 0.00 O ATOM 950 CB SER A 65 -6.192 19.620 -11.961 1.00 0.00 C ATOM 951 OG SER A 65 -6.302 19.083 -13.271 1.00 0.00 O ATOM 0 H SER A 65 -3.676 18.745 -12.396 1.00 0.00 H new ATOM 0 HA SER A 65 -5.535 18.895 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.183 19.758 -11.528 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.720 20.602 -11.996 1.00 0.00 H new ATOM 0 HG SER A 65 -6.380 19.814 -13.919 1.00 0.00 H new ATOM 957 N ALA A 66 -4.924 16.455 -11.986 1.00 0.00 N ATOM 958 CA ALA A 66 -5.276 15.039 -12.289 1.00 0.00 C ATOM 959 C ALA A 66 -4.717 14.128 -11.194 1.00 0.00 C ATOM 960 O ALA A 66 -4.924 12.931 -11.204 1.00 0.00 O ATOM 961 CB ALA A 66 -4.677 14.642 -13.639 1.00 0.00 C ATOM 0 H ALA A 66 -3.993 16.745 -12.286 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.360 14.935 -12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.934 13.606 -13.861 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.076 15.290 -14.419 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.593 14.746 -13.601 1.00 0.00 H new ATOM 967 N ILE A 67 -4.010 14.686 -10.251 1.00 0.00 N ATOM 968 CA ILE A 67 -3.439 13.852 -9.157 1.00 0.00 C ATOM 969 C ILE A 67 -4.576 13.185 -8.380 1.00 0.00 C ATOM 970 O ILE A 67 -4.599 11.982 -8.205 1.00 0.00 O ATOM 971 CB ILE A 67 -2.627 14.740 -8.212 1.00 0.00 C ATOM 972 CG1 ILE A 67 -1.834 15.762 -9.031 1.00 0.00 C ATOM 973 CG2 ILE A 67 -1.658 13.875 -7.404 1.00 0.00 C ATOM 974 CD1 ILE A 67 -0.994 15.034 -10.083 1.00 0.00 C ATOM 0 H ILE A 67 -3.803 15.683 -10.191 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.791 13.086 -9.582 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.302 15.260 -7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.515 16.462 -9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.188 16.346 -8.376 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.080 14.508 -6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.221 13.145 -6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.982 13.355 -8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.430 15.762 -10.666 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.303 14.351 -9.588 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.650 14.469 -10.745 1.00 0.00 H new ATOM 986 N ALA A 68 -5.520 13.956 -7.914 1.00 0.00 N ATOM 987 CA ALA A 68 -6.656 13.367 -7.150 1.00 0.00 C ATOM 988 C ALA A 68 -7.107 12.070 -7.826 1.00 0.00 C ATOM 989 O ALA A 68 -7.190 11.030 -7.203 1.00 0.00 O ATOM 990 CB ALA A 68 -7.820 14.359 -7.123 1.00 0.00 C ATOM 0 H ALA A 68 -5.554 14.969 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.337 13.153 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.651 13.929 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.499 15.283 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.140 14.572 -8.143 1.00 0.00 H new ATOM 996 N SER A 69 -7.401 12.123 -9.097 1.00 0.00 N ATOM 997 CA SER A 69 -7.847 10.893 -9.810 1.00 0.00 C ATOM 998 C SER A 69 -6.769 9.814 -9.687 1.00 0.00 C ATOM 999 O SER A 69 -7.030 8.710 -9.253 1.00 0.00 O ATOM 1000 CB SER A 69 -8.080 11.217 -11.287 1.00 0.00 C ATOM 1001 OG SER A 69 -6.828 11.267 -11.959 1.00 0.00 O ATOM 0 H SER A 69 -7.352 12.964 -9.672 1.00 0.00 H new ATOM 0 HA SER A 69 -8.775 10.531 -9.367 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.720 10.460 -11.741 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.597 12.172 -11.385 1.00 0.00 H new ATOM 0 HG SER A 69 -6.360 12.093 -11.718 1.00 0.00 H new ATOM 1007 N SER A 70 -5.560 10.125 -10.066 1.00 0.00 N ATOM 1008 CA SER A 70 -4.467 9.115 -9.970 1.00 0.00 C ATOM 1009 C SER A 70 -4.558 8.395 -8.623 1.00 0.00 C ATOM 1010 O SER A 70 -4.327 7.206 -8.527 1.00 0.00 O ATOM 1011 CB SER A 70 -3.114 9.819 -10.082 1.00 0.00 C ATOM 1012 OG SER A 70 -3.295 11.091 -10.690 1.00 0.00 O ATOM 0 H SER A 70 -5.281 11.033 -10.438 1.00 0.00 H new ATOM 0 HA SER A 70 -4.567 8.390 -10.778 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.669 9.936 -9.094 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.425 9.216 -10.673 1.00 0.00 H new ATOM 0 HG SER A 70 -3.677 10.974 -11.585 1.00 0.00 H new ATOM 1018 N SER A 71 -4.894 9.107 -7.582 1.00 0.00 N ATOM 1019 CA SER A 71 -5.002 8.464 -6.241 1.00 0.00 C ATOM 1020 C SER A 71 -6.233 7.558 -6.207 1.00 0.00 C ATOM 1021 O SER A 71 -6.183 6.440 -5.732 1.00 0.00 O ATOM 1022 CB SER A 71 -5.136 9.547 -5.169 1.00 0.00 C ATOM 1023 OG SER A 71 -4.133 10.534 -5.368 1.00 0.00 O ATOM 0 H SER A 71 -5.098 10.106 -7.602 1.00 0.00 H new ATOM 0 HA SER A 71 -4.109 7.869 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.125 10.003 -5.218 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.037 9.107 -4.177 1.00 0.00 H new ATOM 0 HG SER A 71 -4.218 11.230 -4.683 1.00 0.00 H new ATOM 1029 N LEU A 72 -7.341 8.033 -6.705 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.581 7.206 -6.699 1.00 0.00 C ATOM 1031 C LEU A 72 -8.310 5.857 -7.370 1.00 0.00 C ATOM 1032 O LEU A 72 -8.537 4.811 -6.794 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.683 7.941 -7.467 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.972 7.116 -7.430 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -12.033 7.862 -6.619 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.482 6.901 -8.857 1.00 0.00 C ATOM 0 H LEU A 72 -7.442 8.961 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.897 7.038 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.855 8.923 -7.026 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.374 8.105 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.771 6.151 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.951 7.274 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.672 8.016 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.234 8.828 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.400 6.314 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.682 7.867 -9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.727 6.369 -9.437 1.00 0.00 H new ATOM 1048 N ILE A 73 -7.834 5.872 -8.585 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.557 4.589 -9.293 1.00 0.00 C ATOM 1050 C ILE A 73 -6.484 3.800 -8.541 1.00 0.00 C ATOM 1051 O ILE A 73 -6.719 2.702 -8.076 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.067 4.886 -10.712 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -6.629 3.581 -11.381 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -5.882 5.851 -10.651 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -6.959 3.636 -12.875 1.00 0.00 C ATOM 0 H ILE A 73 -7.625 6.716 -9.118 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.473 3.999 -9.336 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.873 5.339 -11.289 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.559 3.429 -11.240 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.135 2.735 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.533 6.063 -11.662 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.193 6.780 -10.173 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.074 5.399 -10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.647 2.706 -13.351 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.033 3.768 -13.006 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.432 4.473 -13.333 1.00 0.00 H new ATOM 1067 N THR A 74 -5.306 4.346 -8.420 1.00 0.00 N ATOM 1068 CA THR A 74 -4.218 3.624 -7.702 1.00 0.00 C ATOM 1069 C THR A 74 -4.807 2.828 -6.535 1.00 0.00 C ATOM 1070 O THR A 74 -4.314 1.777 -6.177 1.00 0.00 O ATOM 1071 CB THR A 74 -3.203 4.635 -7.167 1.00 0.00 C ATOM 1072 OG1 THR A 74 -3.877 5.828 -6.798 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.166 4.946 -8.248 1.00 0.00 C ATOM 0 H THR A 74 -5.049 5.262 -8.788 1.00 0.00 H new ATOM 0 HA THR A 74 -3.724 2.940 -8.392 1.00 0.00 H new ATOM 0 HB THR A 74 -2.699 4.216 -6.296 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.772 6.496 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.444 5.667 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.648 4.029 -8.530 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.666 5.364 -9.122 1.00 0.00 H new ATOM 1081 N GLU A 75 -5.855 3.322 -5.933 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.464 2.592 -4.785 1.00 0.00 C ATOM 1083 C GLU A 75 -7.456 1.546 -5.302 1.00 0.00 C ATOM 1084 O GLU A 75 -7.652 0.511 -4.694 1.00 0.00 O ATOM 1085 CB GLU A 75 -7.196 3.587 -3.879 1.00 0.00 C ATOM 1086 CG GLU A 75 -6.549 3.591 -2.492 1.00 0.00 C ATOM 1087 CD GLU A 75 -5.213 4.335 -2.554 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -4.879 4.823 -3.622 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -4.549 4.406 -1.535 1.00 0.00 O ATOM 0 H GLU A 75 -6.314 4.197 -6.186 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.678 2.092 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.156 4.586 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.249 3.315 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.211 4.071 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.392 2.568 -2.149 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.086 1.804 -6.415 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.067 0.822 -6.959 1.00 0.00 C ATOM 1098 C TRP A 76 -8.329 -0.264 -7.744 1.00 0.00 C ATOM 1099 O TRP A 76 -8.934 -1.166 -8.290 1.00 0.00 O ATOM 1100 CB TRP A 76 -10.048 1.540 -7.887 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.156 2.132 -7.077 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -11.049 2.528 -5.789 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.532 2.400 -7.474 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -12.270 3.022 -5.370 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.216 2.965 -6.373 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -13.244 2.209 -8.672 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -14.561 3.328 -6.457 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.597 2.574 -8.760 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.255 3.132 -7.654 1.00 0.00 C ATOM 0 H TRP A 76 -7.964 2.651 -6.971 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.613 0.365 -6.134 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.532 2.322 -8.444 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.452 0.840 -8.619 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.155 2.468 -5.186 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -12.450 3.384 -4.434 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -12.747 1.779 -9.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.062 3.758 -5.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -15.134 2.424 -9.685 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.296 3.410 -7.727 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.028 -0.189 -7.806 1.00 0.00 N ATOM 1121 CA VAL A 77 -6.259 -1.221 -8.557 1.00 0.00 C ATOM 1122 C VAL A 77 -5.230 -1.868 -7.628 1.00 0.00 C ATOM 1123 O VAL A 77 -4.038 -1.732 -7.815 1.00 0.00 O ATOM 1124 CB VAL A 77 -5.542 -0.565 -9.740 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -6.559 -0.233 -10.833 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -4.860 0.722 -9.273 1.00 0.00 C ATOM 0 H VAL A 77 -6.465 0.541 -7.370 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.943 -1.985 -8.927 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.793 -1.251 -10.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.049 0.234 -11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.046 -1.149 -11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.308 0.453 -10.437 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.349 1.189 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.609 1.408 -8.877 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.135 0.487 -8.494 1.00 0.00 H new ATOM 1136 N LYS A 78 -5.684 -2.569 -6.625 1.00 0.00 N ATOM 1137 CA LYS A 78 -4.736 -3.225 -5.683 1.00 0.00 C ATOM 1138 C LYS A 78 -5.357 -4.519 -5.155 1.00 0.00 C ATOM 1139 O LYS A 78 -6.099 -4.516 -4.192 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.448 -2.283 -4.512 1.00 0.00 C ATOM 1141 CG LYS A 78 -3.092 -1.606 -4.719 1.00 0.00 C ATOM 1142 CD LYS A 78 -2.678 -0.884 -3.436 1.00 0.00 C ATOM 1143 CE LYS A 78 -1.208 -0.471 -3.535 1.00 0.00 C ATOM 1144 NZ LYS A 78 -0.711 -0.072 -2.188 1.00 0.00 N ATOM 0 H LYS A 78 -6.672 -2.715 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.806 -3.454 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.233 -1.531 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.448 -2.840 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.341 -2.348 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.150 -0.897 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.304 -0.005 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.827 -1.536 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.613 -1.297 -3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.099 0.358 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.288 0.209 -2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.272 0.729 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.801 -0.875 -1.533 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.061 -5.628 -5.777 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.636 -6.921 -5.309 1.00 0.00 C ATOM 1160 C GLY A 79 -6.857 -7.275 -6.160 1.00 0.00 C ATOM 1161 O GLY A 79 -7.324 -8.396 -6.155 1.00 0.00 O ATOM 0 H GLY A 79 -4.446 -5.694 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.888 -7.711 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.920 -6.846 -4.259 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.379 -6.329 -6.893 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.569 -6.616 -7.742 1.00 0.00 C ATOM 1167 C LYS A 80 -8.149 -7.482 -8.930 1.00 0.00 C ATOM 1168 O LYS A 80 -7.055 -8.010 -8.972 1.00 0.00 O ATOM 1169 CB LYS A 80 -9.160 -5.303 -8.262 1.00 0.00 C ATOM 1170 CG LYS A 80 -9.939 -4.603 -7.145 1.00 0.00 C ATOM 1171 CD LYS A 80 -11.277 -4.099 -7.693 1.00 0.00 C ATOM 1172 CE LYS A 80 -11.735 -2.884 -6.884 1.00 0.00 C ATOM 1173 NZ LYS A 80 -11.202 -1.642 -7.514 1.00 0.00 N ATOM 0 H LYS A 80 -7.033 -5.371 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.316 -7.142 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.363 -4.653 -8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.819 -5.500 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.109 -5.293 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.359 -3.769 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.174 -3.831 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.026 -4.889 -7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.824 -2.848 -6.846 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.383 -2.964 -5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.319 -0.843 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.192 -1.768 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.722 -1.448 -8.393 1.00 0.00 H new ATOM 1187 N SER A 81 -9.011 -7.632 -9.898 1.00 0.00 N ATOM 1188 CA SER A 81 -8.664 -8.462 -11.085 1.00 0.00 C ATOM 1189 C SER A 81 -8.624 -7.574 -12.332 1.00 0.00 C ATOM 1190 O SER A 81 -9.434 -6.682 -12.496 1.00 0.00 O ATOM 1191 CB SER A 81 -9.719 -9.552 -11.272 1.00 0.00 C ATOM 1192 OG SER A 81 -10.279 -9.882 -10.008 1.00 0.00 O ATOM 0 H SER A 81 -9.942 -7.215 -9.918 1.00 0.00 H new ATOM 0 HA SER A 81 -7.688 -8.923 -10.933 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.500 -9.207 -11.950 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.270 -10.435 -11.726 1.00 0.00 H new ATOM 0 HG SER A 81 -10.958 -10.580 -10.123 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.690 -7.809 -13.210 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.603 -6.977 -14.442 1.00 0.00 C ATOM 1200 C LEU A 82 -8.986 -6.883 -15.090 1.00 0.00 C ATOM 1201 O LEU A 82 -9.209 -6.097 -15.988 1.00 0.00 O ATOM 1202 CB LEU A 82 -6.621 -7.620 -15.425 1.00 0.00 C ATOM 1203 CG LEU A 82 -5.287 -6.874 -15.374 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -4.246 -7.633 -16.199 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -5.468 -5.469 -15.952 1.00 0.00 C ATOM 0 H LEU A 82 -6.984 -8.540 -13.128 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.253 -5.978 -14.182 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.473 -8.670 -15.173 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.029 -7.589 -16.435 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.950 -6.803 -14.340 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.295 -7.101 -16.163 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.117 -8.635 -15.790 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.583 -7.704 -17.233 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.518 -4.936 -15.916 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.805 -5.542 -16.986 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.210 -4.927 -15.366 1.00 0.00 H new ATOM 1217 N GLU A 83 -9.916 -7.680 -14.640 1.00 0.00 N ATOM 1218 CA GLU A 83 -11.284 -7.635 -15.228 1.00 0.00 C ATOM 1219 C GLU A 83 -11.974 -6.337 -14.801 1.00 0.00 C ATOM 1220 O GLU A 83 -12.423 -5.563 -15.623 1.00 0.00 O ATOM 1221 CB GLU A 83 -12.096 -8.832 -14.729 1.00 0.00 C ATOM 1222 CG GLU A 83 -13.462 -8.846 -15.415 1.00 0.00 C ATOM 1223 CD GLU A 83 -14.290 -10.014 -14.878 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -13.961 -11.145 -15.196 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -15.241 -9.758 -14.156 1.00 0.00 O ATOM 0 H GLU A 83 -9.787 -8.360 -13.891 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.215 -7.674 -16.315 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.563 -9.759 -14.939 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.221 -8.774 -13.648 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.981 -7.905 -15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.338 -8.940 -16.494 1.00 0.00 H new ATOM 1232 N GLU A 84 -12.059 -6.093 -13.523 1.00 0.00 N ATOM 1233 CA GLU A 84 -12.715 -4.845 -13.045 1.00 0.00 C ATOM 1234 C GLU A 84 -11.877 -3.638 -13.474 1.00 0.00 C ATOM 1235 O GLU A 84 -12.393 -2.566 -13.717 1.00 0.00 O ATOM 1236 CB GLU A 84 -12.822 -4.875 -11.518 1.00 0.00 C ATOM 1237 CG GLU A 84 -13.744 -6.020 -11.094 1.00 0.00 C ATOM 1238 CD GLU A 84 -13.235 -6.629 -9.786 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -12.079 -7.016 -9.746 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -14.011 -6.698 -8.847 1.00 0.00 O ATOM 0 H GLU A 84 -11.702 -6.705 -12.789 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.713 -4.770 -13.476 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.834 -5.006 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.211 -3.925 -11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.762 -5.652 -10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.777 -6.782 -11.873 1.00 0.00 H new ATOM 1247 N ALA A 85 -10.586 -3.808 -13.574 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.718 -2.673 -13.993 1.00 0.00 C ATOM 1249 C ALA A 85 -9.844 -2.474 -15.504 1.00 0.00 C ATOM 1250 O ALA A 85 -9.608 -1.400 -16.021 1.00 0.00 O ATOM 1251 CB ALA A 85 -8.263 -2.985 -13.634 1.00 0.00 C ATOM 0 H ALA A 85 -10.097 -4.683 -13.384 1.00 0.00 H new ATOM 0 HA ALA A 85 -10.028 -1.763 -13.479 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.627 -2.155 -13.940 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.177 -3.130 -12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.948 -3.893 -14.149 1.00 0.00 H new ATOM 1257 N GLY A 86 -10.218 -3.502 -16.216 1.00 0.00 N ATOM 1258 CA GLY A 86 -10.363 -3.375 -17.694 1.00 0.00 C ATOM 1259 C GLY A 86 -11.842 -3.212 -18.047 1.00 0.00 C ATOM 1260 O GLY A 86 -12.368 -3.902 -18.897 1.00 0.00 O ATOM 0 H GLY A 86 -10.430 -4.425 -15.838 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.795 -2.517 -18.054 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.955 -4.257 -18.188 1.00 0.00 H new ATOM 1264 N ALA A 87 -12.517 -2.303 -17.399 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.963 -2.094 -17.694 1.00 0.00 C ATOM 1266 C ALA A 87 -14.452 -0.834 -16.974 1.00 0.00 C ATOM 1267 O ALA A 87 -15.331 -0.140 -17.445 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.763 -3.304 -17.207 1.00 0.00 C ATOM 0 H ALA A 87 -12.129 -1.695 -16.677 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.102 -1.976 -18.769 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.821 -3.152 -17.422 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.414 -4.201 -17.719 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.625 -3.423 -16.132 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.889 -0.536 -15.835 1.00 0.00 N ATOM 1275 CA ILE A 88 -14.317 0.676 -15.083 1.00 0.00 C ATOM 1276 C ILE A 88 -14.648 1.803 -16.064 1.00 0.00 C ATOM 1277 O ILE A 88 -15.394 2.710 -15.755 1.00 0.00 O ATOM 1278 CB ILE A 88 -13.185 1.125 -14.158 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.852 0.593 -14.691 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -13.424 0.576 -12.750 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.701 1.194 -13.882 1.00 0.00 C ATOM 0 H ILE A 88 -13.149 -1.081 -15.392 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.202 0.440 -14.493 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.157 2.214 -14.122 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.829 -0.495 -14.623 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.742 0.849 -15.745 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.616 0.897 -12.092 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.373 0.952 -12.369 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.453 -0.513 -12.784 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.752 0.815 -14.262 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.720 2.280 -13.973 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.809 0.916 -12.834 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.095 1.755 -17.247 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.377 2.826 -18.243 1.00 0.00 C ATOM 1295 C LYS A 89 -13.899 4.171 -17.689 1.00 0.00 C ATOM 1296 O LYS A 89 -13.476 4.269 -16.554 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.882 2.888 -18.518 1.00 0.00 C ATOM 1298 CG LYS A 89 -16.179 2.258 -19.880 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.664 1.899 -19.966 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.960 1.268 -21.328 1.00 0.00 C ATOM 1301 NZ LYS A 89 -18.189 2.343 -22.334 1.00 0.00 N ATOM 0 H LYS A 89 -13.462 1.021 -17.565 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.851 2.608 -19.172 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.427 2.361 -17.735 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.223 3.923 -18.502 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.915 2.952 -20.678 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.570 1.365 -20.020 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.928 1.206 -19.167 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.273 2.792 -19.827 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.127 0.637 -21.637 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.838 0.626 -21.