USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 706 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 26 ASN : amide:sc= -1.75 K(o=-1.8,f=0.45) USER MOD Set 1.2: A 46 LYS NZ :NH3+ -171:sc= -0.0669 (180deg=0.178) USER MOD Set 2.1: A 41 MET CE :methyl -107:sc= -0.338 (180deg=-0.438) USER MOD Set 2.2: A 69 SER OG : rot -140:sc= -0.329 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -122:sc= -3.78! (180deg=-10.4!) USER MOD Single : A 37 CYS SG : rot 42:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0891) USER MOD Single : A 44 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -2.5! C(o=-2.5!,f=-8.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -84:sc= 0.141 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0267 USER MOD Single : A 86 GLN : amide:sc= 0.14 X(o=0.14,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc= -0.0109 (180deg=-0.15) USER MOD Single : A 90 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.6) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-1.7) USER MOD Single : A 106 CYS SG : rot 14:sc= 0.113 USER MOD Single : A 107 SER OG : rot -110:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -157:sc= -1.12! (180deg=-1.61!) USER MOD Single : A 121 TYR OH : rot 128:sc= 0.0337 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 88:sc= 0.629 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 26.155 20.602 -5.438 1.00 0.00 N ATOM 385 CA ASN A 26 25.368 21.596 -4.719 1.00 0.00 C ATOM 386 C ASN A 26 23.913 21.574 -5.177 1.00 0.00 C ATOM 387 O ASN A 26 23.227 22.596 -5.150 1.00 0.00 O ATOM 388 CB ASN A 26 25.959 22.992 -4.928 1.00 0.00 C ATOM 389 CG ASN A 26 26.496 23.189 -6.332 1.00 0.00 C ATOM 390 OD1 ASN A 26 27.692 23.408 -6.526 1.00 0.00 O ATOM 391 ND2 ASN A 26 25.612 23.111 -7.320 1.00 0.00 N ATOM 0 HA ASN A 26 25.399 21.350 -3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 26 25.194 23.741 -4.726 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.762 23.155 -4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 26 25.915 23.234 -8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 26 24.630 22.928 -7.113 1.00 0.00 H new ATOM 398 N VAL A 27 23.449 20.402 -5.597 1.00 0.00 N ATOM 399 CA VAL A 27 22.075 20.245 -6.059 1.00 0.00 C ATOM 400 C VAL A 27 21.264 19.388 -5.093 1.00 0.00 C ATOM 401 O VAL A 27 21.696 18.308 -4.692 1.00 0.00 O ATOM 402 CB VAL A 27 22.023 19.607 -7.461 1.00 0.00 C ATOM 403 CG1 VAL A 27 20.585 19.322 -7.865 1.00 0.00 C ATOM 404 CG2 VAL A 27 22.704 20.508 -8.480 1.00 0.00 C ATOM 0 H VAL A 27 24.004 19.547 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 27 21.642 21.244 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 27 22.560 18.659 -7.431 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.568 18.872 -8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.135 18.636 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.020 20.254 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.659 20.043 -9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 27 22.196 21.472 -8.510 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.746 20.656 -8.196 1.00 0.00 H new ATOM 414 N GLY A 28 20.085 19.878 -4.723 1.00 0.00 N ATOM 415 CA GLY A 28 19.231 19.145 -3.807 1.00 0.00 C ATOM 416 C GLY A 28 18.037 18.521 -4.501 1.00 0.00 C ATOM 417 O GLY A 28 17.428 19.136 -5.376 1.00 0.00 O ATOM 0 H GLY A 28 19.706 20.770 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.813 18.363 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.881 19.818 -3.024 1.00 0.00 H new ATOM 421 N SER A 29 17.701 17.295 -4.110 1.00 0.00 N ATOM 422 CA SER A 29 16.575 16.585 -4.705 1.00 0.00 C ATOM 423 C SER A 29 15.491 16.317 -3.664 1.00 0.00 C ATOM 424 O SER A 29 15.783 15.939 -2.531 1.00 0.00 O ATOM 425 CB SER A 29 17.044 15.266 -5.321 1.00 0.00 C ATOM 426 OG SER A 29 18.351 15.389 -5.854 1.00 0.00 O ATOM 0 H SER A 29 18.193 16.774 -3.384 1.00 0.00 H new ATOM 0 HA SER A 29 16.154 17.214 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.029 14.482 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.354 14.963 -6.108 1.00 0.00 H new ATOM 0 HG SER A 29 18.629 14.532 -6.240 1.00 0.00 H new ATOM 432 N GLY A 30 14.237 16.517 -4.060 1.00 0.00 N ATOM 433 CA GLY A 30 13.129 16.292 -3.151 1.00 0.00 C ATOM 434 C GLY A 30 12.059 15.402 -3.751 1.00 0.00 C ATOM 435 O GLY A 30 11.406 15.775 -4.725 1.00 0.00 O ATOM 0 H GLY A 30 13.970 16.830 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.502 15.838 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.688 17.250 -2.876 1.00 0.00 H new ATOM 439 N MET A 31 11.880 14.221 -3.168 1.00 0.00 N ATOM 440 CA MET A 31 10.881 13.274 -3.652 1.00 0.00 C ATOM 441 C MET A 31 9.912 12.889 -2.539 1.00 0.00 C ATOM 442 O MET A 31 10.327 12.463 -1.461 1.00 0.00 O ATOM 443 CB MET A 31 11.562 12.021 -4.207 1.00 0.00 C ATOM 444 CG MET A 31 10.584 10.959 -4.682 1.00 0.00 C ATOM 445 SD MET A 31 10.385 9.617 -3.494 1.00 0.00 S ATOM 446 CE MET A 31 8.657 9.804 -3.060 1.00 0.00 C ATOM 0 H MET A 31 12.413 13.897 -2.361 1.00 0.00 H new ATOM 0 HA MET A 31 10.316 13.756 -4.450 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.208 12.306 -5.037 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.203 11.594 -3.436 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.614 11.421 -4.868 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.930 10.550 -5.631 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.567 9.959 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.241 10.663 -3.586 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.111 8.904 -3.344 1.00 0.00 H new ATOM 456 N VAL A 32 8.619 13.043 -2.807 1.00 0.00 N ATOM 457 CA VAL A 32 7.591 12.710 -1.827 1.00 0.00 C ATOM 458 C VAL A 32 6.415 11.997 -2.486 1.00 0.00 C ATOM 459 O VAL A 32 6.127 12.209 -3.663 1.00 0.00 O ATOM 460 CB VAL A 32 7.075 13.970 -1.107 1.00 0.00 C ATOM 461 CG1 VAL A 32 8.225 14.723 -0.457 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.320 14.866 -2.076 1.00 0.00 C ATOM 0 H VAL A 32 8.259 13.396 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 32 8.052 12.045 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 32 6.385 13.661 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.841 15.610 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.718 14.078 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.942 15.022 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.963 15.751 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.985 15.168 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.471 14.322 -2.488 1.00 0.00 H new ATOM 472 N GLY A 33 5.739 11.149 -1.716 1.00 0.00 N ATOM 473 CA GLY A 33 4.601 10.417 -2.242 1.00 0.00 C ATOM 474 C GLY A 33 3.648 9.967 -1.152 1.00 0.00 C ATOM 475 O GLY A 33 3.917 10.156 0.034 1.00 0.00 O ATOM 0 H GLY A 33 5.959 10.956 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.065 11.046 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.956 9.546 -2.793 1.00 0.00 H new ATOM 479 N ALA A 34 2.531 9.371 -1.555 1.00 0.00 N ATOM 480 CA ALA A 34 1.535 8.892 -0.604 1.00 0.00 C ATOM 481 C ALA A 34 0.856 7.625 -1.112 1.00 0.00 C ATOM 482 O ALA A 34 0.735 7.396 -2.316 1.00 0.00 O ATOM 483 CB ALA A 34 0.501 9.975 -0.333 1.00 0.00 C ATOM 0 H ALA A 34 2.293 9.208 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 34 2.045 8.650 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.237 9.604 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.995 10.854 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.003 10.244 -1.265 1.00 0.00 H new ATOM 489 N PRO A 35 0.402 6.780 -0.175 1.00 0.00 N ATOM 490 CA PRO A 35 -0.273 5.521 -0.504 1.00 0.00 C ATOM 491 C PRO A 35 -1.654 5.745 -1.111 1.00 0.00 C ATOM 492 O PRO A 35 -1.988 5.169 -2.146 1.00 0.00 O ATOM 493 CB PRO A 35 -0.392 4.817 0.850 1.00 0.00 C ATOM 494 CG PRO A 35 -0.377 5.919 1.852 1.00 0.00 C ATOM 495 CD PRO A 35 0.511 6.988 1.279 1.00 0.00 C ATOM 0 HA PRO A 35 0.276 4.948 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.312 4.236 0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.435 4.125 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.383 6.300 2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.003 5.569 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.178 7.985 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.540 6.883 1.624 1.00 0.00 H new ATOM 503 N ALA A 36 -2.452 6.584 -0.460 1.00 0.00 N ATOM 504 CA ALA A 36 -3.796 6.886 -0.937 1.00 0.00 C ATOM 505 C ALA A 36 -3.761 7.916 -2.061 1.00 0.00 C ATOM 506 O ALA A 36 -4.689 8.001 -2.866 1.00 0.00 O ATOM 507 CB ALA A 36 -4.665 7.382 0.209 1.00 0.00 C ATOM 0 H ALA A 36 -2.191 7.067 0.400 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.228 5.968 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.666 7.603 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.726 6.613 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.227 8.286 0.633 1.00 0.00 H new ATOM 513 N CYS A 37 -2.687 8.696 -2.109 1.00 0.00 N ATOM 514 CA CYS A 37 -2.533 9.722 -3.134 1.00 0.00 C ATOM 515 C CYS A 37 -2.115 9.103 -4.464 1.00 0.00 C ATOM 516 O CYS A 37 -2.447 9.618 -5.531 1.00 0.00 O ATOM 517 CB CYS A 37 -1.499 10.760 -2.694 1.00 0.00 C ATOM 518 SG CYS A 37 -1.658 12.358 -3.526 1.00 0.00 S ATOM 0 H CYS A 37 -1.910 8.638 -1.450 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.496 10.214 -3.269 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.587 10.912 -1.618 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.501 10.364 -2.879 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.915 12.677 -3.617 1.00 0.00 H new ATOM 524 N GLY A 38 -1.383 7.995 -4.392 1.00 0.00 N ATOM 525 CA GLY A 38 -0.931 7.326 -5.598 1.00 0.00 C ATOM 526 C GLY A 38 -0.234 8.269 -6.558 1.00 0.00 C ATOM 527 O GLY A 38 -0.647 8.410 -7.709 1.00 0.00 O ATOM 0 H GLY A 38 -1.095 7.549 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.250 6.519 -5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.785 6.869 -6.098 1.00 0.00 H new ATOM 531 N ALA A 39 0.825 8.918 -6.085 1.00 0.00 N ATOM 532 CA ALA A 39 1.580 9.852 -6.910 1.00 0.00 C ATOM 533 C ALA A 39 2.938 10.160 -6.288 1.00 0.00 C ATOM 534 O ALA A 39 3.225 9.747 -5.164 1.00 0.00 O ATOM 535 CB ALA A 39 0.788 11.135 -7.115 1.00 0.00 C ATOM 0 H ALA A 39 1.179 8.814 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 39 1.751 9.385 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.364 11.823 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.155 10.905 -7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.587 11.597 -6.148 1.00 0.00 H new ATOM 541 N VAL A 40 3.771 10.887 -7.026 1.00 0.00 N ATOM 542 CA VAL A 40 5.099 11.251 -6.546 1.00 0.00 C ATOM 543 C VAL A 40 5.501 12.636 -7.039 1.00 0.00 C ATOM 544 O VAL A 40 5.351 12.954 -8.219 