USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 727 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 83 ASN :FLIP amide:sc= 1.06 F(o=-2.1,f=-0.49) USER MOD Set 1.2: A 100 HIS :FLIP no HD1:sc= -1.55 X(o=-0.62,f=-0.49) USER MOD Single : A 29 ASN : amide:sc=-0.00862 X(o=-0.0086,f=-0.25) USER MOD Single : A 35 CYS SG : rot 175:sc= -0.0452 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0177 (180deg=-0.179) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.409 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.671 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.153 F(o=-1.1,f=-0.15) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.12) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00208 USER MOD Single : A 93 MET CE :methyl -143:sc= -0.117 (180deg=-2.57!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.79! C(o=-1.8!,f=-3.2!) USER MOD Single : A 101 LYS NZ :NH3+ 140:sc= 1.22 (180deg=0.256) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -109:sc= 1.04 USER MOD Single : A 111 TYR OH : rot 144:sc= 0.225 USER MOD Single : A 112 SER OG : rot 105:sc= 0.59 USER MOD Single : A 115 ASN : amide:sc= -0.39 X(o=-0.39,f=-0.31) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 471 N ASN A 29 -20.051 -4.219 -37.431 1.00 3.21 N ATOM 472 CA ASN A 29 -21.164 -3.277 -37.377 1.00 63.25 C ATOM 473 C ASN A 29 -21.817 -3.285 -35.999 1.00 1.42 C ATOM 474 O ASN A 29 -22.528 -4.224 -35.643 1.00 34.41 O ATOM 475 CB ASN A 29 -22.202 -3.621 -38.448 1.00 65.00 C ATOM 476 CG ASN A 29 -21.564 -4.025 -39.764 1.00 1.33 C ATOM 477 OD1 ASN A 29 -20.551 -3.458 -40.175 1.00 33.05 O ATOM 478 ND2 ASN A 29 -22.155 -5.008 -40.430 1.00 42.24 N ATOM 0 HA ASN A 29 -20.772 -2.278 -37.567 1.00 63.25 H new ATOM 0 HB2 ASN A 29 -22.834 -4.433 -38.090 1.00 65.00 H new ATOM 0 HB3 ASN A 29 -22.851 -2.760 -38.611 1.00 65.00 H new ATOM 0 HD21 ASN A 29 -21.771 -5.323 -41.321 1.00 42.24 H new ATOM 0 HD22 ASN A 29 -22.993 -5.449 -40.051 1.00 42.24 H new ATOM 485 N ARG A 30 -21.571 -2.230 -35.228 1.00 62.11 N ATOM 486 CA ARG A 30 -22.134 -2.115 -33.889 1.00 75.43 C ATOM 487 C ARG A 30 -22.940 -0.828 -33.747 1.00 13.42 C ATOM 488 O ARG A 30 -22.562 0.215 -34.281 1.00 20.15 O ATOM 489 CB ARG A 30 -21.022 -2.152 -32.840 1.00 20.24 C ATOM 490 CG ARG A 30 -20.039 -0.998 -32.954 1.00 52.11 C ATOM 491 CD ARG A 30 -18.722 -1.318 -32.263 1.00 43.23 C ATOM 492 NE ARG A 30 -17.760 -1.931 -33.176 1.00 12.14 N ATOM 493 CZ ARG A 30 -17.099 -1.255 -34.108 1.00 23.44 C ATOM 494 NH1 ARG A 30 -17.294 0.049 -34.250 1.00 64.23 N ATOM 495 NH2 ARG A 30 -16.240 -1.883 -34.901 1.00 5.24 N ATOM 0 H ARG A 30 -20.986 -1.443 -35.508 1.00 62.11 H new ATOM 0 HA ARG A 30 -22.802 -2.961 -33.729 1.00 75.43 H new ATOM 0 HB2 ARG A 30 -21.471 -2.139 -31.847 1.00 20.24 H new ATOM 0 HB3 ARG A 30 -20.478 -3.092 -32.932 1.00 20.24 H new ATOM 0 HG2 ARG A 30 -19.855 -0.778 -34.006 1.00 52.11 H new ATOM 0 HG3 ARG A 30 -20.475 -0.102 -32.512 1.00 52.11 H new ATOM 0 HD2 ARG A 30 -18.298 -0.403 -31.850 1.00 43.23 H new ATOM 0 HD3 ARG A 30 -18.906 -1.991 -31.425 1.00 43.23 H new ATOM 0 HE ARG A 30 -17.587 -2.933 -33.093 1.00 12.14 H new ATOM 0 HH11 ARG A 30 -17.953 0.535 -33.642 1.00 64.23 H new ATOM 0 HH12 ARG A 30 -16.785 0.566 -34.967 1.00 64.23 H new ATOM 0 HH21 ARG A 30 -16.087 -2.886 -34.795 1.00 5.24 H new ATOM 0 HH22 ARG A 30 -15.733 -1.363 -35.617 1.00 5.24 H new ATOM 509 N ILE A 31 -24.053 -0.909 -33.024 1.00 42.10 N ATOM 510 CA ILE A 31 -24.911 0.250 -32.812 1.00 1.10 C ATOM 511 C ILE A 31 -24.924 0.664 -31.344 1.00 21.44 C ATOM 512 O ILE A 31 -25.738 0.195 -30.549 1.00 30.23 O ATOM 513 CB ILE A 31 -26.356 -0.028 -33.267 1.00 72.21 C ATOM 514 CG1 ILE A 31 -26.765 -1.455 -32.895 1.00 1.23 C ATOM 515 CG2 ILE A 31 -26.490 0.193 -34.766 1.00 40.35 C ATOM 516 CD1 ILE A 31 -28.177 -1.806 -33.309 1.00 25.20 C ATOM 0 H ILE A 31 -24.381 -1.765 -32.576 1.00 42.10 H new ATOM 0 HA ILE A 31 -24.499 1.061 -33.413 1.00 1.10 H new ATOM 0 HB ILE A 31 -27.023 0.666 -32.756 1.00 72.21 H new ATOM 0 HG12 ILE A 31 -26.073 -2.156 -33.362 1.00 1.23 H new ATOM 0 HG13 ILE A 31 -26.669 -1.583 -31.817 1.00 1.23 H new ATOM 0 HG21 ILE A 31 -27.517 -0.007 -35.073 1.00 40.35 H new ATOM 0 HG22 ILE A 31 -26.234 1.225 -35.006 1.00 40.35 H new ATOM 0 HG23 ILE A 31 -25.815 -0.480 -35.295 1.00 40.35 H new ATOM 0 HD11 ILE A 31 -28.398 -2.832 -33.014 1.00 25.20 H new ATOM 0 HD12 ILE A 31 -28.878 -1.129 -32.821 1.00 25.20 H new ATOM 0 HD13 ILE A 31 -28.273 -1.711 -34.391 1.00 25.20 H new ATOM 528 N PRO A 32 -24.000 1.564 -30.975 1.00 53.01 N ATOM 529 CA PRO A 32 -23.886 2.062 -29.601 1.00 41.22 C ATOM 530 C PRO A 32 -25.057 2.957 -29.210 1.00 2.14 C ATOM 531 O PRO A 32 -25.024 4.169 -29.423 1.00 60.24 O ATOM 532 CB PRO A 32 -22.583 2.865 -29.623 1.00 11.31 C ATOM 533 CG PRO A 32 -22.417 3.278 -31.044 1.00 42.43 C ATOM 534 CD PRO A 32 -22.998 2.165 -31.870 1.00 30.33 C ATOM 0 HA PRO A 32 -23.892 1.252 -28.871 