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.390 1.915 -23.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.997 2.927 -22.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.339 2.938 -22.405 1.00 0.00 H new ATOM 1315 N ASN A 90 -13.955 5.206 -18.481 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.497 6.539 -17.996 1.00 0.00 C ATOM 1317 C ASN A 90 -14.696 7.344 -17.489 1.00 0.00 C ATOM 1318 O ASN A 90 -14.630 7.995 -16.464 1.00 0.00 O ATOM 1319 CB ASN A 90 -12.826 7.294 -19.145 1.00 0.00 C ATOM 1320 CG ASN A 90 -13.897 7.852 -20.084 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -14.802 7.146 -20.481 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -13.831 9.101 -20.458 1.00 0.00 N ATOM 0 H ASN A 90 -14.297 5.187 -19.442 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.785 6.402 -17.182 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -12.213 8.105 -18.752 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -12.159 6.627 -19.692 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -14.540 9.484 -21.084 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.071 9.694 -20.124 1.00 0.00 H new ATOM 1329 N SER A 91 -15.789 7.309 -18.198 1.00 0.00 N ATOM 1330 CA SER A 91 -16.990 8.075 -17.759 1.00 0.00 C ATOM 1331 C SER A 91 -17.328 7.718 -16.309 1.00 0.00 C ATOM 1332 O SER A 91 -17.522 8.581 -15.477 1.00 0.00 O ATOM 1333 CB SER A 91 -18.175 7.723 -18.659 1.00 0.00 C ATOM 1334 OG SER A 91 -18.467 6.338 -18.528 1.00 0.00 O ATOM 0 H SER A 91 -15.904 6.782 -19.064 1.00 0.00 H new ATOM 0 HA SER A 91 -16.782 9.143 -17.829 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.046 8.318 -18.383 1.00 0.00 H new ATOM 0 HB3 SER A 91 -17.942 7.961 -19.697 1.00 0.00 H new ATOM 0 HG SER A 91 -19.227 6.108 -19.102 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.407 6.452 -16.001 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.738 6.043 -14.607 1.00 0.00 C ATOM 1342 C GLN A 92 -16.939 6.891 -13.615 1.00 0.00 C ATOM 1343 O GLN A 92 -17.492 7.665 -12.858 1.00 0.00 O ATOM 1344 CB GLN A 92 -17.388 4.566 -14.412 1.00 0.00 C ATOM 1345 CG GLN A 92 -17.599 4.182 -12.946 1.00 0.00 C ATOM 1346 CD GLN A 92 -18.197 2.776 -12.866 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -19.377 2.618 -12.624 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -17.428 1.740 -13.060 1.00 0.00 N ATOM 0 H GLN A 92 -17.257 5.684 -16.655 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.803 6.192 -14.432 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.012 3.945 -15.055 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -16.353 4.385 -14.701 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -16.650 4.216 -12.410 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.263 4.899 -12.464 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.437 1.871 -13.263 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.818 0.799 -13.008 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.642 6.750 -13.608 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.808 7.543 -12.659 1.00 0.00 C ATOM 1359 C ILE A 93 -15.017 9.038 -12.913 1.00 0.00 C ATOM 1360 O ILE A 93 -14.949 9.848 -12.009 1.00 0.00 O ATOM 1361 CB ILE A 93 -13.333 7.193 -12.869 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -13.035 5.835 -12.227 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -12.455 8.265 -12.219 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.598 5.420 -12.548 1.00 0.00 C ATOM 0 H ILE A 93 -15.123 6.119 -14.219 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.100 7.307 -11.636 1.00 0.00 H new ATOM 0 HB ILE A 93 -13.120 7.147 -13.937 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -13.175 5.893 -11.148 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.733 5.085 -12.599 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -11.405 8.015 -12.369 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.666 9.233 -12.673 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -12.668 8.311 -11.151 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -11.388 4.453 -12.090 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -11.474 5.345 -13.628 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.907 6.166 -12.154 1.00 0.00 H new ATOM 1376 N ALA A 94 -15.268 9.413 -14.138 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.475 10.856 -14.451 1.00 0.00 C ATOM 1378 C ALA A 94 -16.645 11.404 -13.630 1.00 0.00 C ATOM 1379 O ALA A 94 -16.661 12.559 -13.251 1.00 0.00 O ATOM 1380 CB ALA A 94 -15.783 11.010 -15.942 1.00 0.00 C ATOM 0 H ALA A 94 -15.339 8.782 -14.936 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.571 11.412 -14.202 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.935 12.064 -16.175 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.948 10.626 -16.528 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.686 10.450 -16.187 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.627 10.592 -13.355 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.794 11.075 -12.564 1.00 0.00 C ATOM 1388 C GLU A 95 -18.473 10.994 -11.069 1.00 0.00 C ATOM 1389 O GLU A 95 -18.914 11.812 -10.286 1.00 0.00 O ATOM 1390 CB GLU A 95 -20.014 10.204 -12.868 1.00 0.00 C ATOM 1391 CG GLU A 95 -19.808 9.485 -14.204 1.00 0.00 C ATOM 1392 CD GLU A 95 -21.167 9.124 -14.806 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -22.163 9.630 -14.316 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -21.188 8.348 -15.746 1.00 0.00 O ATOM 0 H GLU A 95 -17.672 9.615 -13.644 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.007 12.109 -12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.162 9.476 -12.070 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.913 10.820 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -19.253 10.124 -14.891 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.213 8.584 -14.056 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.713 10.014 -10.667 1.00 0.00 N ATOM 1402 CA GLU A 96 -17.370 9.883 -9.224 1.00 0.00 C ATOM 1403 C GLU A 96 -16.721 11.177 -8.729 1.00 0.00 C ATOM 1404 O GLU A 96 -17.021 11.661 -7.655 1.00 0.00 O ATOM 1405 CB GLU A 96 -16.396 8.718 -9.037 1.00 0.00 C ATOM 1406 CG GLU A 96 -17.162 7.396 -9.130 1.00 0.00 C ATOM 1407 CD GLU A 96 -16.292 