1.00 0.00 O ATOM 545 CB VAL A 40 6.159 10.229 -7.000 1.00 0.00 C ATOM 546 CG1 VAL A 40 7.495 10.514 -6.332 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.695 8.812 -6.699 1.00 0.00 C ATOM 0 H VAL A 40 3.550 11.236 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 40 5.052 11.256 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 40 6.291 10.323 -8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.231 9.782 -6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.831 11.515 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.382 10.449 -5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.455 8.103 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.534 8.702 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.763 8.614 -7.228 1.00 0.00 H new ATOM 557 N MET A 41 6.012 13.457 -6.128 1.00 0.00 N ATOM 558 CA MET A 41 6.438 14.809 -6.471 1.00 0.00 C ATOM 559 C MET A 41 7.960 14.910 -6.495 1.00 0.00 C ATOM 560 O MET A 41 8.610 14.905 -5.449 1.00 0.00 O ATOM 561 CB MET A 41 5.864 15.816 -5.472 1.00 0.00 C ATOM 562 CG MET A 41 4.769 16.694 -6.055 1.00 0.00 C ATOM 563 SD MET A 41 3.148 16.344 -5.348 1.00 0.00 S ATOM 564 CE MET A 41 2.325 17.916 -5.593 1.00 0.00 C ATOM 0 H MET A 41 6.141 13.210 -5.147 1.00 0.00 H new ATOM 0 HA MET A 41 6.061 15.040 -7.467 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.466 15.276 -4.612 1.00 0.00 H new ATOM 0 HB3 MET A 41 6.670 16.451 -5.105 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.018 17.741 -5.883 1.00 0.00 H new ATOM 0 HG3 MET A 41 4.729 16.550 -7.135 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.227 18.429 -4.636 1.00 0.00 H new ATOM 0 HE2 MET A 41 2.911 18.531 -6.276 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.335 17.746 -6.016 1.00 0.00 H new ATOM 574 N LYS A 42 8.523 15.002 -7.695 1.00 0.00 N ATOM 575 CA LYS A 42 9.968 15.105 -7.857 1.00 0.00 C ATOM 576 C LYS A 42 10.354 16.453 -8.457 1.00 0.00 C ATOM 577 O LYS A 42 9.920 16.801 -9.556 1.00 0.00 O ATOM 578 CB LYS A 42 10.485 13.972 -8.746 1.00 0.00 C ATOM 579 CG LYS A 42 9.993 12.597 -8.327 1.00 0.00 C ATOM 580 CD LYS A 42 11.148 11.678 -7.967 1.00 0.00 C ATOM 581 CE LYS A 42 12.041 11.408 -9.168 1.00 0.00 C ATOM 582 NZ LYS A 42 11.346 10.595 -10.205 1.00 0.00 N ATOM 0 H LYS A 42 8.000 15.007 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 42 10.425 15.022 -6.871 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.179 14.160 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.575 13.979 -8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.324 12.694 -7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.413 12.154 -9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.737 12.128 -7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.758 10.735 -7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.361 12.355 -9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.941 10.887 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.029 10.304 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.930 9.750 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.593 11.162 -10.644 1.00 0.00 H new ATOM 596 N LEU A 43 11.171 17.207 -7.731 1.00 0.00 N ATOM 597 CA LEU A 43 11.617 18.517 -8.194 1.00 0.00 C ATOM 598 C LEU A 43 13.117 18.690 -7.977 1.00 0.00 C ATOM 599 O LEU A 43 13.678 18.167 -7.014 1.00 0.00 O ATOM 600 CB LEU A 43 10.854 19.624 -7.464 1.00 0.00 C ATOM 601 CG LEU A 43 9.520 20.041 -8.085 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.512 18.905 -7.996 1.00 0.00 C ATOM 603 CD2 LEU A 43 8.980 21.289 -7.401 1.00 0.00 C ATOM 0 H LEU A 43 11.538 16.934 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 43 11.413 18.586 -9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.669 19.297 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.496 20.503 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 43 9.687 20.271 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.569 19.220 -8.443 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.895 18.036 -8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.349 18.644 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.030 21.571 -7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.829 21.086 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.694 22.105 -7.516 1.00 0.00 H new ATOM 615 N GLN A 44 13.758 19.429 -8.876 1.00 0.00 N ATOM 616 CA GLN A 44 15.193 19.672 -8.781 1.00 0.00 C ATOM 617 C GLN A 44 15.475 21.114 -8.372 1.00 0.00 C ATOM 618 O GLN A 44 14.632 21.994 -8.544 1.00 0.00 O ATOM 619 CB GLN A 44 15.873 19.366 -10.117 1.00 0.00 C ATOM 620 CG GLN A 44 16.708 18.096 -10.098 1.00 0.00 C ATOM 621 CD GLN A 44 18.128 18.325 -10.575 1.00 0.00 C ATOM 622 OE1 GLN A 44 18.382 19.190 -11.414 1.00 0.00 O ATOM 623 NE2 GLN A 44 19.064 17.548 -10.042 1.00 0.00 N ATOM 0 H GLN A 44 13.307 19.870 -9.678 1.00 0.00 H new ATOM 0 HA GLN A 44 15.598 19.011 -8.015 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.111 19.278 -10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 44 16.511 20.206 -10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 44 16.729 17.695 -9.085 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.234 17.344 -10.729 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.809 16.844 -9.350 1.00 0.00 H new ATOM 0 HE22 GLN A 44 20.038 17.656 -10.325 1.00 0.00 H new ATOM 632 N ILE A 45 16.666 21.347 -7.830 1.00 0.00 N ATOM 633 CA ILE A 45 17.058 22.683 -7.398 1.00 0.00 C ATOM 634 C ILE A 45 18.564 22.884 -7.534 1.00 0.00 C ATOM 635 O ILE A 45 19.322 21.922 -7.656 1.00 0.00 O ATOM 636 CB ILE A 45 16.647 22.945 -5.937 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.422 22.024 -4.992 1.00 0.00 C ATOM 638 CG2 ILE A 45 15.148 22.747 -5.765 1.00 0.00 C ATOM 639 CD1 ILE A 45 18.342 22.765 -4.047 1.00 0.00 C ATOM 0 H ILE A 45 17.375 20.629 -7.680 1.00 0.00 H new ATOM 0 HA ILE A 45 16.539 23.390 -8.045 1.00 0.00 H new ATOM 0 HB ILE A 45 16.889 23.978 -5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.714 21.435 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 45 18.010 21.322 -5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.873 22.936 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.613 23.440 -6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.883 21.723 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 45 18.859 22.050 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 45 19.074 23.332 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 45 17.757 23.447 -3.430 1.00 0.00 H new ATOM 651 N LYS A 46 18.991 24.142 -7.510 1.00 0.00 N ATOM 652 CA LYS A 46 20.407 24.472 -7.627 1.00 0.00 C ATOM 653 C LYS A 46 20.780 25.612 -6.686 1.00 0.00 C ATOM 654 O LYS A 46 20.304 26.737 -6.838 1.00 0.00 O ATOM 655 CB LYS A 46 20.744 24.856 -9.070 1.00 0.00 C ATOM 656 CG LYS A 46 21.930 24.097 -9.640 1.00 0.00 C ATOM 657 CD LYS A 46 23.183 24.957 -9.665 1.00 0.00 C ATOM 658 CE LYS A 46 23.631 25.328 -8.260 1.00 0.00 C ATOM 659 NZ LYS A 46 25.025 25.852 -8.243 1.00 0.00 N ATOM 0 H LYS A 46 18.377 24.950 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 46 20.984 23.591 -7.347 1.00 0.00 H new ATOM 0 HB2 LYS A 46 19.872 24.676 -9.698 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.952 25.925 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.113 23.204 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.697 23.762 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.984 24.421 -10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.992 25.864 -10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.956 26.079 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.564 24.452 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.347 25.950 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.650 25.192 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.052 26.781 -8.710 1.00 0.00 H new ATOM 673 N VAL A 47 21.635 25.315 -5.713 1.00 0.00 N ATOM 674 CA VAL A 47 22.074 26.317 -4.748 1.00 0.00 C ATOM 675 C VAL A 47 23.545 26.663 -4.947 1.00 0.00 C ATOM 676 O VAL A 47 24.346 25.814 -5.336 1.00 0.00 O ATOM 677 CB VAL A 47 21.862 25.833 -3.301 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.119 26.964 -2.317 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.459 25.272 -3.127 1.00 0.00 C ATOM 0 H VAL A 47 22.038 24.389 -5.572 1.00 0.00 H new ATOM 0 HA VAL A 47 21.468 27.207 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 47 22.575 25.035 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 47 21.964 26.604 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.145 27.315 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.432 27.785 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.327 24.935 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 47 19.727 26.047 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.317 24.431 -3.806 1.00 0.00 H new ATOM 689 N ASN A 48 23.894 27.916 -4.675 1.00 0.00 N ATOM 690 CA ASN A 48 25.270 28.376 -4.824 1.00 0.00 C ATOM 691 C ASN A 48 25.976 28.427 -3.472 1.00 0.00 C ATOM 692 O ASN A 48 25.439 27.971 -2.462 1.00 0.00 O ATOM 693 CB ASN A 48 25.301 29.758 -5.480 1.00 0.00 C ATOM 694 CG ASN A 48 25.171 30.881 -4.469 1.00 0.00 C ATOM 695 OD1 ASN A 48 26.134 31.597 -4.193 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.977 31.039 -3.910 1.00 0.00 N ATOM 0 H ASN A 48 23.243 28.631 -4.350 1.00 0.00 H new ATOM 0 HA ASN A 48 25.796 27.667 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 48 26.234 29.875 -6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.491 29.831 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 48 23.830 31.777 -3.222 1.00 0.00 H new ATOM 0 HD22 ASN A 48 23.207 30.422 -4.169 1.00 0.00 H new ATOM 703 N ASP A 49 27.182 28.984 -3.461 1.00 0.00 N ATOM 704 CA ASP A 49 27.961 29.097 -2.233 1.00 0.00 C ATOM 705 C ASP A 49 27.200 29.893 -1.178 1.00 0.00 C ATOM 706 O ASP A 49 27.060 29.453 -0.037 1.00 0.00 O ATOM 707 CB ASP A 49 29.308 29.762 -2.518 1.00 0.00 C ATOM 708 CG ASP A 49 30.309 28.802 -3.131 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.563 27.742 -2.523 1.00 0.00 O ATOM 710 OD2 ASP A 49 30.840 29.112 -4.218 1.00 0.00 O ATOM 0 H ASP A 49 27.642 29.364 -4.288 1.00 0.00 H new ATOM 0 HA ASP A 49 28.135 28.092 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.158 30.606 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.715 30.164 -1.590 1.00 0.00 H new ATOM 715 N GLU A 50 26.711 31.066 -1.567 1.00 0.00 N ATOM 716 CA GLU A 50 25.966 31.924 -0.653 1.00 0.00 C ATOM 717 C GLU A 50 24.851 31.144 0.038 1.00 0.00 C ATOM 718 O GLU A 50 24.663 31.250 1.249 1.00 0.00 O ATOM 719 CB GLU A 50 25.378 33.119 -1.405 1.00 0.00 C ATOM 720 CG GLU A 50 26.116 34.422 -1.151 1.00 0.00 C ATOM 721 CD GLU A 50 27.623 34.250 -1.157 1.00 0.00 C ATOM 722 OE1 GLU