1.00 41.22 H new ATOM 0 HB2 PRO A 32 -22.640 3.731 -28.963 1.00 11.31 H new ATOM 0 HB3 PRO A 32 -21.740 2.262 -29.285 1.00 11.31 H new ATOM 0 HG2 PRO A 32 -22.932 4.219 -31.240 1.00 42.43 H new ATOM 0 HG3 PRO A 32 -21.365 3.434 -31.285 1.00 42.43 H new ATOM 0 HD2 PRO A 32 -23.452 2.540 -32.787 1.00 30.33 H new ATOM 0 HD3 PRO A 32 -22.236 1.443 -32.163 1.00 30.33 H new ATOM 542 N VAL A 33 -26.092 2.353 -28.635 1.00 33.43 N ATOM 543 CA VAL A 33 -27.273 3.095 -28.212 1.00 40.13 C ATOM 544 C VAL A 33 -27.157 3.529 -26.755 1.00 72.44 C ATOM 545 O VAL A 33 -26.515 2.857 -25.946 1.00 74.32 O ATOM 546 CB VAL A 33 -28.555 2.258 -28.387 1.00 1.44 C ATOM 547 CG1 VAL A 33 -28.836 2.014 -29.862 1.00 13.33 C ATOM 548 CG2 VAL A 33 -28.439 0.942 -27.634 1.00 22.35 C ATOM 0 H VAL A 33 -26.136 1.351 -28.451 1.00 33.43 H new ATOM 0 HA VAL A 33 -27.336 3.979 -28.847 1.00 40.13 H new ATOM 0 HB VAL A 33 -29.392 2.817 -27.969 1.00 1.44 H new ATOM 0 HG11 VAL A 33 -29.745 1.421 -29.966 1.00 13.33 H new ATOM 0 HG12 VAL A 33 -28.965 2.969 -30.371 1.00 13.33 H new ATOM 0 HG13 VAL A 33 -27.999 1.476 -30.308 1.00 13.33 H new ATOM 0 HG21 VAL A 33 -29.353 0.364 -27.769 1.00 22.35 H new ATOM 0 HG22 VAL A 33 -27.591 0.376 -28.020 1.00 22.35 H new ATOM 0 HG23 VAL A 33 -28.289 1.142 -26.573 1.00 22.35 H new ATOM 558 N ILE A 34 -27.784 4.653 -26.426 1.00 72.21 N ATOM 559 CA ILE A 34 -27.752 5.175 -25.066 1.00 34.30 C ATOM 560 C ILE A 34 -29.097 4.984 -24.372 1.00 55.21 C ATOM 561 O ILE A 34 -30.133 5.425 -24.873 1.00 43.41 O ATOM 562 CB ILE A 34 -27.384 6.670 -25.044 1.00 40.31 C ATOM 563 CG1 ILE A 34 -26.011 6.888 -25.684 1.00 20.04 C ATOM 564 CG2 ILE A 34 -27.401 7.199 -23.618 1.00 43.43 C ATOM 565 CD1 ILE A 34 -24.900 6.119 -25.005 1.00 65.24 C ATOM 0 H ILE A 34 -28.320 5.220 -27.083 1.00 72.21 H new ATOM 0 HA ILE A 34 -26.986 4.613 -24.531 1.00 34.30 H new ATOM 0 HB ILE A 34 -28.125 7.221 -25.623 1.00 40.31 H new ATOM 0 HG12 ILE A 34 -26.057 6.594 -26.733 1.00 20.04 H new ATOM 0 HG13 ILE A 34 -25.773 7.951 -25.661 1.00 20.04 H new ATOM 0 HG21 ILE A 34 -27.139 8.257 -23.619 1.00 43.43 H new ATOM 0 HG22 ILE A 34 -28.398 7.073 -23.195 1.00 43.43 H new ATOM 0 HG23 ILE A 34 -26.679 6.647 -23.017 1.00 43.43 H new ATOM 0 HD11 ILE A 34 -23.956 6.321 -25.511 1.00 65.24 H new ATOM 0 HD12 ILE A 34 -24.827 6.430 -23.963 1.00 65.24 H new ATOM 0 HD13 ILE A 34 -25.115 5.051 -25.051 1.00 65.24 H new ATOM 577 N CYS A 35 -29.073 4.327 -23.218 1.00 51.14 N ATOM 578 CA CYS A 35 -30.291 4.079 -22.454 1.00 54.45 C ATOM 579 C CYS A 35 -30.410 5.054 -21.288 1.00 64.13 C ATOM 580 O CYS A 35 -29.431 5.330 -20.595 1.00 60.52 O ATOM 581 CB CYS A 35 -30.309 2.640 -21.937 1.00 13.24 C ATOM 582 SG CYS A 35 -31.675 2.279 -20.807 1.00 64.31 S ATOM 0 H CYS A 35 -28.224 3.956 -22.791 1.00 51.14 H new ATOM 0 HA CYS A 35 -31.143 4.229 -23.117 1.00 54.45 H new ATOM 0 HB2 CYS A 35 -30.366 1.960 -22.787 1.00 13.24 H new ATOM 0 HB3 CYS A 35 -29.367 2.436 -21.428 1.00 13.24 H new ATOM 0 HG CYS A 35 -31.670 1.013 -20.511 1.00 64.31 H new ATOM 588 N GLU A 36 -31.615 5.574 -21.078 1.00 10.11 N ATOM 589 CA GLU A 36 -31.860 6.521 -19.996 1.00 61.34 C ATOM 590 C GLU A 36 -32.826 5.937 -18.970 1.00 71.55 C ATOM 591 O GLU A 36 -33.381 4.855 -19.168 1.00 21.12 O ATOM 592 CB GLU A 36 -32.420 7.831 -20.553 1.00 53.02 C ATOM 593 CG GLU A 36 -31.659 9.063 -20.092 1.00 53.31 C ATOM 594 CD GLU A 36 -32.513 10.317 -20.112 1.00 3.14 C ATOM 595 OE1 GLU A 36 -33.235 10.526 -21.109 1.00 11.42 O ATOM 596 OE2 GLU A 36 -32.458 11.088 -19.131 1.00 71.11 O ATOM 0 H GLU A 36 -32.436 5.356 -21.642 1.00 10.11 H new ATOM 0 HA GLU A 36 -30.910 6.722 -19.501 1.00 61.34 H new ATOM 0 HB2 GLU A 36 -32.403 7.790 -21.642 1.00 53.02 H new ATOM 0 HB3 GLU A 36 -33.464 7.926 -20.254 1.00 53.02 H new ATOM 0 HG2 GLU A 36 -31.286 8.898 -19.081 1.00 53.31 H new ATOM 0 HG3 GLU A 36 -30.790 9.210 -20.733 1.00 53.31 H new ATOM 603 N LYS A 37 -33.022 6.659 -17.873 1.00 12.22 N ATOM 604 CA LYS A 37 -33.921 6.215 -16.814 1.00 71.24 C ATOM 605 C LYS A 37 -35.147 7.118 -16.726 1.00 52.23 C ATOM 606 O LYS A 37 -35.025 8.334 -16.579 1.00 23.31 O ATOM 607 CB LYS A 37 -33.190 6.197 -15.469 1.00 40.11 C ATOM 608 CG LYS A 37 -32.413 7.471 -15.183 1.00 71.41 C ATOM 609 CD LYS A 37 -32.381 7.782 -13.696 1.00 31.51 C ATOM 610 CE LYS A 37 -33.572 8.631 -13.279 1.00 13.11 C ATOM 611 NZ LYS A 37 -33.349 9.289 -11.961 1.00 51.13 N ATOM 0 H LYS A 37 -32.570 7.556 -17.693 1.00 12.22 H new ATOM 0 HA LYS A 37 -34.252 5.205 -17.054 1.00 71.24 H new ATOM 0 HB2 LYS A 37 -33.916 6.038 -14.672 1.00 40.11 H new ATOM 0 HB3 LYS A 37 -32.504 5.350 -15.449 1.00 40.11 H new ATOM 0 HG2 LYS A 37 -31.394 7.368 -15.556 1.00 71.41 H new ATOM 0 HG3 LYS A 37 -32.867 8.304 -15.720 1.00 71.41 H new ATOM 0 HD2 LYS A 37 -32.380 6.851 -13.128 1.00 31.51 H new ATOM 0 HD3 LYS A 37 -31.456 8.305 -13.452 1.00 31.51 H new ATOM 0 HE2 LYS A 37 -33.760 9.391 -14.037 1.00 13.11 H new