6.263 -8.583 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -16.002 6.285 -7.398 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -15.932 5.393 -9.359 1.00 0.00 O ATOM 0 H GLU A 96 -17.315 9.298 -11.275 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.278 9.695 -8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.617 8.754 -9.799 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.899 8.796 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.091 7.461 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.433 7.193 -10.166 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.835 11.744 -9.501 1.00 0.00 N ATOM 1417 CA LEU A 97 -15.171 13.006 -9.070 1.00 0.00 C ATOM 1418 C LEU A 97 -16.075 14.195 -9.405 1.00 0.00 C ATOM 1419 O LEU A 97 -16.043 15.217 -8.748 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.836 13.156 -9.802 1.00 0.00 C ATOM 1421 CG LEU A 97 -13.014 11.879 -9.623 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -11.851 11.879 -10.617 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -12.464 11.822 -8.196 1.00 0.00 C ATOM 0 H LEU A 97 -15.542 11.388 -10.411 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.993 12.976 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.009 13.345 -10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.288 14.013 -9.410 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.648 11.011 -9.803 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.264 10.969 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.241 11.920 -11.634 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.218 12.747 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.878 10.912 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.830 12.690 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.292 11.823 -7.487 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.883 14.068 -10.421 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.792 15.186 -10.799 1.00 0.00 C ATOM 1437 C GLU A 98 -16.965 16.382 -11.278 1.00 0.00 C ATOM 1438 O GLU A 98 -16.827 17.374 -10.590 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.632 15.596 -9.584 1.00 0.00 C ATOM 1440 CG GLU A 98 -20.103 15.265 -9.842 1.00 0.00 C ATOM 1441 CD GLU A 98 -20.978 15.989 -8.817 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -20.473 16.892 -8.170 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -22.136 15.628 -8.696 1.00 0.00 O ATOM 0 H GLU A 98 -16.953 13.236 -11.007 1.00 0.00 H new ATOM 0 HA GLU A 98 -18.452 14.859 -11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.282 15.073 -8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.517 16.663 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.383 15.566 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.261 14.189 -9.775 1.00 0.00 H new ATOM 1450 N LEU A 99 -16.417 16.298 -12.459 1.00 0.00 N ATOM 1451 CA LEU A 99 -15.606 17.431 -12.985 1.00 0.00 C ATOM 1452 C LEU A 99 -16.171 17.867 -14.340 1.00 0.00 C ATOM 1453 O LEU A 99 -16.706 17.069 -15.083 1.00 0.00 O ATOM 1454 CB LEU A 99 -14.150 16.989 -13.152 1.00 0.00 C ATOM 1455 CG LEU A 99 -14.078 15.803 -14.116 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -12.915 16.007 -15.089 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -13.855 14.515 -13.321 1.00 0.00 C ATOM 0 H LEU A 99 -16.496 15.494 -13.082 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.647 18.266 -12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.550 17.816 -13.532 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -13.731 16.710 -12.185 1.00 0.00 H new ATOM 0 HG LEU A 99 -15.011 15.731 -14.674 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -12.863 15.162 -15.776 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.071 16.926 -15.654 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -11.982 16.078 -14.531 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.803 13.669 -14.006 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.921 14.588 -12.764 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.682 14.369 -12.626 1.00 0.00 H new ATOM 1469 N PRO A 100 -16.054 19.128 -14.654 1.00 0.00 N ATOM 1470 CA PRO A 100 -16.564 19.686 -15.939 1.00 0.00 C ATOM 1471 C PRO A 100 -15.845 19.088 -17.154 1.00 0.00 C ATOM 1472 O PRO A 100 -14.685 18.734 -17.086 1.00 0.00 O ATOM 1473 CB PRO A 100 -16.283 21.190 -15.837 1.00 0.00 C ATOM 1474 CG PRO A 100 -15.253 21.342 -14.765 1.00 0.00 C ATOM 1475 CD PRO A 100 -15.422 20.156 -13.818 1.00 0.00 C ATOM 0 HA PRO A 100 -17.620 19.456 -16.083 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -15.920 21.585 -16.786 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.190 21.741 -15.588 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -14.250 21.356 -15.192 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.386 22.284 -14.232 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.463 19.818 -13.425 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -16.045 20.414 -12.961 1.00 0.00 H new ATOM 1483 N PRO A 101 -16.537 18.974 -18.257 1.00 0.00 N ATOM 1484 CA PRO A 101 -15.965 18.407 -19.514 1.00 0.00 C ATOM 1485 C PRO A 101 -14.867 19.294 -20.106 1.00 0.00 C ATOM 1486 O PRO A 101 -14.368 19.042 -21.185 1.00 0.00 O ATOM 1487 CB PRO A 101 -17.161 18.330 -20.468 1.00 0.00 C ATOM 1488 CG PRO A 101 -18.168 19.295 -19.933 1.00 0.00 C ATOM 1489 CD PRO A 101 -17.940 19.377 -18.425 1.00 0.00 C ATOM 0 HA PRO A 101 -15.491 17.442 -19.336 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.868 18.593 -21.485 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.568 17.320 -20.505 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -18.049 20.275 -20.396 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -19.181 18.959 -20.153 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -18.114 20.385 -18.049 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -18.614 18.714 -17.882 1.00 0.00 H new ATOM 1497 N VAL A 102 -14.486 20.330 -19.411 1.00 0.00 N ATOM 1498 CA VAL A 102 -13.420 21.227 -19.938 1.00 0.00 C ATOM 1499 C VAL A 102 -12.104 20.455 -20.033 1.00 0.00 C ATOM 1500 O VAL A 102 -11.318 20.658 -20.937 1.00 0.00 O ATOM 1501 CB VAL A 102 -13.245 22.419 -18.998 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -13.055 21.916 -17.567 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -12.015 23.225 -19.422 1.00 0.00 C ATOM 0 H VAL A 102 -14.866 20.594 -18.502 1.00 0.00 H new ATOM 0 HA VAL A 102 -13.704 21.584 -20.928 1.00 0.00 H new ATOM 0 HB VAL A 102 -14.130 23.053 -19.046 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.930 22.766 -16.896 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.930 21.340 -17.264 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.169 21.282 -17.519 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -11.889 24.076 -18.752 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -11.130 22.591 -19.374 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.149 23.583 -20.443 1.00 0.00 H new ATOM 1513 N LYS A 103 -11.854 19.570 -19.106 1.00 0.00 N ATOM 1514 CA LYS A 103 -10.587 18.788 -19.147 1.00 0.00 C ATOM 1515 C LYS A 103 -10.883 17.315 -18.857 1.00 0.00 C ATOM 1516 O LYS A 103 -10.165 16.661 -18.127 1.00 0.00 O ATOM 1517 CB LYS A 103 -9.616 19.330 -18.095 1.00 0.00 C ATOM 1518 CG LYS A 103 -10.106 18.941 -16.698 1.00 0.00 C ATOM 1519 