A 50 28.202 34.145 -2.259 1.00 0.00 O ATOM 723 OE2 GLU A 50 28.222 34.220 -0.062 1.00 0.00 O ATOM 0 H GLU A 50 26.817 31.444 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 50 26.657 32.288 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.391 32.907 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 50 24.334 33.241 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.834 35.149 -1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.804 34.830 -0.190 1.00 0.00 H new ATOM 730 N GLY A 51 24.113 30.360 -0.743 1.00 0.00 N ATOM 731 CA GLY A 51 23.026 29.575 -0.190 1.00 0.00 C ATOM 732 C GLY A 51 21.671 30.014 -0.709 1.00 0.00 C ATOM 733 O GLY A 51 20.666 29.911 -0.005 1.00 0.00 O ATOM 0 H GLY A 51 24.249 30.255 -1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.181 28.524 -0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.039 29.657 0.897 1.00 0.00 H new ATOM 737 N ILE A 52 21.643 30.506 -1.943 1.00 0.00 N ATOM 738 CA ILE A 52 20.402 30.962 -2.555 1.00 0.00 C ATOM 739 C ILE A 52 20.076 30.154 -3.807 1.00 0.00 C ATOM 740 O ILE A 52 20.969 29.788 -4.571 1.00 0.00 O ATOM 741 CB ILE A 52 20.473 32.456 -2.927 1.00 0.00 C ATOM 742 CG1 ILE A 52 20.705 33.304 -1.675 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.199 32.886 -3.637 1.00 0.00 C ATOM 744 CD1 ILE A 52 19.605 33.174 -0.644 1.00 0.00 C ATOM 0 H ILE A 52 22.466 30.599 -2.538 1.00 0.00 H new ATOM 0 HA ILE A 52 19.614 30.816 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 52 21.312 32.608 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 52 21.653 33.015 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.797 34.350 -1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.264 33.943 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.074 32.299 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.344 32.724 -2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 52 19.836 33.803 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 52 18.658 33.491 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 52 19.528 32.135 -0.324 1.00 0.00 H new ATOM 756 N ILE A 53 18.792 29.881 -4.010 1.00 0.00 N ATOM 757 CA ILE A 53 18.348 29.119 -5.170 1.00 0.00 C ATOM 758 C ILE A 53 18.484 29.937 -6.450 1.00 0.00 C ATOM 759 O ILE A 53 17.867 30.992 -6.592 1.00 0.00 O ATOM 760 CB ILE A 53 16.884 28.664 -5.019 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.734 27.758 -3.795 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.420 27.945 -6.277 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.474 26.444 -3.921 1.00 0.00 C ATOM 0 H ILE A 53 18.041 30.176 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 53 18.989 28.239 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 53 16.258 29.544 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.098 28.287 -2.914 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.676 27.555 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.384 27.630 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.496 28.619 -7.130 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.047 27.070 -6.449 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.323 25.853 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.094 25.894 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.538 26.637 -4.055 1.00 0.00 H new ATOM 775 N GLU A 54 19.294 29.441 -7.380 1.00 0.00 N ATOM 776 CA GLU A 54 19.510 30.126 -8.649 1.00 0.00 C ATOM 777 C GLU A 54 18.846 29.369 -9.795 1.00 0.00 C ATOM 778 O GLU A 54 18.522 29.950 -10.831 1.00 0.00 O ATOM 779 CB GLU A 54 21.008 30.279 -8.923 1.00 0.00 C ATOM 780 CG GLU A 54 21.326 30.683 -10.353 1.00 0.00 C ATOM 781 CD GLU A 54 21.607 29.491 -11.247 1.00 0.00 C ATOM 782 OE1 GLU A 54 22.238 28.526 -10.768 1.00 0.00 O ATOM 783 OE2 GLU A 54 21.196 29.523 -12.426 1.00 0.00 O ATOM 0 H GLU A 54 19.811 28.568 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 54 19.058 31.116 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.419 31.026 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.508 29.336 -8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.489 31.249 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.191 31.346 -10.355 1.00 0.00 H new ATOM 790 N ASP A 55 18.648 28.070 -9.602 1.00 0.00 N ATOM 791 CA ASP A 55 18.023 27.232 -10.619 1.00 0.00 C ATOM 792 C ASP A 55 17.026 26.265 -9.988 1.00 0.00 C ATOM 793 O ASP A 55 17.237 25.777 -8.878 1.00 0.00 O ATOM 794 CB ASP A 55 19.087 26.454 -11.394 1.00 0.00 C ATOM 795 CG ASP A 55 19.118 26.824 -12.864 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.046 27.146 -13.418 1.00 0.00 O ATOM 797 OD2 ASP A 55 20.215 26.790 -13.462 1.00 0.00 O ATOM 0 H ASP A 55 18.911 27.574 -8.750 1.00 0.00 H new ATOM 0 HA ASP A 55 17.485 27.881 -11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.066 26.645 -10.953 1.00 0.00 H new ATOM 0 HB3 ASP A 55 18.896 25.385 -11.295 1.00 0.00 H new ATOM 802 N ALA A 56 15.940 25.992 -10.704 1.00 0.00 N ATOM 803 CA ALA A 56 14.911 25.083 -10.215 1.00 0.00 C ATOM 804 C ALA A 56 14.334 24.245 -11.351 1.00 0.00 C ATOM 805 O ALA A 56 13.794 24.782 -12.318 1.00 0.00 O ATOM 806 CB ALA A 56 13.806 25.862 -9.517 1.00 0.00 C ATOM 0 H ALA A 56 15.750 26.388 -11.625 1.00 0.00 H new ATOM 0 HA ALA A 56 15.372 24.405 -9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.045 25.170 -9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.225 26.411 -8.674 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.356 26.564 -10.219 1.00 0.00 H new ATOM 812 N ARG A 57 14.451 22.927 -11.226 1.00 0.00 N ATOM 813 CA ARG A 57 13.942 22.016 -12.244 1.00 0.00 C ATOM 814 C ARG A 57 12.804 21.164 -11.691 1.00 0.00 C ATOM 815 O ARG A 57 12.484 21.231 -10.503 1.00 0.00 O ATOM 816 CB ARG A 57 15.065 21.113 -12.758 1.00 0.00 C ATOM 817 CG ARG A 57 15.630 21.548 -14.100 1.00 0.00 C ATOM 818 CD ARG A 57 14.570 21.509 -15.190 1.00 0.00 C ATOM 819 NE ARG A 57 14.019 22.833 -15.465 1.00 0.00 N ATOM 820 CZ ARG A 57 12.894 23.035 -16.142 1.00 0.00 C ATOM 821 NH1 ARG A 57 12.204 22.004 -16.610 1.00 0.00 N ATOM 822 NH2 ARG A 57 12.457 24.270 -16.352 1.00 0.00 N ATOM 0 H ARG A 57 14.893 22.467 -10.431 1.00 0.00 H new ATOM 0 HA ARG A 57 13.558 22.613 -13.071 1.00 0.00 H new ATOM 0 HB2 ARG A 57 15.870 21.094 -12.023 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.689 20.094 -12.845 1.00 0.00 H new ATOM 0 HG2 ARG A 57 16.031 22.558 -14.017 1.00 0.00 H new ATOM 0 HG3 ARG A 57 16.460 20.897 -14.375 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.003 21.100 -16.103 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.766 20.837 -14.890 1.00 0.00 H new ATOM 0 HE ARG A 57 14.526 23.647 -15.118 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.537 21.053 -16.450 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.341 22.162 -17.129 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.985 25.066 -15.994 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.593 24.424 -16.872 1.00 0.00 H new ATOM 836 N PHE A 58 12.194 20.363 -12.559 1.00 0.00 N ATOM 837 CA PHE A 58 11.090 19.499 -12.158 1.00 0.00 C ATOM 838 C PHE A 58 10.881 18.378 -13.172 1.00 0.00 C ATOM 839 O PHE A 58 10.997 18.588 -14.379 1.00 0.00 O ATOM 840 CB PHE A 58 9.804 20.315 -12.010 1.00 0.00 C ATOM 841 CG PHE A 58 9.403 21.035 -13.266 1.00 0.00 C ATOM 842 CD1 PHE A 58 8.607 20.411 -14.213 1.00 0.00 C ATOM 843 CD2 PHE A 58 9.822 22.335 -13.499 1.00 0.00 C ATOM 844 CE1 PHE A 58 8.237 21.071 -15.370 1.00 0.00 C ATOM 845 CE2 PHE A 58 9.454 23.000 -14.654 1.00 0.00 C ATOM 846 CZ PHE A 58 8.660 22.367 -15.590 1.00 0.00 C ATOM 0 H PHE A 58 12.446 20.295 -13.545 1.00 0.00 H new ATOM 0 HA PHE A 58 11.341 19.052 -11.196 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.995 19.651 -11.707 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.935 21.043 -11.209 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.272 19.398 -14.045 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.443 22.834 -12.770 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.617 20.573 -16.101 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.787 24.013 -14.824 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.370 22.885 -16.493 1.00 0.00 H new ATOM 856 N LYS A 59 10.572 17.187 -12.671 1.00 0.00 N ATOM 857 CA LYS A 59 10.346 16.031 -13.531 1.00 0.00 C ATOM 858 C LYS A 59 8.933 15.485 -13.347 1.00 0.00 C ATOM 859 O LYS A 59 8.362 15.565 -12.259 1.00 0.00 O ATOM 860 CB LYS A 59 11.371 14.936 -13.228 1.00 0.00 C ATOM 861 CG LYS A 59 12.522 14.889 -14.218 1.00 0.00 C ATOM 862 CD LYS A 59 12.273 13.868 -15.315 1.00 0.00 C ATOM 863 CE LYS A 59 13.573 13.418 -15.963 1.00 0.00 C ATOM 864 NZ LYS A 59 13.345 12.821 -17.308 1.00 0.00 N ATOM 0 H LYS A 59 10.472 16.997 -11.674 1.00 0.00 H new ATOM 0 HA LYS A 59 10.461 16.351 -14.567 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.771 15.092 -12.226 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.867 13.970 -13.224 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.662 15.875 -14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.445 14.642 -13.693 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.755 13.004 -14.899 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.618 14.298 -16.072 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.247 14.269 -16.053 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.065 12.688 -15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.255 12.527 -17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.722 11.993 -17.