ATOM 0 HE3 LYS A 37 -34.463 8.006 -13.227 1.00 13.11 H new ATOM 0 HZ1 LYS A 37 -34.183 9.858 -11.712 1.00 51.13 H new ATOM 0 HZ2 LYS A 37 -33.195 8.563 -11.232 1.00 51.13 H new ATOM 0 HZ3 LYS A 37 -32.513 9.905 -12.018 1.00 51.13 H new ATOM 625 N ALA A 38 -36.328 6.516 -16.817 1.00 10.44 N ATOM 626 CA ALA A 38 -37.576 7.266 -16.743 1.00 44.04 C ATOM 627 C ALA A 38 -38.047 7.410 -15.300 1.00 64.11 C ATOM 628 O ALA A 38 -38.094 6.433 -14.554 1.00 34.10 O ATOM 629 CB ALA A 38 -38.648 6.591 -17.586 1.00 33.32 C ATOM 0 H ALA A 38 -36.447 5.511 -16.942 1.00 10.44 H new ATOM 0 HA ALA A 38 -37.394 8.265 -17.138 1.00 44.04 H new ATOM 0 HB1 ALA A 38 -39.574 7.162 -17.522 1.00 33.32 H new ATOM 0 HB2 ALA A 38 -38.320 6.547 -18.625 1.00 33.32 H new ATOM 0 HB3 ALA A 38 -38.818 5.580 -17.217 1.00 33.32 H new ATOM 635 N GLU A 39 -38.392 8.635 -14.915 1.00 30.32 N ATOM 636 CA GLU A 39 -38.857 8.905 -13.559 1.00 70.41 C ATOM 637 C GLU A 39 -40.302 8.449 -13.379 1.00 64.52 C ATOM 638 O GLU A 39 -40.753 8.204 -12.260 1.00 30.22 O ATOM 639 CB GLU A 39 -38.739 10.397 -13.244 1.00 53.31 C ATOM 640 CG GLU A 39 -38.968 10.730 -11.780 1.00 3.03 C ATOM 641 CD GLU A 39 -38.313 12.035 -11.368 1.00 30.32 C ATOM 642 OE1 GLU A 39 -37.148 12.261 -11.757 1.00 62.33 O ATOM 643 OE2 GLU A 39 -38.964 12.828 -10.658 1.00 23.13 O ATOM 0 H GLU A 39 -38.358 9.455 -15.521 1.00 30.32 H new ATOM 0 HA GLU A 39 -38.228 8.344 -12.868 1.00 70.41 H new ATOM 0 HB2 GLU A 39 -37.748 10.744 -13.536 1.00 53.31 H new ATOM 0 HB3 GLU A 39 -39.460 10.946 -13.850 1.00 53.31 H new ATOM 0 HG2 GLU A 39 -40.039 10.789 -11.588 1.00 3.03 H new ATOM 0 HG3 GLU A 39 -38.578 9.921 -11.162 1.00 3.03 H new ATOM 650 N LYS A 40 -41.024 8.337 -14.489 1.00 63.53 N ATOM 651 CA LYS A 40 -42.417 7.908 -14.456 1.00 10.41 C ATOM 652 C LYS A 40 -42.519 6.386 -14.432 1.00 3.54 C ATOM 653 O LYS A 40 -43.097 5.780 -15.334 1.00 64.41 O ATOM 654 CB LYS A 40 -43.171 8.462 -15.667 1.00 43.41 C ATOM 655 CG LYS A 40 -44.651 8.685 -15.413 1.00 12.12 C ATOM 656 CD LYS A 40 -45.355 9.218 -16.650 1.00 11.05 C ATOM 657 CE LYS A 40 -45.000 10.675 -16.909 1.00 30.13 C ATOM 658 NZ LYS A 40 -45.230 11.058 -18.330 1.00 33.35 N ATOM 0 H LYS A 40 -40.667 8.538 -15.423 1.00 63.53 H new ATOM 0 HA LYS A 40 -42.869 8.298 -13.544 1.00 10.41 H new ATOM 0 HB2 LYS A 40 -42.716 9.406 -15.966 1.00 43.41 H new ATOM 0 HB3 LYS A 40 -43.054 7.773 -16.503 1.00 43.41 H new ATOM 0 HG2 LYS A 40 -45.114 7.747 -15.106 1.00 12.12 H new ATOM 0 HG3 LYS A 40 -44.778 9.388 -14.590 1.00 12.12 H new ATOM 0 HD2 LYS A 40 -45.078 8.616 -17.515 1.00 11.05 H new ATOM 0 HD3 LYS A 40 -46.434 9.122 -16.526 1.00 11.05 H new ATOM 0 HE2 LYS A 40 -45.597 11.315 -16.259 1.00 30.13 H new ATOM 0 HE3 LYS A 40 -43.955 10.845 -16.652 1.00 30.13 H new ATOM 0 HZ1 LYS A 40 -44.976 12.057 -18.466 1.00 33.35 H new ATOM 0 HZ2 LYS A 40 -44.642 10.464 -18.949 1.00 33.35 H new ATOM 0 HZ3 LYS A 40 -46.233 10.920 -18.569 1.00 33.35 H new ATOM 672 N SER A 41 -41.956 5.777 -13.394 1.00 43.00 N ATOM 673 CA SER A 41 -41.981 4.325 -13.255 1.00 13.34 C ATOM 674 C SER A 41 -41.415 3.900 -11.903 1.00 63.33 C ATOM 675 O SER A 41 -40.690 4.655 -11.256 1.00 53.53 O ATOM 676 CB SER A 41 -41.185 3.669 -14.384 1.00 63.32 C ATOM 677 OG SER A 41 -41.591 2.325 -14.580 1.00 22.22 O ATOM 0 H SER A 41 -41.477 6.265 -12.637 1.00 43.00 H new ATOM 0 HA SER A 41 -43.019 3.996 -13.315 1.00 13.34 H new ATOM 0 HB2 SER A 41 -41.324 4.233 -15.307 1.00 63.32 H new ATOM 0 HB3 SER A 41 -40.121 3.700 -14.149 1.00 63.32 H new ATOM 0 HG SER A 41 -41.069 1.928 -15.308 1.00 22.22 H new ATOM 683 N ASP A 42 -41.751 2.684 -11.485 1.00 3.45 N ATOM 684 CA ASP A 42 -41.276 2.156 -10.211 1.00 43.23 C ATOM 685 C ASP A 42 -40.045 1.277 -10.413 1.00 53.34 C ATOM 686 O ASP A 42 -39.607 0.585 -9.494 1.00 15.01 O ATOM 687 CB ASP A 42 -42.382 1.356 -9.522 1.00 2.10 C ATOM 688 CG ASP A 42 -43.497 2.240 -9.000 1.00 51.52 C ATOM 689 OD1 ASP A 42 -43.804 3.258 -9.656 1.00 51.31 O ATOM 690 OD2 ASP A 42 -44.063 1.914 -7.936 1.00 43.43 O ATOM 0 H ASP A 42 -42.350 2.046 -12.009 1.00 3.45 H new ATOM 0 HA ASP A 42 -40.999 2.998 -9.577 1.00 43.23 H new ATOM 0 HB2 ASP A 42 -42.795 0.633 -10.225 1.00 2.10 H new ATOM 0 HB3 ASP A 42 -41.955 0.789 -8.695 1.00 2.10 H new ATOM 695 N ILE A 43 -39.493 1.310 -11.621 1.00 64.34 N ATOM 696 CA ILE A 43 -38.314 0.516 -11.943 1.00 24.55 C ATOM 697 C ILE A 43 -37.064 1.098 -11.288 1.00 60.15 C ATOM 698 O ILE A 43 -36.946 2.306 -11.082 1.00 54.03 O ATOM 699 CB ILE A 43 -38.090 0.430 -13.464 1.00 12.23 C ATOM 700 CG1 ILE A 43 -38.266 -1.011 -13.947 1.00 1.10 C ATOM 701 CG2 ILE A 43 -36.708 0.952 -13.827 1.00 23.50 C ATOM 702 CD1 ILE A 43 -38.969 -1.119 -15.282 1.00 73.14 C ATOM 0 H ILE A 43 -39.843 1.878 -12.393 1.00 64.34 H new ATOM 0 HA ILE A 43 -38.493 -0.486 -11.554 1.00 24.55 H new ATOM 0 HB ILE A 43 -38.833 1.053 -13.961 1.00 12.23 H new ATOM 0 HG12 ILE A 43 -37.286 -1.483 -14.022 1.00 1.10 H new