CD LYS A 103 -9.752 20.051 -15.706 1.00 0.00 C ATOM 1520 CE LYS A 103 -9.632 19.462 -14.299 1.00 0.00 C ATOM 1521 NZ LYS A 103 -10.316 20.360 -13.325 1.00 0.00 N ATOM 0 H LYS A 103 -12.472 19.356 -18.323 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.139 18.879 -20.136 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.617 18.929 -18.266 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.543 20.414 -18.177 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.184 18.780 -16.711 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.647 18.002 -16.388 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.814 20.525 -15.994 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.518 20.826 -15.723 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.079 18.468 -14.270 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.582 19.347 -14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.235 19.960 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.870 21.299 -13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -11.321 20.447 -13.580 1.00 0.00 H new ATOM 1535 N VAL A 104 -11.934 16.786 -19.422 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.270 15.355 -19.176 1.00 0.00 C ATOM 1537 C VAL A 104 -11.093 14.480 -19.611 1.00 0.00 C ATOM 1538 O VAL A 104 -10.976 13.337 -19.214 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.515 14.973 -19.980 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -13.158 14.885 -21.466 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -14.032 13.615 -19.500 1.00 0.00 C ATOM 0 H VAL A 104 -12.574 17.282 -20.042 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.467 15.204 -18.115 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.286 15.730 -19.837 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.045 14.613 -22.038 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.787 15.851 -21.809 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.387 14.128 -21.611 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.919 13.341 -20.071 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.259 12.860 -19.644 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.286 13.676 -18.442 1.00 0.00 H new ATOM 1551 N HIS A 105 -10.219 15.006 -20.425 1.00 0.00 N ATOM 1552 CA HIS A 105 -9.050 14.205 -20.884 1.00 0.00 C ATOM 1553 C HIS A 105 -8.432 13.480 -19.688 1.00 0.00 C ATOM 1554 O HIS A 105 -7.786 12.461 -19.834 1.00 0.00 O ATOM 1555 CB HIS A 105 -8.012 15.133 -21.517 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.222 15.820 -20.437 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -6.230 15.374 -19.601 1.00 0.00 N flip ATOM 1558 CD2 HIS A 105 -7.418 17.155 -20.115 1.00 0.00 C flip ATOM 1559 CE1 HIS A 105 -5.817 16.414 -18.776 1.00 0.00 C flip ATOM 1560 NE2 HIS A 105 -6.562 17.463 -19.123 1.00 0.00 N flip ATOM 0 H HIS A 105 -10.264 15.957 -20.792 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.376 13.473 -21.623 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -7.344 14.562 -22.162 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -8.507 15.873 -22.146 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -8.128 17.825 -20.576 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.053 16.379 -18.014 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -6.492 18.384 -18.691 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.627 13.992 -18.504 1.00 0.00 N ATOM 1569 CA CYS A 106 -8.053 13.327 -17.302 1.00 0.00 C ATOM 1570 C CYS A 106 -8.708 11.954 -17.125 1.00 0.00 C ATOM 1571 O CYS A 106 -8.042 10.960 -16.915 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.321 14.188 -16.066 1.00 0.00 C ATOM 1573 SG CYS A 106 -8.575 13.122 -14.625 1.00 0.00 S ATOM 0 H CYS A 106 -9.159 14.842 -18.318 1.00 0.00 H new ATOM 0 HA CYS A 106 -6.977 13.204 -17.428 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -7.481 14.860 -15.890 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -9.200 14.812 -16.229 1.00 0.00 H new ATOM 0 HG CYS A 106 -8.800 13.856 -13.576 1.00 0.00 H new ATOM 1579 N SER A 107 -10.008 11.895 -17.211 1.00 0.00 N ATOM 1580 CA SER A 107 -10.708 10.590 -17.050 1.00 0.00 C ATOM 1581 C SER A 107 -10.321 9.660 -18.202 1.00 0.00 C ATOM 1582 O SER A 107 -9.938 8.525 -17.996 1.00 0.00 O ATOM 1583 CB SER A 107 -12.220 10.819 -17.066 1.00 0.00 C ATOM 1584 OG SER A 107 -12.486 12.160 -17.457 1.00 0.00 O ATOM 0 H SER A 107 -10.616 12.695 -17.386 1.00 0.00 H new ATOM 0 HA SER A 107 -10.419 10.135 -16.102 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.698 10.125 -17.757 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.640 10.625 -16.079 1.00 0.00 H new ATOM 0 HG SER A 107 -12.041 12.346 -18.310 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.416 10.134 -19.415 1.00 0.00 N ATOM 1591 CA ILE A 108 -10.053 9.282 -20.580 1.00 0.00 C ATOM 1592 C ILE A 108 -8.618 8.777 -20.412 1.00 0.00 C ATOM 1593 O ILE A 108 -8.283 7.682 -20.817 1.00 0.00 O ATOM 1594 CB ILE A 108 -10.159 10.102 -21.867 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -11.628 10.434 -22.140 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -9.592 9.296 -23.036 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -12.281 9.281 -22.905 1.00 0.00 C ATOM 0 H ILE A 108 -10.730 11.076 -19.648 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.734 8.433 -20.636 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.592 11.026 -21.756 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -12.154 10.604 -21.200 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.702 11.355 -22.718 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.668 9.881 -23.952 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.546 9.060 -22.842 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.157 8.371 -23.148 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -13.327 9.519 -23.099 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.762 9.132 -23.852 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -12.220 8.369 -22.311 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.768 9.569 -19.815 1.00 0.00 N ATOM 1610 CA LEU A 109 -6.356 9.134 -19.620 1.00 0.00 C ATOM 1611 C LEU A 109 -6.323 7.915 -18.697 1.00 0.00 C ATOM 1612 O LEU A 109 -5.890 6.849 -19.079 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.552 10.275 -18.989 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.510 10.780 -19.989 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.216 11.437 -21.175 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.602 11.805 -19.306 1.00 0.00 C ATOM 0 H LEU A 109 -7.991 10.497 -19.455 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.919 8.873 -20.584 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.219 11.088 -18.701 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.061 9.928 -18.080 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.911 9.941 -20.342 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.473 11.797 -21.887 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.863 10.708 -21.663 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.816 12.276 -20.822 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.859 12.165 -20.018 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.202 12.644 -18.952 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.097 11.338 -18.461 1.00 0.00 