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.898 13.525 -17.929 1.00 0.00 H new ATOM 978 N ALA A 68 -0.151 21.761 -11.319 1.00 0.00 N ATOM 979 CA ALA A 68 0.274 23.147 -11.171 1.00 0.00 C ATOM 980 C ALA A 68 0.975 23.366 -9.834 1.00 0.00 C ATOM 981 O ALA A 68 1.826 24.246 -9.706 1.00 0.00 O ATOM 982 CB ALA A 68 -0.919 24.082 -11.302 1.00 0.00 C ATOM 0 HA ALA A 68 0.985 23.370 -11.966 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.587 25.114 -11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.376 23.953 -12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.650 23.850 -10.528 1.00 0.00 H new ATOM 988 N SER A 69 0.612 22.560 -8.841 1.00 0.00 N ATOM 989 CA SER A 69 1.203 22.669 -7.513 1.00 0.00 C ATOM 990 C SER A 69 2.723 22.548 -7.583 1.00 0.00 C ATOM 991 O SER A 69 3.439 23.098 -6.747 1.00 0.00 O ATOM 992 CB SER A 69 0.636 21.590 -6.589 1.00 0.00 C ATOM 993 OG SER A 69 1.233 20.331 -6.849 1.00 0.00 O ATOM 0 H SER A 69 -0.089 21.824 -8.932 1.00 0.00 H new ATOM 0 HA SER A 69 0.952 23.650 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.808 21.870 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.443 21.520 -6.726 1.00 0.00 H new ATOM 0 HG SER A 69 0.551 19.629 -6.798 1.00 0.00 H new ATOM 999 N SER A 70 3.206 21.825 -8.588 1.00 0.00 N ATOM 1000 CA SER A 70 4.640 21.627 -8.766 1.00 0.00 C ATOM 1001 C SER A 70 5.255 22.785 -9.546 1.00 0.00 C ATOM 1002 O SER A 70 6.300 23.316 -9.170 1.00 0.00 O ATOM 1003 CB SER A 70 4.908 20.308 -9.494 1.00 0.00 C ATOM 1004 OG SER A 70 4.791 19.206 -8.611 1.00 0.00 O ATOM 0 H SER A 70 2.626 21.367 -9.291 1.00 0.00 H new ATOM 0 HA SER A 70 5.102 21.590 -7.779 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.204 20.194 -10.318 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.907 20.325 -9.929 1.00 0.00 H new ATOM 0 HG SER A 70 4.965 18.375 -9.100 1.00 0.00 H new ATOM 1010 N SER A 71 4.598 23.173 -10.635 1.00 0.00 N ATOM 1011 CA SER A 71 5.081 24.265 -11.471 1.00 0.00 C ATOM 1012 C SER A 71 5.055 25.586 -10.707 1.00 0.00 C ATOM 1013 O SER A 71 5.776 26.526 -11.045 1.00 0.00 O ATOM 1014 CB SER A 71 4.231 24.379 -12.738 1.00 0.00 C ATOM 1015 OG SER A 71 4.777 23.602 -13.790 1.00 0.00 O ATOM 0 H SER A 71 3.730 22.747 -10.958 1.00 0.00 H new ATOM 0 HA SER A 71 6.112 24.047 -11.751 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.214 24.049 -12.528 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.170 25.423 -13.046 1.00 0.00 H new ATOM 0 HG SER A 71 4.215 23.690 -14.588 1.00 0.00 H new ATOM 1021 N LEU A 72 4.220 25.650 -9.677 1.00 0.00 N ATOM 1022 CA LEU A 72 4.098 26.855 -8.864 1.00 0.00 C ATOM 1023 C LEU A 72 5.216 26.928 -7.828 1.00 0.00 C ATOM 1024 O LEU A 72 5.881 27.954 -7.689 1.00 0.00 O ATOM 1025 CB LEU A 72 2.738 26.888 -8.165 1.00 0.00 C ATOM 1026 CG LEU A 72 2.548 27.984 -7.116 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.339 29.333 -7.786 1.00 0.00 C ATOM 1028 CD2 LEU A 72 1.377 27.653 -6.204 1.00 0.00 C ATOM 0 H LEU A 72 3.617 24.881 -9.384 1.00 0.00 H new ATOM 0 HA LEU A 72 4.181 27.718 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.964 27.002 -8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.575 25.923 -7.686 1.00 0.00 H new ATOM 0 HG LEU A 72 3.451 28.039 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.206 30.101 -7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.209 29.575 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.452 29.292 -8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.257 28.444 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.466 27.570 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.567 26.707 -5.696 1.00 0.00 H new ATOM 1040 N VAL A 73 5.419 25.831 -7.106 1.00 0.00 N ATOM 1041 CA VAL A 73 6.459 25.769 -6.086 1.00 0.00 C ATOM 1042 C VAL A 73 7.845 25.919 -6.703 1.00 0.00 C ATOM 1043 O VAL A 73 8.786 26.363 -6.045 1.00 0.00 O ATOM 1044 CB VAL A 73 6.399 24.444 -5.302 1.00 0.00 C ATOM 1045 CG1 VAL A 73 5.112 24.359 -4.495 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.523 23.260 -6.249 1.00 0.00 C ATOM 0 H VAL A 73 4.877 24.973 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 73 6.278 26.597 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 73 7.238 24.414 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.087 23.417 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.069 25.189 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.256 24.410 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.479 22.332 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.705 23.283 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.474 23.316 -6.778 1.00 0.00 H new ATOM 1056 N THR A 74 7.964 25.544 -7.974 1.00 0.00 N ATOM 1057 CA THR A 74 9.235 25.636 -8.681 1.00 0.00 C ATOM 1058 C THR A 74 9.582 27.085 -9.002 1.00 0.00 C ATOM 1059 O THR A 74 10.690 27.544 -8.724 1.00 0.00 O ATOM 1060 CB THR A 74 9.209 24.824 -9.990 1.00 0.00 C ATOM 1061 OG1 THR A 74 7.892 24.842 -10.551 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.642 23.387 -9.744 1.00 0.00 C ATOM 0 H THR A 74 7.196 25.174 -8.534 1.00 0.00 H new ATOM 0 HA THR A 74 9.996 25.221 -8.020 1.00 0.00 H new ATOM 0 HB THR A 74 9.908 25.282 -10.690 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.351 24.137 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.616 22.833 -10.683 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.656 23.376 -9.344 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.965 22.920 -9.028 1.00 0.00 H new ATOM 1070 N GLU A 75 8.628 27.801 -9.589 1.00 0.00 N ATOM 1071 CA GLU A 75 8.835 29.200 -9.948 1.00 0.00 C ATOM 1072 C GLU A 75 9.024 30.059 -8.701 1.00 0.00 C ATOM 1073 O GLU A 75 9.572 31.159 -8.770 1.00 0.00 O ATOM 1074 CB GLU A 75 7.651 29.720 -10.765 1.00 0.00 C ATOM 1075 CG GLU A 75 6.308 29.531 -10.079 1.00 0.00 C ATOM 1076 CD GLU A 75 5.152 30.062 -10.904 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.790 29.411 -11.906 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.609 31.128 -10.547 1.00 0.00 O ATOM 0 H GLU A 75 7.705 27.436 -9.826 1.00 0.00 H new ATOM 0 HA GLU A 75 9.740 29.264 -10.552 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.799 30.780 -10.969 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.633 29.209 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.151 28.471 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.323 30.037 -9.114 1.00 0.00 H new ATOM 1085 N TRP A 76 8.566 29.549 -7.564 1.00 0.00 N ATOM 1086 CA TRP A 76 8.683 30.270 -6.301 1.00 0.00 C ATOM 1087 C TRP A 76 10.078 30.104 -5.708 1.00 0.00 C ATOM 1088 O TRP A 76 10.692 31.073 -5.261 1.00 0.00 O ATOM 1089 CB TRP A 76 7.631 29.775 -5.308 1.00 0.00 C ATOM 1090 CG TRP A 76 6.504 30.742 -5.105 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.168 30.459 -5.117 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.615 32.149 -4.862 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.442 31.604 -4.896 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.307 32.655 -4.736 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.693 33.029 -4.736 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.050 34.001 -4.492 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.436 34.366 -4.494 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.124 34.841 -4.373 1.00 0.00 C ATOM 0 H TRP A 76 8.110 28.639 -7.490 1.00 0.00 H new ATOM 0 HA TRP A 76 8.516 31.329 -6.498 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.227 28.826 -5.661 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.110 29.580 -4.349 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.744 29.479 -5.277 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.424 31.663 -4.857 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.708 32.672 -4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.039 34.369 -4.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.261 35.056 -4.397 1.00 0.00 H new ATOM 0 HH2 TRP A 76 5.956 35.891 -4.182 1.00 0.00 H new ATOM 1109 N VAL A 77 10.573 28.870 -5.706 1.00 0.00 N ATOM 1110 CA VAL A 77 11.896 28.579 -5.168 1.00 0.00 C ATOM 1111 C VAL A 77 12.989 29.195 -6.034 1.00 0.00 C ATOM 1112 O VAL A 77 14.081 29.498 -5.553 1.00 0.00 O ATOM 1113 CB VAL A 77 12.136 27.061 -5.061 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.167 26.436 -4.070 1.00 0.00 C ATOM 1115 CG2 VAL A 77 12.012 26.404 -6.428 1.00 0.00 C ATOM 0 H VAL A 77 10.078 28.056 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 77 11.936 29.018 -4.171 1.00 0.00 H new ATOM 0 HB VAL A 77 13.149 26.896 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.352 25.364 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.310 26.886 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.144 26.609 -4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.185 25.332 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.012 26.577 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.751 26.832 -7.106 1.00 0.00 H new ATOM 1125 N LYS A 78 12.689 29.379 -7.315 1.00 0.00 N ATOM 1126 CA LYS A 78 13.644 29.962 -8.250 1.00 0.00 C ATOM 1127 C LYS A 78 14.016 31.381 -7.834 1.00 0.00 C ATOM 1128 O LYS A 78 13.320 32.339 -8.168 1.00 0.00 O ATOM 1129 CB LYS A 78 13.064 29.969 -9.666 1.00 0.00 C ATOM 1130 CG LYS A 78 13.629 28.879 -10.560 1.00 0.00 C ATOM 1131 CD LYS A 78 14.013 29.423 -11.926 1.00 0.00 C ATOM 1132 CE LYS A 78 13.591 28.479 -13.041 1.00 0.00 C ATOM 1133 NZ LYS A 78 14.220 28.839 -14.342 1.00 0.00 N ATOM 0 H LYS A 78 11.791 29.132 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 78 14.546 29.351 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.982 29.854 -9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.257 30.939 -10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.504 28.434 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.892 28.085 -10.678 1.00 0.00 H new ATOM 0 HD2 LYS A 78 13.546 30.396 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.091 29.577 -11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.865 27.458 -12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.506 28.501 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.907 28.172 -15.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.938 29.804 -14.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.255 28.793 -14.252 1.00 0.00 H new ATOM 1147 N GLY A 79 15.119 31.509 -7.103 1.00 0.00 N ATOM 1148 CA GLY A 79 15.565 32.816 -6.655 1.00 0.00 C ATOM 1149 C GLY A 79 15.329 33.032 -5.173 1.00 0.00 C ATOM 1150 O GLY A 79 15.527 34.133 -4.659 1.00 0.00 O ATOM 0 H GLY A 79 15.712 30.731 -6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.628 32.928 -6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.042 33.588 -7.219 1.00 0.00 H new ATOM 1154 N LYS A 80 14.905 31.979 -4.483 1.00 0.00 N ATOM 1155 CA LYS A 80 14.641 32.057 -3.051 1.00 0.00 C ATOM 1156 C LYS A 80 15.725 31.334 -2.259 1.00 0.00 C ATOM 1157 O LYS A 80 16.404 30.450 -2.780 1.00 0.00 O ATOM 1158 CB LYS A 80 13.272 31.454 -2.730 1.00 0.00 C ATOM 1159 CG LYS A 80 12.336 32.415 -2.017 1.00 0.00 C ATOM 1160 CD LYS A 80 11.635 33.341 -2.996 1.00 0.00 C ATOM 1161 CE LYS A 80 10.349 33.902 -2.409 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.233 35.370 -2.629 1.00 0.00 N ATOM 0 H LYS A 80 14.737 31.060 -4.893 1.00 0.00 H new ATOM 0 HA LYS A 80 14.644 33.108 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.803 31.124 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.411 30.568 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.593 31.850 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.901 33.006 -1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.302 34.161 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.411 32.799 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.494 33.399 -2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.315 33.691 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.343 35.714 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.035 35.853 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.239 