ATOM 0 HG13 ILE A 43 -38.832 -1.569 -13.201 1.00 1.10 H new ATOM 0 HG21 ILE A 43 -36.565 0.884 -14.905 1.00 23.50 H new ATOM 0 HG22 ILE A 43 -36.618 1.992 -13.514 1.00 23.50 H new ATOM 0 HG23 ILE A 43 -35.949 0.354 -13.322 1.00 23.50 H new ATOM 0 HD11 ILE A 43 -39.059 -2.169 -15.562 1.00 73.14 H new ATOM 0 HD12 ILE A 43 -39.963 -0.677 -15.207 1.00 73.14 H new ATOM 0 HD13 ILE A 43 -38.393 -0.589 -16.041 1.00 73.14 H new ATOM 714 N PRO A 44 -36.107 0.219 -10.956 1.00 61.35 N ATOM 715 CA PRO A 44 -34.848 0.622 -10.323 1.00 43.21 C ATOM 716 C PRO A 44 -33.943 1.398 -11.274 1.00 35.23 C ATOM 717 O PRO A 44 -34.171 1.417 -12.483 1.00 61.13 O ATOM 718 CB PRO A 44 -34.202 -0.711 -9.937 1.00 63.24 C ATOM 719 CG PRO A 44 -34.778 -1.700 -10.890 1.00 74.43 C ATOM 720 CD PRO A 44 -36.180 -1.236 -11.173 1.00 3.24 C ATOM 0 HA PRO A 44 -35.012 1.291 -9.479 1.00 43.21 H new ATOM 0 HB2 PRO A 44 -33.116 -0.664 -10.023 1.00 63.24 H new ATOM 0 HB3 PRO A 44 -34.429 -0.977 -8.905 1.00 63.24 H new ATOM 0 HG2 PRO A 44 -34.190 -1.746 -11.807 1.00 74.43 H new ATOM 0 HG3 PRO A 44 -34.778 -2.702 -10.460 1.00 74.43 H new ATOM 0 HD2 PRO A 44 -36.485 -1.476 -12.192 1.00 3.24 H new ATOM 0 HD3 PRO A 44 -36.902 -1.706 -10.505 1.00 3.24 H new ATOM 728 N GLU A 45 -32.916 2.034 -10.720 1.00 61.50 N ATOM 729 CA GLU A 45 -31.977 2.810 -11.521 1.00 4.43 C ATOM 730 C GLU A 45 -30.934 1.904 -12.168 1.00 31.02 C ATOM 731 O GLU A 45 -29.920 1.572 -11.555 1.00 63.04 O ATOM 732 CB GLU A 45 -31.284 3.865 -10.655 1.00 31.14 C ATOM 733 CG GLU A 45 -31.261 5.248 -11.283 1.00 14.34 C ATOM 734 CD GLU A 45 -30.060 6.066 -10.849 1.00 24.15 C ATOM 735 OE1 GLU A 45 -28.923 5.565 -10.982 1.00 54.11 O ATOM 736 OE2 GLU A 45 -30.256 7.205 -10.377 1.00 30.24 O ATOM 0 H GLU A 45 -32.713 2.027 -9.720 1.00 61.50 H new ATOM 0 HA GLU A 45 -32.539 3.309 -12.310 1.00 4.43 H new ATOM 0 HB2 GLU A 45 -31.790 3.921 -9.691 1.00 31.14 H new ATOM 0 HB3 GLU A 45 -30.260 3.547 -10.459 1.00 31.14 H new ATOM 0 HG2 GLU A 45 -31.256 5.150 -12.369 1.00 14.34 H new ATOM 0 HG3 GLU A 45 -32.174 5.780 -11.015 1.00 14.34 H new ATOM 743 N ILE A 46 -31.194 1.507 -13.410 1.00 4.12 N ATOM 744 CA ILE A 46 -30.279 0.640 -14.141 1.00 24.14 C ATOM 745 C ILE A 46 -28.883 1.252 -14.216 1.00 54.21 C ATOM 746 O ILE A 46 -28.709 2.453 -14.009 1.00 71.13 O ATOM 747 CB ILE A 46 -30.784 0.365 -15.569 1.00 63.11 C ATOM 748 CG1 ILE A 46 -30.080 -0.861 -16.155 1.00 73.42 C ATOM 749 CG2 ILE A 46 -30.562 1.582 -16.453 1.00 45.51 C ATOM 750 CD1 ILE A 46 -30.737 -1.394 -17.409 1.00 54.42 C ATOM 0 H ILE A 46 -32.030 1.772 -13.930 1.00 4.12 H new ATOM 0 HA ILE A 46 -30.232 -0.301 -13.594 1.00 24.14 H new ATOM 0 HB ILE A 46 -31.854 0.161 -15.527 1.00 63.11 H new ATOM 0 HG12 ILE A 46 -29.045 -0.603 -16.379 1.00 73.42 H new ATOM 0 HG13 ILE A 46 -30.057 -1.650 -15.403 1.00 73.42 H new ATOM 0 HG21 ILE A 46 -30.924 1.372 -17.459 1.00 45.51 H new ATOM 0 HG22 ILE A 46 -31.105 2.434 -16.043 1.00 45.51 H new ATOM 0 HG23 ILE A 46 -29.498 1.814 -16.492 1.00 45.51 H new ATOM 0 HD11 ILE A 46 -30.185 -2.262 -17.768 1.00 54.42 H new ATOM 0 HD12 ILE A 46 -31.764 -1.684 -17.187 1.00 54.42 H new ATOM 0 HD13 ILE A 46 -30.736 -0.620 -18.177 1.00 54.42 H new ATOM 762 N ASP A 47 -27.893 0.418 -14.515 1.00 51.34 N ATOM 763 CA ASP A 47 -26.514 0.877 -14.622 1.00 23.35 C ATOM 764 C ASP A 47 -26.429 2.161 -15.441 1.00 61.15 C ATOM 765 O ASP A 47 -25.730 3.104 -15.068 1.00 52.45 O ATOM 766 CB ASP A 47 -25.641 -0.206 -15.256 1.00 63.44 C ATOM 767 CG ASP A 47 -25.359 -1.353 -14.307 1.00 25.44 C ATOM 768 OD1 ASP A 47 -26.319 -2.048 -13.914 1.00 52.23 O ATOM 769 OD2 ASP A 47 -24.177 -1.557 -13.954 1.00 12.24 O ATOM 0 H ASP A 47 -28.020 -0.579 -14.687 1.00 51.34 H new ATOM 0 HA ASP A 47 -26.148 1.085 -13.616 1.00 23.35 H new ATOM 0 HB2 ASP A 47 -26.135 -0.590 -16.148 1.00 63.44 H new ATOM 0 HB3 ASP A 47 -24.698 0.235 -15.579 1.00 63.44 H new ATOM 774 N LYS A 48 -27.144 2.190 -16.560 1.00 40.45 N ATOM 775 CA LYS A 48 -27.152 3.357 -17.434 1.00 41.43 C ATOM 776 C LYS A 48 -25.775 3.583 -18.052 1.00 11.43 C ATOM 777 O LYS A 48 -25.010 4.432 -17.592 1.00 33.02 O ATOM 778 CB LYS A 48 -27.583 4.601 -16.654 1.00 4.14 C ATOM 779 CG LYS A 48 -27.992 5.765 -17.541 1.00 60.44 C ATOM 780 CD LYS A 48 -29.429 6.184 -17.282 1.00 53.31 C ATOM 781 CE LYS A 48 -29.594 7.694 -17.374 1.00 25.23 C ATOM 782 NZ LYS A 48 -29.012 8.388 -16.191 1.00 42.00 N ATOM 0 H LYS A 48 -27.726 1.418 -16.884 1.00 40.45 H new ATOM 0 HA LYS A 48 -27.866 3.174 -18.237 1.00 41.43 H new ATOM 0 HB2 LYS A 48 -28.418 4.340 -16.003 1.00 4.14 H new ATOM 0 HB3 LYS A 48 -26.763 4.917 -16.009 1.00 4.14 H new ATOM 0 HG2 LYS A 48 -27.328 6.611 -17.363 1.00 60.44 H new ATOM 0 HG3 LYS A 48 -27.877 5.484 -18.588 1.00 60.44 H new ATOM 0 HD2 LYS A 48 -30.086 5.700 -18.005 1.00 53.31 H new ATOM 0 HD3 LYS A 48 -29.736 5.843 -16.293 1.00 53.31 H new ATOM 0 HE2 LYS A 48 -29.112 8.057 -18.282 1.00 25.23 H new ATOM 0 HE3 