H new ATOM 1628 N ALA A 110 -6.780 8.064 -17.484 1.00 0.00 N ATOM 1629 CA ALA A 110 -6.775 6.911 -16.541 1.00 0.00 C ATOM 1630 C ALA A 110 -7.181 5.638 -17.289 1.00 0.00 C ATOM 1631 O ALA A 110 -6.487 4.640 -17.261 1.00 0.00 O ATOM 1632 CB ALA A 110 -7.772 7.176 -15.412 1.00 0.00 C ATOM 0 H ALA A 110 -7.156 8.933 -17.106 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.776 6.785 -16.125 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.771 6.334 -14.720 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.486 8.083 -14.880 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.771 7.300 -15.830 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.303 5.665 -17.956 1.00 0.00 N ATOM 1639 CA GLU A 111 -8.754 4.457 -18.702 1.00 0.00 C ATOM 1640 C GLU A 111 -7.721 4.101 -19.775 1.00 0.00 C ATOM 1641 O GLU A 111 -7.180 3.013 -19.792 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.102 4.742 -19.367 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.739 3.425 -19.816 1.00 0.00 C ATOM 1644 CD GLU A 111 -11.177 2.625 -18.588 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -11.374 3.232 -17.549 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -11.310 1.418 -18.709 1.00 0.00 O ATOM 0 H GLU A 111 -8.926 6.471 -18.016 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.859 3.622 -18.009 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.762 5.258 -18.669 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.965 5.402 -20.223 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.597 3.624 -20.458 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.027 2.847 -20.405 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.444 5.009 -20.671 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.448 4.722 -21.743 1.00 0.00 C ATOM 1655 C ASP A 112 -5.212 4.057 -21.132 1.00 0.00 C ATOM 1656 O ASP A 112 -4.580 3.219 -21.745 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.038 6.032 -22.419 1.00 0.00 C ATOM 1658 CG ASP A 112 -7.035 6.370 -23.529 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -8.188 5.992 -23.396 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -6.630 7.000 -24.491 1.00 0.00 O ATOM 0 H ASP A 112 -7.864 5.938 -20.707 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.892 4.053 -22.480 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.008 6.838 -21.685 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.034 5.941 -22.833 1.00 0.00 H new ATOM 1665 N ALA A 113 -4.861 4.425 -19.931 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.666 3.817 -19.283 1.00 0.00 C ATOM 1667 C ALA A 113 -3.911 2.326 -19.048 1.00 0.00 C ATOM 1668 O ALA A 113 -3.302 1.481 -19.674 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.408 4.508 -17.942 1.00 0.00 C ATOM 0 H ALA A 113 -5.351 5.122 -19.370 1.00 0.00 H new ATOM 0 HA ALA A 113 -2.799 3.943 -19.932 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.534 4.064 -17.466 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.230 5.570 -18.108 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.276 4.382 -17.295 1.00 0.00 H new ATOM 1675 N ILE A 114 -4.794 1.994 -18.146 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.070 0.556 -17.872 1.00 0.00 C ATOM 1677 C ILE A 114 -5.029 -0.233 -19.184 1.00 0.00 C ATOM 1678 O ILE A 114 -4.605 -1.370 -19.223 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.448 0.414 -17.216 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.427 -0.769 -16.244 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.514 0.170 -18.290 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -5.977 -0.286 -14.863 1.00 0.00 C ATOM 0 H ILE A 114 -5.335 2.655 -17.588 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.312 0.161 -17.196 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.685 1.331 -16.676 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.418 -1.218 -16.179 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.750 -1.542 -16.609 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.491 0.070 -17.817 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.531 1.011 -18.983 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.279 -0.745 -18.834 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.962 -1.128 -14.170 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.977 0.143 -14.935 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.671 0.471 -14.498 1.00 0.00 H new ATOM 1694 N LYS A 115 -5.469 0.363 -20.260 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.453 -0.355 -21.566 1.00 0.00 C ATOM 1696 C LYS A 115 -4.005 -0.620 -21.984 1.00 0.00 C ATOM 1697 O LYS A 115 -3.554 -1.748 -22.006 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.142 0.505 -22.630 1.00 0.00 C ATOM 1699 CG LYS A 115 -6.845 -0.400 -23.643 1.00 0.00 C ATOM 1700 CD LYS A 115 -7.078 0.373 -24.944 1.00 0.00 C ATOM 1701 CE LYS A 115 -5.800 0.356 -25.783 1.00 0.00 C ATOM 1702 NZ LYS A 115 -5.909 -0.692 -26.836 1.00 0.00 N ATOM 0 H LYS A 115 -5.838 1.314 -20.291 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.982 -1.303 -21.466 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.864 1.173 -22.161 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.409 1.133 -23.136 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.239 -1.285 -23.837 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.796 -0.747 -23.238 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.899 -0.075 -25.504 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.367 1.400 -24.722 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.641 1.332 -26.242 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.937 0.158 -25.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.039 -0.703 -27.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.041 -1.621 -26.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.723 -0.484 -27.450 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.274 0.409 -22.314 1.00 0.00 N ATOM 1717 CA ALA A 116 -1.857 0.213 -22.728 1.00 0.00 C ATOM 1718 C ALA A 116 -1.190 -0.792 -21.788 1.00 0.00 C ATOM 1719 O ALA A 116 -0.510 -1.703 -22.217 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.114 1.548 -22.660 1.00 0.00 C ATOM 0 H ALA A 116 -3.597 1.377 -22.315 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.825 -0.166 -23.750 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.077 1.403 -22.963 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.591 2.264 -23.329 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.144 1.929 -21.639 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.380 -0.634 -20.505 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.758 -1.580 -19.538 1.00 0.00 C ATOM 1728 C ALA A 117 -1.174 -3.012 -19.886 1.00 0.00 C ATOM 1729 O ALA A 117 -0.381 -3.930 -19.828 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.228 -1.245 -18.121 1.00 0.00 C ATOM 0 H ALA A 117 -1.939 0.109 -20.087 1.00 0.00 H new ATOM 0 HA ALA A 117 0.327 -1.492 -19.592 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.773 -1.938 -17.413 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.934 -0.226 -17.872 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.313 -1.333 -18.067 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.412 -3.207 -20.246 1.00 0.00 N ATOM 1737 CA ILE A 118 -2.880 -4.578 -20.597 1.00 0.00 C ATOM 1738 C ILE A 