35.570 -3.650 1.00 0.00 H new ATOM 1176 N SER A 81 15.881 31.715 -0.995 1.00 0.00 N ATOM 1177 CA SER A 81 16.885 31.105 -0.131 1.00 0.00 C ATOM 1178 C SER A 81 16.423 29.733 0.354 1.00 0.00 C ATOM 1179 O SER A 81 15.331 29.277 0.012 1.00 0.00 O ATOM 1180 CB SER A 81 17.175 32.010 1.068 1.00 0.00 C ATOM 1181 OG SER A 81 18.292 31.540 1.803 1.00 0.00 O ATOM 0 H SER A 81 15.325 32.443 -0.547 1.00 0.00 H new ATOM 0 HA SER A 81 17.799 30.978 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.364 33.027 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 81 16.300 32.051 1.717 1.00 0.00 H new ATOM 0 HG SER A 81 18.458 32.136 2.563 1.00 0.00 H new ATOM 1187 N LEU A 82 17.261 29.081 1.151 1.00 0.00 N ATOM 1188 CA LEU A 82 16.941 27.762 1.684 1.00 0.00 C ATOM 1189 C LEU A 82 15.841 27.852 2.737 1.00 0.00 C ATOM 1190 O LEU A 82 14.899 27.059 2.735 1.00 0.00 O ATOM 1191 CB LEU A 82 18.189 27.117 2.288 1.00 0.00 C ATOM 1192 CG LEU A 82 19.461 27.194 1.443 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.687 26.908 2.295 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.383 26.223 0.274 1.00 0.00 C ATOM 0 H LEU A 82 18.168 29.444 1.443 1.00 0.00 H new ATOM 0 HA LEU A 82 16.582 27.143 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.387 27.588 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.971 26.067 2.486 1.00 0.00 H new ATOM 0 HG LEU A 82 19.549 28.205 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.582 26.967 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.752 27.642 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.608 25.909 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.296 26.291 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.270 25.207 0.652 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.527 26.475 -0.352 1.00 0.00 H new ATOM 1206 N ASP A 83 15.965 28.825 3.633 1.00 0.00 N ATOM 1207 CA ASP A 83 14.980 29.021 4.690 1.00 0.00 C ATOM 1208 C ASP A 83 13.657 29.517 4.114 1.00 0.00 C ATOM 1209 O ASP A 83 12.586 29.068 4.521 1.00 0.00 O ATOM 1210 CB ASP A 83 15.504 30.017 5.726 1.00 0.00 C ATOM 1211 CG ASP A 83 16.254 29.337 6.855 1.00 0.00 C ATOM 1212 OD1 ASP A 83 17.424 28.956 6.644 1.00 0.00 O ATOM 1213 OD2 ASP A 83 15.670 29.184 7.948 1.00 0.00 O ATOM 0 H ASP A 83 16.738 29.490 3.648 1.00 0.00 H new ATOM 0 HA ASP A 83 14.808 28.060 5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.163 30.734 5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.668 30.582 6.138 1.00 0.00 H new ATOM 1218 N GLU A 84 13.740 30.445 3.166 1.00 0.00 N ATOM 1219 CA GLU A 84 12.549 31.002 2.537 1.00 0.00 C ATOM 1220 C GLU A 84 11.676 29.896 1.950 1.00 0.00 C ATOM 1221 O GLU A 84 10.499 29.775 2.289 1.00 0.00 O ATOM 1222 CB GLU A 84 12.941 31.993 1.439 1.00 0.00 C ATOM 1223 CG GLU A 84 13.107 33.419 1.937 1.00 0.00 C ATOM 1224 CD GLU A 84 13.858 33.493 3.253 1.00 0.00 C ATOM 1225 OE1 GLU A 84 15.106 33.455 3.226 1.00 0.00 O ATOM 1226 OE2 GLU A 84 13.198 33.590 4.308 1.00 0.00 O ATOM 0 H GLU A 84 14.619 30.827 2.817 1.00 0.00 H new ATOM 0 HA GLU A 84 11.977 31.526 3.302 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.875 31.666 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.181 31.976 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.639 34.003 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.124 33.875 2.058 1.00 0.00 H new ATOM 1233 N ALA A 85 12.261 29.093 1.069 1.00 0.00 N ATOM 1234 CA ALA A 85 11.539 27.996 0.436 1.00 0.00 C ATOM 1235 C ALA A 85 11.014 27.012 1.477 1.00 0.00 C ATOM 1236 O ALA A 85 9.876 26.552 1.390 1.00 0.00 O ATOM 1237 CB ALA A 85 12.434 27.282 -0.565 1.00 0.00 C ATOM 0 H ALA A 85 13.234 29.181 0.777 1.00 0.00 H new ATOM 0 HA ALA A 85 10.684 28.415 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.881 26.465 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.755 27.986 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.308 26.882 -0.051 1.00 0.00 H new ATOM 1243 N GLN A 86 11.852 26.693 2.458 1.00 0.00 N ATOM 1244 CA GLN A 86 11.472 25.762 3.514 1.00 0.00 C ATOM 1245 C GLN A 86 10.418 26.377 4.429 1.00 0.00 C ATOM 1246 O GLN A 86 9.785 25.678 5.219 1.00 0.00 O ATOM 1247 CB GLN A 86 12.700 25.356 4.331 1.00 0.00 C ATOM 1248 CG GLN A 86 12.599 23.962 4.929 1.00 0.00 C ATOM 1249 CD GLN A 86 12.815 23.954 6.430 1.00 0.00 C ATOM 1250 OE1 GLN A 86 13.694 23.258 6.938 1.00 0.00 O ATOM 1251 NE2 GLN A 86 12.012 24.731 7.148 1.00 0.00 N ATOM 0 H GLN A 86 12.798 27.065 2.544 1.00 0.00 H new ATOM 0 HA GLN A 86 11.046 24.875 3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.583 25.406 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.846 26.077 5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.617 23.545 4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.337 23.314 4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.297 25.291 6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.111 24.767 8.163 1.00 0.00 H new ATOM 1260 N ALA A 87 10.236 27.688 4.316 1.00 0.00 N ATOM 1261 CA ALA A 87 9.258 28.397 5.132 1.00 0.00 C ATOM 1262 C ALA A 87 7.877 28.363 4.486 1.00 0.00 C ATOM 1263 O ALA A 87 6.862 28.539 5.160 1.00 0.00 O ATOM 1264 CB ALA A 87 9.702 29.834 5.359 1.00 0.00 C ATOM 0 H ALA A 87 10.753 28.281 3.667 1.00 0.00 H new ATOM 0 HA ALA A 87 9.192 27.893 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.962 30.351 5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.664 29.841 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.798 30.341 4.399 1.00 0.00 H new ATOM 1270 N ILE A 88 7.847 28.138 3.177 1.00 0.00 N ATOM 1271 CA ILE A 88 6.590 28.082 2.441 1.00 0.00 C ATOM 1272 C ILE A 88 5.606 27.126 3.106 1.00 0.00 C ATOM 1273 O ILE A 88 5.985 26.050 3.569 1.00 0.00 O ATOM 1274 CB ILE A 88 6.811 27.640 0.982 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.711 28.641 0.254 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.478 27.498 0.264 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.139 28.179 -1.121 1.00 0.00 C ATOM 0 H ILE A 88 8.678 27.992 2.604 1.00 0.00 H new ATOM 0 HA ILE A 88 6.175 29.090 2.448 1.00 0.00 H new ATOM 0 HB ILE A 88 7.306 26.669 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.184 29.591 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.599 28.826 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.651 27.185 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.868 26.751 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.958 28.456 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.774 28.937 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.694 27.245 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.258 28.021 -1.743 1.00 0.00 H new ATOM 1289 N LYS A 89 4.339 27.525 3.149 1.00 0.00 N ATOM 1290 CA LYS A 89 3.298 26.703 3.754 1.00 0.00 C ATOM 1291 C LYS A 89 2.303 26.224 2.703 1.00 0.00 C ATOM 1292 O LYS A 89 1.911 26.980 1.815 1.00 0.00 O ATOM 1293 CB LYS A 89 2.565 27.492 4.843 1.00 0.00 C ATOM 1294 CG LYS A 89 3.363 27.641 6.126 1.00 0.00 C ATOM 1295 CD LYS A 89 4.085 28.977 6.182 1.00 0.00 C ATOM 1296 CE LYS A 89 3.193 30.069 6.754 1.00 0.00 C ATOM 1297 NZ LYS A 89 2.997 29.913 8.222 1.00 0.00 N ATOM 0 H LYS A 89 4.009 28.413 2.772 1.00 0.00 H new ATOM 0 HA LYS A 89 3.774 25.831 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.320 28.483 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.621 26.995 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.696 27.551 6.983 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.089 26.831 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.982 28.881 6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.410 29.259 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.635 31.044 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.225 30.046 6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.607 30.793 8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.336 29.131 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.910 29.706 8.674 1.00 0.00 H new ATOM 1311 N ASN A 90 1.897 24.962 2.809 1.00 0.00 N ATOM 1312 CA ASN A 90 0.947 24.382 1.867 1.00 0.00 C ATOM 1313 C ASN A 90 -0.253 25.303 1.669 1.00 0.00 C ATOM 1314 O ASN A 90 -0.805 25.397 0.572 1.00 0.00 O ATOM 1315 CB ASN A 90 0.477 23.013 2.363 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.551 23.121 3.472 1.00 0.00 C ATOM 1317 OD1 ASN A 90 -0.206 23.137 4.654 1.00 0.00 O ATOM 1318 ND2 ASN A 90 -1.822 23.196 3.095 1.00 0.00 N ATOM 0 H ASN A 90 2.212 24.322 3.538 1.00 0.00 H new ATOM 0 HA ASN A 90 1.451 24.260 0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.051 22.454 1.530 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.336 22.445 2.721 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.559 23.270 3.797 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.062 23.179 2.104 1.00 0.00 H new ATOM 1325 N THR A 91 -0.653 25.984 2.739 1.00 0.00 N ATOM 1326 CA THR A 91 -1.788 26.897 2.684 1.00 0.00 C ATOM 1327 C THR A 91 -1.644 27.884 1.531 1.00 0.00 C ATOM 1328 O THR A 91 -2.625 28.232 0.874 1.00 0.00 O ATOM 1329 CB THR A 91 -1.941 27.682 4.000 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.063 28.568 3.914 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.682 28.479 4.305 1.00 0.00 C ATOM 0 H THR A 91 -0.207 25.920 3.654 1.00 0.00 H new ATOM 0 HA THR A 91 -2.678 26.287 2.528 1.00 0.00 H new ATOM 0 HB THR A 91 -2.103 26.967 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.155 29.062 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.814 29.025 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.165 27.799 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.493 29.185 3.496 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.416 28.329 1.290 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.143 29.275 0.214 1.00 0.00 C ATOM 1341 C ASP A 92 -0.299 28.608 -1.149 1.00 0.00 C ATOM 1342 O ASP A 92 -0.782 29.222 -2.100 1.00 0.00 O ATOM 1343 CB ASP A 92 1.267 29.850 0.356 1.00 0.00 C ATOM 1344 CG ASP A 92 1.270 31.228 0.988 1.00 0.00 C ATOM 1345 OD1 ASP A 92 0.666 31.386 2.070 1.00 0.00 O ATOM 1346 OD2 ASP A 92 1.875 32.148 0.400 1.00 0.00 O ATOM 0 H ASP A 92 0.406 28.050 1.825 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.867 30.087 0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.872 29.175 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.735 29.903 -0.627 1.00 0.00 H new ATOM 1351 N ILE A 93 0.115 27.348 -1.236 1.00 0.00 N ATOM 1352 CA ILE A 93 0.021 26.597 -2.482 1.00 0.00 C ATOM 1353 C ILE A 93 -1.408 26.131 -2.736 1.00 0.00 C ATOM 1354 O ILE A 93 -1.798 25.886 -3.877 1.00 0.00 O ATOM 1355 CB ILE A 93 0.955 25.373 -2.473 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.415 25.819 -2.370 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.739 24.533 -3.723 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.863 26.096 -0.952 1.00 0.00 C ATOM 0 H ILE A 93 0.519 26.826 -0.458 1.00 0.00 H new ATOM 0 HA ILE A 93 0.328 27.272 -3.281 1.00 0.00 H new ATOM 0 HB ILE A 93 0.719 24.761 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.053 25.047 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.555 26.719 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.406 23.671 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.295 24.190 -3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.951 25.135 -4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.908 26.407 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.249 26.889 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.756 25.192 -0.353 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.186 26.011 -1.665 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.573 25.577 -1.772 1.00 0.00 C ATOM 1372 C ALA A 94 -4.450 26.682 -2.351 1.00 0.00 C ATOM 1373 O ALA A 94 -5.229 26.449 -3.274 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.097 25.143 -0.411 1.00 0.00 C ATOM 0 H ALA A 94 -1.879 26.209 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.610 24.725 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.134 24.821 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.494 24.316 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.039 25.980 0.285 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.318 27.886 -1.801 1.00 0.00 N ATOM 1381 CA GLU A 95 -5.101 29.026 -2.263 1.00 0.00 C ATOM 1382 C GLU A 95 -4.514 29.604 -3.548 1.00 0.00 C ATOM 1383 O GLU A 95 -5.191 30.321 -4.283 1.00 0.00 O ATOM 1384 CB GLU A 95 -5.154 30.107 -1.182 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.703 29.614 0.146 1.00 0.00 C ATOM 1386 CD GLU A 95 -7.211 29.450 0.130 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.781 29.313 -0.973 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.819 29.458 1.220 1.00 0.00 O ATOM 0 H GLU A 95 -3.677 28.096 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.113 28.680 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.150 30.502 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.771 30.933 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.240 28.659 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.426 30.316 0.932 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.250 29.286 -3.810 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.572 29.774 -5.005 1.00 0.00 C ATOM 1397 C GLU A 96 -3.267 29.275 -6.268 1.00 0.00 C ATOM 1398 O GLU A 96 -3.527 30.045 -7.193 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.108 29.329 -5.005 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.133 30.442 -4.659 1.00 0.00 C ATOM 1401 CD GLU A 96 0.331 31.212 -5.880 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.235 30.989 -6.971 1.00 0.00 O ATOM 1403 OE2 GLU A 96 1.259 32.036 -5.746 1.00 0.00 O ATOM 0 H GLU A 96 -2.675 28.693 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.613 30.863 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -0.985 28.515 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.858 28.931 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.607 31.130 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.733 30.017 -4.152 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.566 27.981 -6.299 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.231 27.377 -7.448 1.00 0.00 C ATOM 1412 C LEU A 97 -5.630 26.894 -7.077 1.00 0.00 C ATOM 1413 O LEU A 97 -6.355 26.361 -7.915 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.402 26.209 -7.987 1.00 0.00 C ATOM 1415 CG LEU A 97 -1.937 26.515 -8.299 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.051 25.345 -7.898 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -1.762 26.836 -9.776 1.00 0.00 C ATOM 0 H LEU A 97 -3.358 27.330 -5.542 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.323 28.137 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.436 25.399 -7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.877 25.841 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.637 27.388 -7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.012 25.580 -8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.154 25.160 -6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.352 24.455 -8.450 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.713 27.051 -9.980 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.080 25.982 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.367 27.705 -10.034 1.00 0.00 H new ATOM 1429 N GLU A 98 -6.000 27.086 -5.814 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.313 26.671 -5.333 1.00 0.00 C ATOM 1431 C GLU A 98 -7.583 25.210 -5.682 1.00 0.00 C ATOM 1432 O GLU A 98 -8.507 24.901 -6.435 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.405 27.560 -5.931 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.219 29.038 -5.632 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.320 29.896 -6.223 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.440 29.376 -6.411 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -9.063 31.087 -6.497 1.00 0.00 O ATOM 0 H GLU A 98 -5.410 27.525 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.324 26.776 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.427 27.417 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.373 27.239 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.189 29.185 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.257 29.366 -6.026 1.00 0.00 H new ATOM 1444 N LEU A 99 -6.771 24.317 -5.129 1.00 0.00 N ATOM 1445 CA LEU A 99 -6.921 22.887 -5.380 1.00 0.00 C ATOM 1446 C LEU A 99 -8.318 22.411 -4.999 1.00 0.00 C ATOM 1447 O LEU A 99 -8.989 22.995 -4.147 1.00 0.00 O ATOM 1448 CB LEU A 99 -5.869 22.099 -4.598 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.726 21.503 -5.421 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -3.827 22.605 -5.961 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -3.923 20.518 -4.585 1.00 0.00 C ATOM 0 H LEU A 99 -6.002 24.557 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.777 22.713 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.441 22.756 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.370 21.288 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.155 20.965 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.019 22.163 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.410 23.272 -6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.407 23.171 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.114 20.104 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.505 21.032 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.574 19.711 -4.248 1.00 0.00 H new ATOM 1463 N PRO A 100 -8.769 21.323 -5.641 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.090 20.742 -5.384 1.00 0.00 C ATOM 1465 C PRO A 100 -10.177 20.087 -4.010 1.00 0.00 C ATOM 1466 O PRO A 100 -9.176 19.658 -3.435 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.236 19.691 -6.487 1.00 0.00 C ATOM 1468 CG PRO A 100 -8.839 19.326 -6.851 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.023 20.576 -6.668 1.00 0.00 C ATOM 0 HA PRO A 100 -10.876 21.497 -5.389 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.793 18.823 -6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.777 20.090 -7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.468 18.521 -6.216 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.784 18.971 -7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.008 20.349 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.941 21.142 -7.596 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.402 20.006 -3.468 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.649 19.403 -2.155 1.00 0.00 C ATOM 1479 C PRO A 101 -11.445 17.892 -2.164 1.00 0.00 C ATOM 1480 O PRO A 101 -11.468 17.246 -1.116 1.00 0.00 O ATOM 1481 CB PRO A 101 -13.115 19.744 -1.879 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.723 19.922 -3.227 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.640 20.496 -4.097 1.00 0.00 C ATOM 0 HA PRO A 101 -10.960 19.778 -1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.609 18.947 -1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.205 20.651 -1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.079 18.971 -3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.583 20.590 -3.182 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.729 20.154 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.676 21.585 -4.118 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.247 17.332 -3.353 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.038 15.897 -3.498 1.00 0.00 C ATOM 1493 C VAL A 102 -9.892 15.416 -2.614 1.00 0.00 C ATOM 1494 O VAL A 102 -10.088 14.600 -1.714 1.00 0.00 O ATOM 1495 CB VAL A 102 -10.737 15.518 -4.960 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -10.264 14.075 -5.052 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -11.963 15.742 -5.832 1.00 0.00 C ATOM 0 H VAL A 102 -11.227 17.851 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.962 15.410 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.937 16.161 -5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.056 13.826 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.356 13.951 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.040 13.413 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -11.732 15.469 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -12.785 15.125 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.252 16.792 -5.791 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.695 15.929 -2.876 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.516 15.555 -2.104 1.00 0.00 C ATOM 1509 C LYS A 103 -6.616 16.763 -1.865 1.00 0.00 C ATOM 1510 O LYS A 103 -5.550 16.884 -2.469 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.733 14.458 -2.829 1.00 0.00 C ATOM 1512 CG LYS A 103 -5.721 13.748 -1.946 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.161 12.331 -1.621 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.021 12.030 -0.137 1.00 0.00 C ATOM 1515 NZ LYS A 103 -5.923 10.568 0.126 1.00 0.00 N ATOM 0 H LYS A 103 -8.516 16.606 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.850 15.177 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.435 13.724 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.214 14.896 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.753 13.723 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.587 14.309 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.199 12.192 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.563 11.623 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.134 