LYS A 48 -30.653 7.940 -17.455 1.00 25.23 H new ATOM 0 HZ1 LYS A 48 -29.331 9.378 -16.177 1.00 42.00 H new ATOM 0 HZ2 LYS A 48 -29.324 7.911 -15.321 1.00 42.00 H new ATOM 0 HZ3 LYS A 48 -27.974 8.360 -16.248 1.00 42.00 H new ATOM 796 N ARG A 49 -25.468 2.820 -19.096 1.00 3.13 N ATOM 797 CA ARG A 49 -24.184 2.939 -19.775 1.00 63.24 C ATOM 798 C ARG A 49 -24.330 2.653 -21.268 1.00 31.25 C ATOM 799 O ARG A 49 -25.441 2.513 -21.778 1.00 53.00 O ATOM 800 CB ARG A 49 -23.165 1.977 -19.159 1.00 1.33 C ATOM 801 CG ARG A 49 -22.898 2.236 -17.686 1.00 14.34 C ATOM 802 CD ARG A 49 -22.127 3.530 -17.478 1.00 43.33 C ATOM 803 NE ARG A 49 -22.401 4.129 -16.175 1.00 60.40 N ATOM 804 CZ ARG A 49 -21.874 5.278 -15.767 1.00 64.33 C ATOM 805 NH1 ARG A 49 -21.048 5.949 -16.558 1.00 54.00 N ATOM 806 NH2 ARG A 49 -22.172 5.757 -14.567 1.00 11.31 N ATOM 0 H ARG A 49 -26.090 2.114 -19.489 1.00 3.13 H new ATOM 0 HA ARG A 49 -23.829 3.962 -19.650 1.00 63.24 H new ATOM 0 HB2 ARG A 49 -23.523 0.955 -19.281 1.00 1.33 H new ATOM 0 HB3 ARG A 49 -22.227 2.054 -19.709 1.00 1.33 H new ATOM 0 HG2 ARG A 49 -23.844 2.284 -17.147 1.00 14.34 H new ATOM 0 HG3 ARG A 49 -22.334 1.404 -17.266 1.00 14.34 H new ATOM 0 HD2 ARG A 49 -21.059 3.334 -17.569 1.00 43.33 H new ATOM 0 HD3 ARG A 49 -22.389 4.238 -18.264 1.00 43.33 H new ATOM 0 HE ARG A 49 -23.033 3.638 -15.543 1.00 60.40 H new ATOM 0 HH11 ARG A 49 -20.816 5.583 -17.481 1.00 54.00 H new ATOM 0 HH12 ARG A 49 -20.644 6.831 -16.243 1.00 54.00 H new ATOM 0 HH21 ARG A 49 -22.807 5.243 -13.956 1.00 11.31 H new ATOM 0 HH22 ARG A 49 -21.767 6.639 -14.255 1.00 11.31 H new ATOM 820 N LYS A 50 -23.200 2.569 -21.962 1.00 41.35 N ATOM 821 CA LYS A 50 -23.202 2.299 -23.395 1.00 5.15 C ATOM 822 C LYS A 50 -23.736 0.900 -23.685 1.00 5.22 C ATOM 823 O LYS A 50 -23.201 -0.093 -23.192 1.00 61.21 O ATOM 824 CB LYS A 50 -21.788 2.446 -23.964 1.00 32.55 C ATOM 825 CG LYS A 50 -20.771 1.526 -23.308 1.00 51.14 C ATOM 826 CD LYS A 50 -19.350 2.018 -23.531 1.00 14.33 C ATOM 827 CE LYS A 50 -18.331 0.935 -23.213 1.00 3.24 C ATOM 828 NZ LYS A 50 -18.125 0.012 -24.363 1.00 1.53 N ATOM 0 H LYS A 50 -22.272 2.684 -21.556 1.00 41.35 H new ATOM 0 HA LYS A 50 -23.858 3.025 -23.875 1.00 5.15 H new ATOM 0 HB2 LYS A 50 -21.813 2.242 -25.035 1.00 32.55 H new ATOM 0 HB3 LYS A 50 -21.462 3.479 -23.844 1.00 32.55 H new ATOM 0 HG2 LYS A 50 -20.972 1.463 -22.239 1.00 51.14 H new ATOM 0 HG3 LYS A 50 -20.876 0.519 -23.712 1.00 51.14 H new ATOM 0 HD2 LYS A 50 -19.232 2.337 -24.566 1.00 14.33 H new ATOM 0 HD3 LYS A 50 -19.163 2.891 -22.905 1.00 14.33 H new ATOM 0 HE2 LYS A 50 -17.381 1.398 -22.944 1.00 3.24 H new ATOM 0 HE3 LYS A 50 -18.665 0.366 -22.346 1.00 3.24 H new ATOM 0 HZ1 LYS A 50 -17.424 -0.712 -24.106 1.00 1.53 H new ATOM 0 HZ2 LYS A 50 -19.026 -0.449 -24.604 1.00 1.53 H new ATOM 0 HZ3 LYS A 50 -17.782 0.551 -25.184 1.00 1.53 H new ATOM 842 N TYR A 51 -24.790 0.830 -24.489 1.00 75.03 N ATOM 843 CA TYR A 51 -25.397 -0.447 -24.844 1.00 70.42 C ATOM 844 C TYR A 51 -24.835 -0.970 -26.163 1.00 31.20 C ATOM 845 O TYR A 51 -25.287 -0.584 -27.241 1.00 54.43 O ATOM 846 CB TYR A 51 -26.917 -0.304 -24.946 1.00 3.10 C ATOM 847 CG TYR A 51 -27.657 -0.830 -23.737 1.00 4.10 C ATOM 848 CD1 TYR A 51 -27.417 -2.110 -23.252 1.00 4.33 C ATOM 849 CD2 TYR A 51 -28.596 -0.045 -23.079 1.00 33.13 C ATOM 850 CE1 TYR A 51 -28.091 -2.593 -22.148 1.00 41.05 C ATOM 851 CE2 TYR A 51 -29.275 -0.520 -21.972 1.00 62.45 C ATOM 852 CZ TYR A 51 -29.019 -1.795 -21.512 1.00 22.51 C ATOM 853 OH TYR A 51 -29.693 -2.274 -20.411 1.00 3.21 O ATOM 0 H TYR A 51 -25.242 1.643 -24.908 1.00 75.03 H new ATOM 0 HA TYR A 51 -25.158 -1.164 -24.058 1.00 70.42 H new ATOM 0 HB2 TYR A 51 -27.166 0.748 -25.085 1.00 3.10 H new ATOM 0 HB3 TYR A 51 -27.265 -0.833 -25.833 1.00 3.10 H new ATOM 0 HD1 TYR A 51 -26.691 -2.738 -23.747 1.00 4.33 H new ATOM 0 HD2 TYR A 51 -28.799 0.953 -23.438 1.00 33.13 H new ATOM 0 HE1 TYR A 51 -27.893 -3.590 -21.784 1.00 41.05 H new ATOM 0 HE2 TYR A 51 -30.001 0.103 -21.471 1.00 62.45 H new ATOM 0 HH TYR A 51 -30.310 -1.588 -20.081 1.00 3.21 H new ATOM 863 N LEU A 52 -23.845 -1.851 -26.068 1.00 73.43 N ATOM 864 CA LEU A 52 -23.220 -2.429 -27.253 1.00 65.21 C ATOM 865 C LEU A 52 -24.083 -3.543 -27.835 1.00 41.04 C ATOM 866 O LEU A 52 -24.036 -4.684 -27.376 1.00 34.11 O ATOM 867 CB LEU A 52 -21.832 -2.971 -26.907 1.00 63.14 C ATOM 868 CG LEU A 52 -20.748 -2.766 -27.967 1.00 43.23 C ATOM 869 CD1 LEU A 52 -21.235 -3.244 -29.326 1.00 44.31 C ATOM 870 CD2 LEU A 52 -20.334 -1.303 -28.030 1.00 45.24 C ATOM 0 H LEU A 52 -23.458 -2.180 -25.184 1.00 73.43 H new ATOM 0 HA LEU A 52 -23.121 -1.643 -28.002 1.00 65.21 H new ATOM 0 HB2 LEU A 52 -21.501 -2.501 -25.981 1.00 63.14 H new ATOM 0 HB3 LEU A 52 -21.920 -4.039 -26.708 1.00 63.14 H new ATOM 0 HG LEU A 52 -19.876 -3.357 -27.688 1.00 43.23 H new ATOM 0 HD11 LEU A 52 -20.451 -3.091 -30.068 1.00 44.31 H new ATOM 0 HD12 LEU A 52 -21.481 -4.304 -29.272 1.00 44.31 H new ATOM 0 HD13 LEU A 52 -22.122 -2.680 -29.614 1.00 44.31 H new ATOM 0 HD21 LEU A 52 -19.562 -1.176 -28.789 1.00 45.24 H new ATOM 0 HD22 LEU A 52 -21.199 -0.691 -28.285 1.00 45.24 H new ATOM 0 HD23 LEU A 52 -19.944 -0.993 -27.061 1.00 45.24 H new ATOM 882 N VAL A 53 -24.869 -3.204 -28.854 1.00 21.42 N ATOM 883 CA VAL A 53 -25.739 -4.177 -29.502 1.00 53.42 C ATOM 884 C VAL A 53 -25.399 -4.319 -30.982 1.00 11.22 C ATOM 885 O VAL A 53 -24.976 -3.369 -31.641 1.00 24.34 O ATOM 886 CB VAL A 53 -27.222 -3.783 -29.363 1.00 43.42 C ATOM 887 CG1 VAL A 53 -27.835 -4.434 -28.133 1.00 32.13 C ATOM 888 CG2 VAL A 53 -27.367 -2.270 -29.304 1.00 34.20 C ATOM 0 H VAL A 53 -24.920 -2.264 -29.247 1.00 21.42 H new ATOM 0 HA VAL A 53 -25.575 -5.131 -29.001 1.00 53.42 H new ATOM 0 HB VAL A 53 -27.760 -4.143 -30.240 1.00 43.42 H new ATOM 0 HG11 VAL A 53 -28.883 -4.144 -28.052 1.00 32.13 H new ATOM 0 HG12 VAL A 53 -27.764 -5.518 -28.222 1.00 32.13 H new ATOM 0 HG13 VAL A 53 -27.298 -4.107 -27.243 1.00 32.13 H new ATOM 0 HG21 VAL A 53 -28.421 -2.009 -29.206 1.00 34.20 H new ATOM 0 HG22 VAL A 53 -26.816 -1.885 -28.446 1.00 34.20 H new ATOM 0 HG23 VAL A 53 -26.968 -1.830 -30.218 1.00 34.20 H new ATOM 898 N PRO A 54 -25.589 -5.534 -31.519 1.00 12.54 N ATOM 899 CA PRO A 54 -25.309 -5.829 -32.927 1.00 50.32 C ATOM 900 C PRO A 54 -26.298 -5.150 -33.869 1.00 11.11 C ATOM 901 O PRO A 54 -27.420 -4.825 -33.478 1.00 23.20 O ATOM 902 CB PRO A 54 -25.454 -7.350 -33.006 1.00 30.43 C ATOM 903 CG PRO A 54 -26.374 -7.702 -31.888 1.00 72.11 C ATOM 904 CD PRO A 54 -26.092 -6.711 -30.792 1.00 61.34 C ATOM 0 HA PRO A 54 -24.329 -5.464 -33.233 1.00 50.32 H new ATOM 0 HB2 PRO A 54 -25.863 -7.659 -33.968 1.00 30.43 H new ATOM 0 HB3 PRO A 54 -24.490 -7.846 -32.896 1.00 30.43 H new ATOM 0 HG2 PRO A 54 -27.415 -7.646 -32.207 1.00 72.11 H new ATOM 0 HG3 PRO A 54 -26.200 -8.722 -31.546 1.00 72.11 H new ATOM 0 HD2 PRO A 54 -26.990 -6.477 -30.221 1.00 61.34 H new ATOM 0 HD3 PRO A 54 -25.355 -7.092 -30.085 1.00 61.34 H new ATOM 912 N ALA A 55 -25.875 -4.939 -35.111 1.00 12.52 N ATOM 913 CA ALA A 55 -26.726 -4.300 -36.109 1.00 61.40 C ATOM 914 C ALA A 55 -27.911 -5.189 -36.468 1.00 52.55 C ATOM 915 O ALA A 55 -28.861 -4.743 -37.113 1.00 40.40 O ATOM 916 CB ALA A 55 -25.917 -3.967 -37.354 1.00 43.52 C ATOM 0 H ALA A 55 -24.949 -5.201 -35.450 1.00 12.52 H new ATOM 0 HA ALA A 55 -27.115 -3.375 -35.683 1.00 61.40 H new ATOM 0 HB1 ALA A 55 -26.563 -3.491 -38.091 1.00 43.52 H new ATOM 0 HB2 ALA A 55 -25.106 -3.288 -37.090 1.00 43.52 H new ATOM 0 HB3 ALA A 55 -25.502 -4.883 -37.774 1.00 43.52 H new ATOM 922 N ASP A 56 -27.850 -6.448 -36.049 1.00 54.42 N ATOM 923 CA ASP A 56 -28.921 -7.399 -36.326 1.00 2.41 C ATOM 924 C ASP A 56 -29.756 -7.658 -35.077 1.00 13.33 C ATOM 925 O ASP A 56 -30.594 -8.560 -35.052 1.00 64.31 O ATOM 926 CB ASP A 56 -28.340 -8.715 -36.847 1.00 43.41 C ATOM 927 CG ASP A 56 -29.415 -9.681 -37.305 1.00 45.33 C ATOM 928 OD1 ASP A 56 -30.274 -9.271 -38.113 1.00 74.24 O ATOM 929 OD2 ASP A 56 -29.397 -10.846 -36.856 1.00 21.13 O ATOM 0 H ASP A 56 -27.071 -6.834 -35.516 1.00 54.42 H new ATOM 0 HA ASP A 56 -29.568 -6.967 -37.090 1.00 2.41 H new ATOM 0 HB2 ASP A 56 -27.665 -8.507 -37.677 1.00 43.41 H new ATOM 0 HB3 ASP A 56 -27.746 -9.183 -36.062 1.00 43.41 H new ATOM 934 N LEU A 57 -29.521 -6.861 -34.039 1.00 55.44 N ATOM 935 CA LEU A 57 -30.252 -7.003 -32.785 1.00 31.00 C ATOM 936 C LEU A 57 -31.729 -6.673 -32.974 1.00 33.13 C ATOM 937 O LEU A 57 -32.079 -5.702 -33.645 1.00 0.23 O ATOM 938 CB LEU A 57 -29.648 -6.093 -31.714 1.00 22.32 C ATOM 939 CG LEU A 57 -29.894 -6.508 -30.263 1.00 63.22 C ATOM 940 CD1 LEU A 57 -31.345 -6.267 -29.877 1.00 63.54 C ATOM 941 CD2 LEU A 57 -29.520 -7.969 -30.056 1.00 63.43 C ATOM 0 H LEU A 57 -28.830 -6.110 -34.042 1.00 55.44 H new ATOM 0 HA LEU A 57 -30.169 -8.041 -32.461 1.00 31.00 H new ATOM 0 HB2 LEU A 57 -28.572 -6.038 -31.877 1.00 22.32 H new ATOM 0 HB3 LEU A 57 -30.044 -5.087 -31.855 1.00 22.32 H new ATOM 0 HG LEU A 57 -29.262 -5.897 -29.618 1.00 63.22 H new ATOM 0 HD11 LEU A 57 -31.501 -6.568 -28.841 1.00 63.54 H new ATOM 0 HD12 LEU A 57 -31.579 -5.208 -29.986 1.00 63.54 H new ATOM 0 HD13 LEU A 57 -31.996 -6.852 -30.527 1.00 63.54 H new ATOM 0 HD21 LEU A 57 -29.701 -8.247 -29.018 1.00 63.43 H new ATOM 0 HD22 LEU A 57 -30.125 -8.596 -30.711 1.00 63.43 H new ATOM 0 HD23 LEU A 57 -28.465 -8.111 -30.291 1.00 63.43 H new ATOM 953 N THR A 58 -32.593 -7.488 -32.375 1.00 14.51 N ATOM 954 CA THR A 58 -34.033 -7.283 -32.477 1.00 22.11 C ATOM 955 C THR A 58 -34.610 -6.777 -31.159 1.00 43.32 C ATOM 956 O THR A 58 -34.066 -7.046 -30.088 1.00 55.22 O ATOM 957 CB THR A 58 -34.758 -8.581 -32.876 1.00 41.33 C ATOM 958 OG1 THR A 58 -34.687 -9.532 -31.808 1.00 3.10 O ATOM 959 CG2 THR A 58 -34.145 -9.178 -34.135 1.00 74.31 C ATOM 0 H THR A 58 -32.320 -8.296 -31.815 1.00 14.51 H new ATOM 0 HA THR A 58 -34.192 -6.534 -33.253 1.00 22.11 H new ATOM 0 HB THR A 58 -35.802 -8.340 -33.077 1.00 41.33 H new ATOM 0 HG1 THR A 58 -35.152 -10.354 -32.070 1.00 3.10 H new ATOM 0 HG21 THR A 58 -34.674 -10.094 -34.398 1.00 74.31 H new ATOM 0 HG22 THR A 58 -34.228 -8.464 -34.954 1.00 74.31 H new ATOM 0 HG23 THR A 58 -33.094 -9.404 -33.956 1.00 74.31 H new ATOM 967 N VAL A 59 -35.714 -6.041 -31.246 1.00 73.43 N ATOM 968 CA VAL A 59 -36.367 -5.500 -30.060 1.00 43.25 C ATOM 969 C VAL A 59 -36.561 -6.576 -28.999 1.00 33.41 C ATOM 970 O VAL A 59 -36.226 -6.380 -27.832 1.00 11.50 O ATOM 971 CB VAL A 59 -37.734 -4.882 -30.405 1.00 55.44 C ATOM 972 CG1 VAL A 59 -38.423 -4.371 -29.149 1.00 22.11 C ATOM 973 CG2 VAL A 59 -37.572 -3.764 -31.425 1.00 2.14 C ATOM 0 H VAL A 59 -36.174 -5.806 -32.125 1.00 73.43 H new ATOM 0 HA VAL A 59 -35.713 -4.721 -29.667 1.00 43.25 H new ATOM 0 HB VAL A 59 -38.361 -5.657 -30.845 1.00 55.44 H new ATOM 0 HG11 VAL A 59 -39.388 -3.938 -29.414 1.00 22.11 H new ATOM 0 HG12 VAL A 59 -38.575 -5.198 -28.455 1.00 22.11 H new ATOM 0 HG13 VAL A 59 -37.801 -3.610 -28.677 1.00 22.11 H new ATOM 0 HG21 VAL A 59 -38.548 -3.339 -31.657 1.00 2.14 H new ATOM 0 HG22 VAL A 59 -36.926 -2.988 -31.014 1.00 2.14 H new ATOM 0 HG23 VAL A 59 -37.125 -4.164 -32.335 1.00 2.14 H new ATOM 983 N GLY A 60 -37.104 -7.716 -29.413 1.00 75.33 N ATOM 984 CA GLY A 60 -37.334 -8.809 -28.486 1.00 30.14 C ATOM 985 C GLY A 60 -36.059 -9.276 -27.813 1.00 44.15 C ATOM 986 O GLY A 60 -36.032 -9.492 -26.602 1.00 1.13 O ATOM 0 H GLY A 60 -37.389 -7.903 -30.374 1.00 75.33 H new ATOM 0 HA2 GLY A 60 -38.048 -8.492 -27.725 1.00 30.14 H new ATOM 0 HA3 GLY A 60 -37.787 -9.645 -29.020 1.00 30.14 H new ATOM 990 N GLN A 61 -34.999 -9.435 -28.600 1.00 40.54 N ATOM 991 CA GLN A 61 -33.716 -9.882 -28.074 1.00 24.23 C ATOM 992 C GLN A 61 -33.193 -8.911 -27.020 1.00 24.11 C ATOM 993 O GLN A 61 -32.675 -9.325 -25.982 1.00 42.35 O ATOM 994 CB GLN A 61 -32.697 -10.023 -29.205 1.00 70.21 C ATOM 995 CG GLN A 61 -31.785 -11.230 -29.056 1.00 61.22 C ATOM 996 CD GLN A 61 -30.973 -11.507 -30.306 1.00 41.13 C ATOM 997 OE1 GLN A 61 -29.751 -10.991 -30.344 1.00 53.32 O flip ATOM 998 NE2 GLN A 61 -31.440 -12.176 -31.228 1.00 64.31 N flip ATOM 0 H GLN A 61 -35.005 -9.260 -29.605 1.00 40.54 H new ATOM 0 HA GLN A 61 -33.863 -10.855 -27.605 1.00 24.23 H new ATOM 0 HB2 GLN A 61 -33.228 -10.094 -30.154 1.00 70.21 H new ATOM 0 HB3 GLN A 61 -32.087 -9.121 -29.248 1.00 70.21 H new ATOM 0 HG2 GLN A 61 -31.109 -11.068 -28.217 1.00 61.22 H new ATOM 0 HG3 GLN A 61 -32.386 -12.107 -28.816 1.00 61.22 H new ATOM 0 HE21 GLN A 61 -32.385 -12.554 -31.156 1.00 64.31 H new ATOM 0 HE22 GLN A 61 -30.882 -12.353 -32.063 1.00 64.31 H new ATOM 1007 N PHE A 62 -33.330 -7.618 -27.293 1.00 71.32 N ATOM 1008 CA PHE A 62 -32.869 -6.588 -26.370 1.00 61.21 C ATOM 1009 C PHE A 62 -33.616 -6.675 -25.042 1.00 21.24 C ATOM 1010 O PHE A 62 -33.008 -6.635 -23.971 1.00 72.52 O ATOM 1011 CB PHE A 62 -33.059 -5.199 -26.984 1.00 73.14 C ATOM 1012 CG PHE A 62 -31.954 -4.240 -26.651 1.00 23.22 C ATOM 1013 CD1 PHE A 62 -31.490 -4.121 -25.351 1.00 13.24 C ATOM 1014 CD2 PHE A 62 -31.378 -3.456 -27.637 1.00 44.12 C ATOM 1015 CE1 PHE A 62 -30.473 -3.238 -25.040 1.00 23.15 C ATOM 1016 CE2 PHE A 62 -30.360 -2.573 -27.334 1.00 2.14 C ATOM 1017 CZ PHE A 62 -29.907 -2.463 -26.032 1.00 42.34 C ATOM 0 H PHE A 62 -33.757 -7.258 -28.147 1.00 71.32 H new ATOM 0 HA PHE A 62 -31.808 -6.752 -26.183 1.00 61.21 H new ATOM 0 HB2 PHE A 62 -33.131 -5.296 -28.067 1.00 73.14 H new ATOM 0 HB3 PHE A 62 -34.006 -4.784 -26.638 1.00 73.14 H new ATOM 0 HD1 PHE A 62 -31.928 -4.726 -24.571 1.00 13.24 H new ATOM 0 HD2 PHE A 62 -31.729 -3.536 -28.655 1.00 44.12 H new ATOM 0 HE1 PHE A 62 -30.122 -3.155 -24.022 1.00 23.15 H new ATOM 0 HE2 PHE A 62 -29.918 -1.969 -28.113 1.00 2.14 H new ATOM 0 HZ PHE A 62 -29.112 -1.772 -25.792 1.00 42.34 H new ATOM 1027 N VAL A 63 -34.937 -6.794 -25.119 1.00 0.23 N ATOM 1028 CA VAL A 63 -35.768 -6.888 -23.925 1.00 10.41 C ATOM 1029 C VAL A 63 -35.459 -8.156 -23.138 1.00 20.23 C ATOM 1030 O VAL A 63 -35.514 -8.166 -21.908 1.00 62.32 O ATOM 1031 CB VAL A 63 -37.267 -6.869 -24.280 1.00 64.50 C ATOM 1032 CG1 VAL A 63 -38.115 -6.962 -23.021 1.00 13.32 C ATOM 1033 CG2 VAL A 63 -37.610 -5.619 -25.074 1.00 71.15 C ATOM 0 H VAL A 63 -35.455 -6.828 -25.997 1.00 0.23 H new ATOM 0 HA VAL A 63 -35.537 -6.018 -23.311 1.00 10.41 H new ATOM 0 HB VAL A 63 -37.487 -7.737 -24.901 1.00 64.50 H new ATOM 0 HG11 VAL A 63 -39.171 -6.947 -23.292 1.00 13.32 H new ATOM 0 HG12 VAL A 63 -37.888 -7.890 -22.497 1.00 13.32 H new ATOM 0 HG13 VAL A 63 -37.895 -6.115 -22.371 1.00 13.32 H new ATOM 0 HG21 VAL A 63 -38.673 -5.622 -25.316 1.00 71.15 H new ATOM 0 HG22 VAL A 63 -37.376 -4.735 -24.481 1.00 71.15 H new ATOM 0 HG23 VAL A 63 -37.028 -5.602 -25.995 1.00 71.15 H new ATOM 1043 N TYR A 64 -35.133 -9.226 -23.856 1.00 11.44 N ATOM 1044 CA TYR A 64 -34.816 -10.502 -23.225 1.00 1.54 