118 -2.155 -5.056 -21.857 1.00 0.00 C ATOM 1739 O ILE A 118 -1.661 -6.164 -21.918 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.386 -4.552 -20.856 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.129 -4.413 -19.525 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -4.810 -5.852 -21.541 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.535 -3.866 -19.781 1.00 0.00 C ATOM 0 H ILE A 118 -3.121 -2.476 -20.313 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.665 -5.258 -19.773 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.629 -3.707 -21.500 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.189 -5.381 -19.027 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.583 -3.745 -18.859 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -5.884 -5.833 -21.725 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.281 -5.953 -22.489 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.567 -6.698 -20.898 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.065 -3.767 -18.834 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.464 -2.890 -20.261 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.079 -4.551 -20.431 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.087 -4.228 -22.863 1.00 0.00 N ATOM 1756 CA ALA A 119 -1.395 -4.634 -24.116 1.00 0.00 C ATOM 1757 C ALA A 119 0.001 -5.163 -23.780 1.00 0.00 C ATOM 1758 O ALA A 119 0.342 -6.286 -24.092 1.00 0.00 O ATOM 1759 CB ALA A 119 -1.272 -3.425 -25.045 1.00 0.00 C ATOM 0 H ALA A 119 -2.481 -3.287 -22.870 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.970 -5.416 -24.611 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.765 -3.722 -25.963 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.266 -3.048 -25.285 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.697 -2.643 -24.550 1.00 0.00 H new ATOM 1765 N ASP A 120 0.811 -4.361 -23.146 1.00 0.00 N ATOM 1766 CA ASP A 120 2.186 -4.813 -22.790 1.00 0.00 C ATOM 1767 C ASP A 120 2.120 -6.187 -22.116 1.00 0.00 C ATOM 1768 O ASP A 120 2.699 -7.147 -22.586 1.00 0.00 O ATOM 1769 CB ASP A 120 2.818 -3.804 -21.829 1.00 0.00 C ATOM 1770 CG ASP A 120 2.946 -2.447 -22.525 1.00 0.00 C ATOM 1771 OD1 ASP A 120 1.952 -1.744 -22.596 1.00 0.00 O ATOM 1772 OD2 ASP A 120 4.035 -2.135 -22.977 1.00 0.00 O ATOM 0 H ASP A 120 0.580 -3.410 -22.858 1.00 0.00 H new ATOM 0 HA ASP A 120 2.789 -4.885 -23.695 1.00 0.00 H new ATOM 0 HB2 ASP A 120 2.207 -3.708 -20.932 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.799 -4.155 -21.510 1.00 0.00 H new ATOM 1777 N TYR A 121 1.426 -6.288 -21.016 1.00 0.00 N ATOM 1778 CA TYR A 121 1.329 -7.597 -20.311 1.00 0.00 C ATOM 1779 C TYR A 121 0.905 -8.686 -21.301 1.00 0.00 C ATOM 1780 O TYR A 121 1.125 -9.860 -21.075 1.00 0.00 O ATOM 1781 CB TYR A 121 0.294 -7.498 -19.188 1.00 0.00 C ATOM 1782 CG TYR A 121 -0.261 -8.871 -18.886 1.00 0.00 C ATOM 1783 CD1 TYR A 121 0.472 -9.764 -18.095 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -1.507 -9.251 -19.400 1.00 0.00 C ATOM 1785 CE1 TYR A 121 -0.042 -11.037 -17.819 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -2.020 -10.523 -19.123 1.00 0.00 C ATOM 1787 CZ TYR A 121 -1.287 -11.416 -18.332 1.00 0.00 C ATOM 1788 OH TYR A 121 -1.793 -12.671 -18.060 1.00 0.00 O ATOM 0 H TYR A 121 0.921 -5.519 -20.574 1.00 0.00 H new ATOM 0 HA TYR A 121 2.301 -7.851 -19.889 1.00 0.00 H new ATOM 0 HB2 TYR A 121 0.752 -7.075 -18.294 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.512 -6.825 -19.481 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.433 -9.471 -17.698 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -2.072 -8.562 -20.010 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.523 -11.727 -17.210 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.981 -10.816 -19.519 1.00 0.00 H new ATOM 0 HH TYR A 121 -2.667 -12.772 -18.491 1.00 0.00 H new ATOM 1798 N LYS A 122 0.297 -8.311 -22.392 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.141 -9.331 -23.386 1.00 0.00 C ATOM 1800 C LYS A 122 0.904 -9.451 -24.497 1.00 0.00 C ATOM 1801 O LYS A 122 0.835 -10.328 -25.335 1.00 0.00 O ATOM 1802 CB LYS A 122 -1.481 -8.910 -23.993 1.00 0.00 C ATOM 1803 CG LYS A 122 -1.961 -9.987 -24.967 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.476 -10.150 -24.841 1.00 0.00 C ATOM 1805 CE LYS A 122 -3.924 -11.390 -25.616 1.00 0.00 C ATOM 1806 NZ LYS A 122 -3.412 -12.612 -24.934 1.00 0.00 N ATOM 0 H LYS A 122 0.085 -7.344 -22.638 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.252 -10.294 -22.888 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.219 -8.763 -23.205 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.374 -7.957 -24.512 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -1.698 -9.712 -25.988 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.464 -10.933 -24.753 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -3.756 -10.244 -23.792 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.981 -9.265 -25.228 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.012 -11.422 -25.675 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.550 -11.348 -26.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.022 -13.421 -25.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.441 -12.806 -25.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.415 -12.462 -23.905 1.00 0.00 H new ATOM 1820 N ALA A 123 1.872 -8.576 -24.513 1.00 0.00 N ATOM 1821 CA ALA A 123 2.916 -8.642 -25.573 1.00 0.00 C ATOM 1822 C ALA A 123 4.220 -9.174 -24.973 1.00 0.00 C ATOM 1823 O ALA A 123 5.167 -9.458 -25.678 1.00 0.00 O ATOM 1824 CB ALA A 123 3.150 -7.244 -26.146 1.00 0.00 C ATOM 0 H ALA A 123 1.985 -7.819 -23.838 1.00 0.00 H new ATOM 0 HA ALA A 123 2.584 -9.309 -26.369 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.914 -7.292 -26.922 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.222 -6.866 -26.574 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.481 -6.576 -25.351 1.00 0.00 H new ATOM 1830 N LYS A 124 4.276 -9.313 -23.676 1.00 0.00 N ATOM 1831 CA LYS A 124 5.519 -9.828 -23.036 1.00 0.00 C ATOM 1832 C LYS A 124 5.616 -11.339 -23.256 1.00 0.00 C ATOM 1833 O LYS A 124 6.660 -11.936 -23.082 1.00 0.00 O ATOM 1834 CB LYS A 124 5.481 -9.531 -21.535 1.00 0.00 C ATOM 1835 CG LYS A 124 6.578 -8.522 -21.184 1.00 0.00 C ATOM 1836 CD LYS A 124 6.329 -7.215 -21.938 1.00 0.00 C ATOM 1837 CE LYS A 124 7.638 -6.725 -22.561 1.00 0.00 C ATOM 1838 NZ LYS A 124 7.544 -5.261 -22.823 1.00 0.00 N ATOM 0 H LYS A 124 3.515 -9.092 -23.033 1.00 0.00 H new ATOM 0 HA LYS A 124 6.386 -9.340 -23.480 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.505 -9.134 -21.257 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.624 -10.451 -20.968 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.588 -8.338 -20.110 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.556 -8.925 -21.447 1.00 0.00 H new ATOM 0 HD2 LYS A 124 5.580 -7.368 -22.715 1.00 0.00 H new ATOM 0 HD3 LYS A 124 5.933 -6.461 -21.258 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.472 -6.933 -21.891 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.834 -7.260 -23.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.433 -4.926 -23.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 6.757 -5.075 -23.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.376 -4.758 -21.928 1.00 0.00 H new