12.529 0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.878 12.439 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.829 10.405 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.781 10.094 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.091 10.182 -0.364 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.051 17.653 -0.980 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.283 18.850 -0.660 1.00 0.00 C ATOM 1531 C ILE A 104 -4.836 18.502 -0.330 1.00 0.00 C ATOM 1532 O ILE A 104 -3.934 19.323 -0.503 1.00 0.00 O ATOM 1533 CB ILE A 104 -6.899 19.614 0.527 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.338 20.026 0.205 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.057 20.834 0.866 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.441 21.026 -0.924 1.00 0.00 C ATOM 0 H ILE A 104 -7.931 17.568 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.309 19.487 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.915 18.955 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.913 19.137 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.794 20.451 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.505 21.363 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.049 20.517 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.013 21.497 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.489 21.272 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -7.894 21.931 -0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.014 20.597 -1.830 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.620 17.280 0.145 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.281 16.821 0.498 1.00 0.00 C ATOM 1550 C HIS A 105 -2.315 17.019 -0.667 1.00 0.00 C ATOM 1551 O HIS A 105 -1.104 17.128 -0.470 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.314 15.348 0.904 1.00 0.00 C ATOM 1553 CG HIS A 105 -2.123 14.921 1.706 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -1.494 15.745 2.615 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -1.448 13.748 1.734 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -0.482 15.098 3.166 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -0.433 13.884 2.648 1.00 0.00 N ATOM 0 H HIS A 105 -5.355 16.589 0.295 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.931 17.414 1.343 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.218 15.159 1.483 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.376 14.733 0.006 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -1.667 12.869 1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 105 0.190 15.494 3.913 1.00 0.00 H new ATOM 0 HE2 HIS A 105 0.249 13.164 2.888 1.00 0.00 H new ATOM 1565 N CYS A 106 -2.858 17.063 -1.878 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.045 17.245 -3.075 1.00 0.00 C ATOM 1567 C CYS A 106 -1.270 18.558 -3.011 1.00 0.00 C ATOM 1568 O CYS A 106 -0.281 18.741 -3.720 1.00 0.00 O ATOM 1569 CB CYS A 106 -2.926 17.219 -4.325 1.00 0.00 C ATOM 1570 SG CYS A 106 -2.977 15.616 -5.159 1.00 0.00 S ATOM 0 H CYS A 106 -3.858 16.975 -2.057 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.330 16.424 -3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -3.941 17.504 -4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.564 17.970 -5.027 1.00 0.00 H new ATOM 0 HG CYS A 106 -2.488 14.703 -4.374 1.00 0.00 H new ATOM 1576 N SER A 107 -1.729 19.468 -2.158 1.00 0.00 N ATOM 1577 CA SER A 107 -1.082 20.766 -2.005 1.00 0.00 C ATOM 1578 C SER A 107 0.036 20.698 -0.970 1.00 0.00 C ATOM 1579 O SER A 107 1.036 21.410 -1.072 1.00 0.00 O ATOM 1580 CB SER A 107 -2.108 21.825 -1.595 1.00 0.00 C ATOM 1581 OG SER A 107 -1.471 23.036 -1.227 1.00 0.00 O ATOM 0 H SER A 107 -2.546 19.331 -1.563 1.00 0.00 H new ATOM 0 HA SER A 107 -0.647 21.043 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.796 22.008 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.703 21.455 -0.760 1.00 0.00 H new ATOM 0 HG SER A 107 -1.561 23.172 -0.261 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.140 19.836 0.026 1.00 0.00 N ATOM 1588 CA ILE A 108 0.854 19.673 1.079 1.00 0.00 C ATOM 1589 C ILE A 108 2.125 19.025 0.540 1.00 0.00 C ATOM 1590 O ILE A 108 3.224 19.279 1.037 1.00 0.00 O ATOM 1591 CB ILE A 108 0.310 18.820 2.240 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -0.678 19.634 3.080 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.453 18.310 3.104 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -2.111 19.511 2.613 1.00 0.00 C ATOM 0 H ILE A 108 -0.962 19.240 0.126 1.00 0.00 H new ATOM 0 HA ILE A 108 1.087 20.671 1.450 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.216 17.961 1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.613 19.309 4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.385 20.684 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.052 17.709 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.122 17.699 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 108 2.005 19.156 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.755 20.113 3.253 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.190 19.863 1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.422 18.468 2.664 1.00 0.00 H new ATOM 1606 N LEU A 109 1.970 18.189 -0.480 1.00 0.00 N ATOM 1607 CA LEU A 109 3.105 17.505 -1.089 1.00 0.00 C ATOM 1608 C LEU A 109 3.943 18.473 -1.917 1.00 0.00 C ATOM 1609 O LEU A 109 5.141 18.264 -2.111 1.00 0.00 O ATOM 1610 CB LEU A 109 2.619 16.352 -1.969 1.00 0.00 C ATOM 1611 CG LEU A 109 2.078 15.126 -1.232 1.00 0.00 C ATOM 1612 CD1 LEU A 109 0.701 14.752 -1.756 1.00 0.00 C ATOM 1613 CD2 LEU A 109 3.039 13.954 -1.368 1.00 0.00 C ATOM 0 H LEU A 109 1.069 17.968 -0.903 1.00 0.00 H new ATOM 0 HA LEU A 109 3.729 17.105 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.837 16.729 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.445 16.033 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 109 1.986 15.374 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.333 13.878 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.015 15.586 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.766 14.524 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.637 13.091 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.164 13.706 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.005 14.224 -0.942 1.00 0.00 H new ATOM 1625 N ALA A 110 3.307 19.535 -2.401 1.00 0.00 N ATOM 1626 CA ALA A 110 3.995 20.538 -3.204 1.00 0.00 C ATOM 1627 C ALA A 110 5.038 21.282 -2.377 1.00 0.00 C ATOM 1628 O ALA A 110 6.162 21.498 -2.830 1.00 0.00 O ATOM 1629 CB ALA A 110 2.993 21.517 -3.797 1.00 0.00 C ATOM 0 H ALA A 110 2.316 19.723 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 110 4.511 20.026 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.521 22.261 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.288 20.978 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.452 22.015 -2.993 1.00 0.00 H new ATOM 1635 N GLU A 111 4.658 21.671 -1.164 1.00 0.00 N ATOM 1636 CA GLU A 111 5.562 22.392 -0.276 1.00 0.00 C ATOM 1637 C GLU A 111 6.490 21.428 0.457 1.00 0.00 C ATOM 1638 O GLU A 111 7.566 21.812 0.915 1.00 0.00 O ATOM 1639 CB GLU A 111 4.766 23.220 0.736 1.00 0.00 C ATOM 1640 CG GLU A 111 3.926 22.379 1.682 1.00 0.00 C ATOM 1641 CD GLU A 111 4.212 22.681 3.141 1.00 0.00 C ATOM 1642 OE1 GLU A 111 5.380 22.977 3.466 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.268 22.620 3.956 1.00 0.00 O ATOM 0 H GLU A 111 3.731 21.499 -0.774 1.00 0.00 H new ATOM 0 HA GLU A 111 6.170 23.061 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.457 23.828 1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.114 23.908 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.870 22.555 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.116 21.323 1.489 1.00 0.00 H new ATOM 1650 N ASP A 112 6.064 20.174 0.564 1.00 0.00 N ATOM 1651 CA ASP A 112 6.856 19.153 1.240 1.00 0.00 C ATOM 1652 C ASP A 112 7.931 18.595 0.312 1.00 0.00 C ATOM 1653 O ASP A 112 8.987 18.154 0.764 1.00 0.00 O ATOM 1654 CB ASP A 112 5.953 18.021 1.734 1.00 0.00 C ATOM 1655 CG ASP A 112 5.248 18.367 3.030 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.165 19.569 3.359 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.778 17.435 3.716 1.00 0.00 O ATOM 0 H ASP A 112 5.175 19.840 0.191 1.00 0.00 H new ATOM 0 HA ASP A 112 7.346 19.617 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.210 17.793 0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.550 17.120 1.878 1.00 0.00 H new ATOM 1662 N ALA A 113 7.653 18.617 -0.987 1.00 0.00 N ATOM 1663 CA ALA A 113 8.596 18.115 -1.979 1.00 0.00 C ATOM 1664 C ALA A 113 9.783 19.059 -2.136 1.00 0.00 C ATOM 1665 O ALA A 113 10.933 18.622 -2.187 1.00 0.00 O ATOM 1666 CB ALA A 113 7.898 17.914 -3.316 1.00 0.00 C ATOM 0 H ALA A 113 6.782 18.977 -1.377 1.00 0.00 H new ATOM 0 HA ALA A 113 8.974 17.154 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.614 17.539 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.088 17.194 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.491 18.865 -3.661 1.00 0.00 H new ATOM 1672 N ILE A 114 9.496 20.354 -2.212 1.00 0.00 N ATOM 1673 CA ILE A 114 10.541 21.360 -2.363 1.00 0.00 C ATOM 1674 C ILE A 114 11.500 21.337 -1.178 1.00 0.00 C ATOM 1675 O ILE A 114 12.709 21.509 -1.340 1.00 0.00 O ATOM 1676 CB ILE A 114 9.946 22.773 -2.500 1.00 0.00 C ATOM 1677 CG1 ILE A 114 9.042 23.088 -1.307 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.172 22.898 -3.804 1.00 0.00 C ATOM 1679 CD1 ILE A 114 8.336 24.422 -1.418 1.00 0.00 C ATOM 0 H ILE A 114 8.549 20.732 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 114 11.087 21.115 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 114 10.763 23.495 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.297 22.299 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.640 23.077 -0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.757 23.903 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.842 22.712 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.362 22.169 -3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.713 24.578 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.075 25.220 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.711 24.430 -2.311 1.00 0.00 H new ATOM 1691 N LYS A 115 10.954 21.123 0.014 1.00 0.00 N ATOM 1692 CA LYS A 115 11.761 21.074 1.228 1.00 0.00 C ATOM 1693 C LYS A 115 12.710 19.881 1.203 1.00 0.00 C ATOM 1694 O LYS A 115 13.861 19.981 1.629 1.00 0.00 O ATOM 1695 CB LYS A 115 10.859 20.996 2.462 1.00 0.00 C ATOM 1696 CG LYS A 115 11.610 21.142 3.774 1.00 0.00 C ATOM 1697 CD LYS A 115 12.014 19.790 4.338 1.00 0.00 C ATOM 1698 CE LYS A 115 13.468 19.785 4.785 1.00 0.00 C ATOM 1699 NZ LYS A 115 13.789 18.592 5.616 1.00 0.00 N ATOM 0 H LYS A 115 9.955 20.981 0.166 1.00 0.00 H new ATOM 0 HA LYS A 115 12.355 21.987 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.101 21.777 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.334 20.041 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.499 21.753 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.984 21.666 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.372 19.540 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.862 19.019 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.117 19.803 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.676 20.691 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.619 18.795 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.977 18.363 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 13.996 17.783 4.996 1.00 0.00 H new ATOM 1713 N ALA A 116 12.222 18.752 0.700 1.00 0.00 N ATOM 1714 CA ALA A 116 13.028 17.541 0.616 1.00 0.00 C ATOM 1715 C ALA A 116 14.331 17.799 -0.133 1.00 0.00 C ATOM 1716 O ALA A 116 15.336 17.130 0.103 1.00 0.00 O ATOM 1717 CB ALA A 116 12.240 16.428 -0.060 1.00 0.00 C ATOM 0 H ALA A 116 11.271 18.651 0.344 1.00 0.00 H new ATOM 0 HA ALA A 116 13.278 17.230 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.854 15.529 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.340 16.217 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.960 16.740 -1.066 1.00 0.00 H new ATOM 1723 N ALA A 117 14.305 18.773 -1.037 1.00 0.00 N ATOM 1724 CA ALA A 117 15.485 19.120 -1.819 1.00 0.00 C ATOM 1725 C ALA A 117 16.455 19.968 -1.004 1.00 0.00 C ATOM 1726 O ALA A 117 17.669 19.781 -1.077 1.00 0.00 O ATOM 1727 CB ALA A 117 15.079 19.854 -3.089 1.00 0.00 C ATOM 0 H ALA A 117 13.480 19.335 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 117 15.993 18.195 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.970 20.107 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.431 19.214 -3.688 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.545 20.767 -2.827 1.00 0.00 H new ATOM 1733 N ILE A 118 15.911 20.900 -0.229 1.00 0.00 N ATOM 1734 CA ILE A 118 16.729 21.776 0.601 1.00 0.00 C ATOM 1735 C ILE A 118 17.485 20.982 1.660 1.00 0.00 C ATOM 1736 O ILE A 118 18.618 21.313 2.008 1.00 0.00 O ATOM 1737 CB ILE A 118 15.875 22.853 1.295 1.00 0.00 C ATOM 1738 CG1 ILE A 118 15.154 23.713 0.255 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.743 23.719 2.196 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.200 24.719 0.859 1.00 0.00 C ATOM 0 H ILE A 118 14.907 21.068 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 118 17.443 22.263 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 118 15.125 22.358 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.895 24.242 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.602 23.062 -0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 118 16.125 24.475 2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.214 23.096 2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.513 24.207 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.725 25.293 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.436 24.196 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.750 25.394 1.515 1.00 0.00 H new ATOM 1752 N ALA A 119 16.850 19.930 2.168 1.00 0.00 N ATOM 1753 CA ALA A 119 17.464 19.086 3.186 1.00 0.00 C ATOM 1754 C ALA A 119 18.493 18.144 2.569 1.00 0.00 C ATOM 1755 O ALA A 119 19.376 17.636 3.260 1.00 0.00 O ATOM 1756 CB ALA A 119 16.398 18.293 3.927 1.00 0.00 C ATOM 0 H ALA A 119 15.911 19.642 1.891 1.00 0.00 H new ATOM 0 HA ALA A 119 17.980 19.732 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 119 16.871 17.667 4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.701 18.980 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 119 15.857 17.663 3.221 1.00 0.00 H new ATOM 1762 N ASP A 120 18.372 17.914 1.266 1.00 0.00 N ATOM 1763 CA ASP A 120 19.292 17.033 0.557 1.00 0.00 C ATOM 1764 C ASP A 120 20.581 17.767 0.200 1.00 0.00 C ATOM 1765 O ASP A 120 21.656 17.169 0.154 1.00 0.00 O ATOM 1766 CB ASP A 120 18.634 16.487 -0.711 1.00 0.00 C ATOM 1767 CG ASP A 120 18.313 15.009 -0.607 1.00 0.00 C ATOM 1768 OD1 ASP A 120 17.429 14.650 0.199 1.00 0.00 O ATOM 1769 OD2 ASP A 120 18.946 14.212 -1.330 1.00 0.00 O ATOM 0 H ASP A 120 17.646 18.326 0.680 1.00 0.00 H new ATOM 0 HA ASP A 120 19.539 16.201 1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.717 17.042 -0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.296 16.653 -1.561 1.00 0.00 H new ATOM 1774 N TYR A 121 20.465 19.066 -0.054 1.00 0.00 N ATOM 1775 CA TYR A 121 21.620 19.881 -0.410 1.00 0.00 C ATOM 1776 C TYR A 121 22.583 20.006 0.766 1.00 0.00 C ATOM 1777 O TYR A 121 23.783 19.767 0.630 1.00 0.00 O ATOM 1778 CB TYR A 121 21.169 21.271 -0.864 1.00 0.00 C ATOM 1779 CG TYR A 121 22.299 22.271 -0.965 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.520 21.916 -1.526 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.146 23.571 -0.498 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.555 22.826 -1.619 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.175 24.488 -0.588 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.378 24.111 -1.149 1.00 0.00 C ATOM 1785 OH TYR A 121 25.406 25.021 -1.240 1.00 0.00 O ATOM 0 H TYR A 121 19.583 19.577 -0.020 1.00 0.00 H new ATOM 0 HA TYR A 121 22.141 19.388 -1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.682 21.186 -1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.423 21.648 -0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.662 20.911 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.206 23.869 -0.057 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.498 22.533 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.039 25.495 -0.221 1.00 0.00 H new ATOM 0 HH TYR A 121 25.082 25.838 -1.673 1.00 0.00 H new ATOM 1795 N LYS A 122 22.048 20.381 1.923 1.00 0.00 N ATOM 1796 CA LYS A 122 22.857 20.536 3.126 1.00 0.00 C ATOM 1797 C LYS A 122 23.581 19.237 3.466 1.00 0.00 C ATOM 1798 O LYS A 122 24.616 19.248 4.133 1.00 0.00 O ATOM 1799 CB LYS A 122 21.980 20.967 4.304 1.00 0.00 C ATOM 1800 CG LYS A 122 21.039 22.113 3.974 1.00 0.00 C ATOM 1801 CD LYS A 122 20.942 23.103 5.122 1.00 0.00 C ATOM 1802 CE LYS A 122 19.512 23.238 5.623 1.00 0.00 C ATOM 1803 NZ LYS A 122 19.460 23.737 7.025 1.00 0.00 N ATOM 0 H LYS A 122 21.057 20.583 2.053 1.00 0.00 H new ATOM 0 HA LYS A 122 23.603 21.308 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.394 20.112 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.621 21.262 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.389 22.626 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.048 21.718 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.586 22.778 5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.308 24.077 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.963 23.920 4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.013 22.271 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 18.469 23.815 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 19.962 23.073 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 19.913 24.672 7.078 1.00 0.00 H new ATOM 1817 N SER A 123 23.030 18.119 3.003 1.00 0.00 N ATOM 1818 CA SER A 123 23.623 16.812 3.261 1.00 0.00 C ATOM 1819 C SER A 123 24.776 16.539 2.300 1.00 0.00 C ATOM 1820 O SER A 123 25.620 15.680 2.552 1.00 0.00 O ATOM 1821 CB SER A 123 22.564 15.715 3.131 1.00 0.00 C ATOM 1822 OG SER A 123 21.559 15.856 4.119 1.00 0.00 O ATOM 0 H SER A 123 22.175 18.092 2.448 1.00 0.00 H new ATOM 0 HA SER A 123 24.014 16.811 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 123 22.112 15.757 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 123 23.036 14.737 3.225 1.00 0.00 H new ATOM 0 HG SER A 123 20.858 16.456 3.789 1.00 0.00 H new ATOM 1828 N LYS A 124 24.804 17.277 1.195 1.00 0.00 N ATOM 1829 CA LYS A 124 25.852 17.118 0.195 1.00 0.00 C ATOM 1830 C LYS A 124 27.144 17.790 0.648 1.00 0.00 C ATOM 1831 O LYS A 124 28.236 17.404 0.230 1.00 0.00 O ATOM 1832 CB LYS A 124 25.402 17.706 -1.144 1.00 0.00 C ATOM 1833 CG LYS A 124 24.224 16.975 -1.765 1.00 0.00 C ATOM 1834 CD LYS A 124 24.681 15.794 -2.604 1.00 0.00 C ATOM 1835 CE LYS A 124 24.845 16.179 -4.066 1.00 0.00 C ATOM 1836 NZ LYS A 124 24.999 14.984 -4.941 1.00 0.00 N ATOM 0 H LYS A 124 24.112 17.992 0.970 1.00 0.00 H new ATOM 0 HA LYS A 124 26.042 16.052 0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 124 25.134 18.753 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 124 26.240 17.685 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 124 23.555 16.626 -0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 124 23.653 17.665 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 124 25.628 15.417 -2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.957 14.984 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 124 23.978 16.756 -4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 124 25.717 16.824 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.108 15.289 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 25.840 14.447 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 24.156 14.381 -4.856 1.00 0.00 H new ATOM 1850 N ARG A 125 27.013 18.796 1.507 1.00 0.00 N ATOM 1851 CA ARG A 125 28.170 19.521 2.017 1.00 0.00 C ATOM 1852 C ARG A 125 28.455 19.138 3.467 1.00 0.00 C ATOM 1853 O ARG A 125 29.476 19.529 4.032 1.00 0.00 O ATOM 1854 CB ARG A 125 27.940 21.030 1.913 1.00 0.00 C ATOM 1855 CG ARG A 125 26.788 21.531 2.768 1.00 0.00 C ATOM 1856 CD ARG A 125 27.271 22.491 3.845 1.00 0.00 C ATOM 1857 NE ARG A 125 26.347 22.556 4.974 1.00 0.00 N ATOM 1858 CZ ARG A 125 26.625 23.174 6.116 1.00 0.00 C ATOM 1859 NH1 ARG A 125 27.795 23.777 6.280 1.00 0.00 N ATOM 1860 NH2 ARG A 125 25.733 23.190 7.098 1.00 0.00 N ATOM 0 H ARG A 125 26.117 19.127 1.864 1.00 0.00 H new ATOM 0 HA ARG A 125 29.034 19.250 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.852 21.549 2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.748 21.289 0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 125 26.054 22.031 2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 125 26.283 20.684 3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 125 28.253 22.176 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.391 23.486 3.417 1.00 0.00 H new ATOM 0 HE ARG A 125 25.438 22.102 4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 125 28.484 23.767 5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 125 28.006 24.251 7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.832 22.727 6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 125 25.948 23.665 7.975 1.00 0.00 H new