C ATOM 1045 C TYR A 64 -33.650 -10.355 -22.254 1.00 3.05 C ATOM 1046 O TYR A 64 -33.699 -10.845 -21.126 1.00 1.11 O ATOM 1047 CB TYR A 64 -34.481 -11.550 -24.288 1.00 32.42 C ATOM 1048 CG TYR A 64 -35.675 -12.362 -24.735 1.00 73.41 C ATOM 1049 CD1 TYR A 64 -36.894 -11.752 -25.003 1.00 14.14 C ATOM 1050 CD2 TYR A 64 -35.585 -13.740 -24.890 1.00 24.42 C ATOM 1051 CE1 TYR A 64 -37.988 -12.491 -25.410 1.00 11.41 C ATOM 1052 CE2 TYR A 64 -36.672 -14.487 -25.299 1.00 13.30 C ATOM 1053 CZ TYR A 64 -37.873 -13.857 -25.557 1.00 65.54 C ATOM 1054 OH TYR A 64 -38.959 -14.596 -25.965 1.00 61.52 O ATOM 0 H TYR A 64 -35.081 -9.235 -24.875 1.00 11.44 H new ATOM 0 HA TYR A 64 -35.692 -10.829 -22.665 1.00 1.54 H new ATOM 0 HB2 TYR A 64 -34.047 -11.051 -25.154 1.00 32.42 H new ATOM 0 HB3 TYR A 64 -33.720 -12.224 -23.894 1.00 32.42 H new ATOM 0 HD1 TYR A 64 -36.988 -10.682 -24.891 1.00 14.14 H new ATOM 0 HD2 TYR A 64 -34.647 -14.236 -24.687 1.00 24.42 H new ATOM 0 HE1 TYR A 64 -38.929 -12.001 -25.612 1.00 11.41 H new ATOM 0 HE2 TYR A 64 -36.583 -15.557 -25.416 1.00 13.30 H new ATOM 0 HH TYR A 64 -38.709 -15.542 -26.019 1.00 61.52 H new ATOM 1064 N VAL A 65 -32.598 -9.675 -22.700 1.00 51.53 N ATOM 1065 CA VAL A 65 -31.418 -9.460 -21.872 1.00 24.33 C ATOM 1066 C VAL A 65 -31.660 -8.359 -20.846 1.00 2.43 C ATOM 1067 O VAL A 65 -31.128 -8.403 -19.735 1.00 53.42 O ATOM 1068 CB VAL A 65 -30.191 -9.089 -22.726 1.00 53.40 C ATOM 1069 CG1 VAL A 65 -29.772 -10.264 -23.598 1.00 55.11 C ATOM 1070 CG2 VAL A 65 -30.486 -7.862 -23.577 1.00 31.52 C ATOM 0 H VAL A 65 -32.540 -9.263 -23.631 1.00 51.53 H new ATOM 0 HA VAL A 65 -31.220 -10.399 -21.355 1.00 24.33 H new ATOM 0 HB VAL A 65 -29.364 -8.850 -22.058 1.00 53.40 H new ATOM 0 HG11 VAL A 65 -28.904 -9.983 -24.194 1.00 55.11 H new ATOM 0 HG12 VAL A 65 -29.518 -11.114 -22.965 1.00 55.11 H new ATOM 0 HG13 VAL A 65 -30.594 -10.537 -24.260 1.00 55.11 H new ATOM 0 HG21 VAL A 65 -29.608 -7.614 -24.174 1.00 31.52 H new ATOM 0 HG22 VAL A 65 -31.327 -8.071 -24.238 1.00 31.52 H new ATOM 0 HG23 VAL A 65 -30.734 -7.021 -22.929 1.00 31.52 H new ATOM 1080 N ILE A 66 -32.465 -7.371 -21.224 1.00 21.31 N ATOM 1081 CA ILE A 66 -32.779 -6.259 -20.336 1.00 22.04 C ATOM 1082 C ILE A 66 -33.253 -6.759 -18.976 1.00 13.11 C ATOM 1083 O ILE A 66 -32.684 -6.410 -17.941 1.00 54.13 O ATOM 1084 CB ILE A 66 -33.859 -5.343 -20.940 1.00 74.20 C ATOM 1085 CG1 ILE A 66 -33.223 -4.324 -21.887 1.00 53.41 C ATOM 1086 CG2 ILE A 66 -34.634 -4.639 -19.837 1.00 1.34 C ATOM 1087 CD1 ILE A 66 -32.344 -3.313 -21.185 1.00 22.40 C ATOM 0 H ILE A 66 -32.911 -7.318 -22.140 1.00 21.31 H new ATOM 0 HA ILE A 66 -31.860 -5.687 -20.210 1.00 22.04 H new ATOM 0 HB ILE A 66 -34.556 -5.956 -21.512 1.00 74.20 H new ATOM 0 HG12 ILE A 66 -32.630 -4.854 -22.632 1.00 53.41 H new ATOM 0 HG13 ILE A 66 -34.012 -3.797 -22.424 1.00 53.41 H new ATOM 0 HG21 ILE A 66 -35.394 -3.995 -20.280 1.00 1.34 H new ATOM 0 HG22 ILE A 66 -35.114 -5.381 -19.199 1.00 1.34 H new ATOM 0 HG23 ILE A 66 -33.950 -4.036 -19.240 1.00 1.34 H new ATOM 0 HD11 ILE A 66 -31.927 -2.622 -21.918 1.00 22.40 H new ATOM 0 HD12 ILE A 66 -32.937 -2.757 -20.459 1.00 22.40 H new ATOM 0 HD13 ILE A 66 -31.534 -3.830 -20.671 1.00 22.40 H new ATOM 1099 N ARG A 67 -34.299 -7.580 -18.985 1.00 42.21 N ATOM 1100 CA ARG A 67 -34.851 -8.128 -17.752 1.00 62.23 C ATOM 1101 C ARG A 67 -33.763 -8.805 -16.923 1.00 63.13 C ATOM 1102 O ARG A 67 -33.783 -8.756 -15.693 1.00 40.05 O ATOM 1103 CB ARG A 67 -35.963 -9.129 -18.068 1.00 31.41 C ATOM 1104 CG ARG A 67 -35.546 -10.215 -19.047 1.00 55.33 C ATOM 1105 CD ARG A 67 -36.611 -11.294 -19.169 1.00 51.14 C ATOM 1106 NE ARG A 67 -37.711 -10.882 -20.037 1.00 2.01 N ATOM 1107 CZ ARG A 67 -38.620 -11.721 -20.521 1.00 40.01 C ATOM 1108 NH1 ARG A 67 -38.559 -13.012 -20.224 1.00 21.44 N ATOM 1109 NH2 ARG A 67 -39.592 -11.270 -21.304 1.00 23.52 N ATOM 0 H ARG A 67 -34.781 -7.880 -19.833 1.00 42.21 H new ATOM 0 HA ARG A 67 -35.266 -7.304 -17.171 1.00 62.23 H new ATOM 0 HB2 ARG A 67 -36.294 -9.596 -17.140 1.00 31.41 H new ATOM 0 HB3 ARG A 67 -36.818 -8.592 -18.478 1.00 31.41 H new ATOM 0 HG2 ARG A 67 -35.361 -9.772 -20.026 1.00 55.33 H new ATOM 0 HG3 ARG A 67 -34.609 -10.663 -18.717 1.00 55.33 H new ATOM 0 HD2 ARG A 67 -36.160 -12.205 -19.563 1.00 51.14 H new ATOM 0 HD3 ARG A 67 -37.000 -11.533 -18.179 1.00 51.14 H new ATOM 0 HE ARG A 67 -37.785 -9.895 -20.285 1.00 2.01 H new ATOM 0 HH11 ARG A 67 -37.813 -13.362 -19.623 1.00 21.44 H new ATOM 0 HH12 ARG A 67 -39.258 -13.655 -20.597 1.00 21.44 H new ATOM 0 HH21 ARG A 67 -39.642 -10.278 -21.535 1.00 23.52 H new ATOM 0 HH22 ARG A 67 -40.289 -11.916 -21.675 1.00 23.52 H new ATOM 1123 N LYS A 68 -32.814 -9.437 -17.606 1.00 61.21 N ATOM 1124 CA LYS A 68 -31.717 -10.123 -16.935 1.00 21.11 C ATOM 1125 C LYS A 68 -30.691 -9.124 -16.409 1.00 23.31 C ATOM 1126 O LYS A 68 -30.016 -9.381 -15.411 1.00 64.42 O ATOM 1127 CB LYS A 68 -31.041 -11.107 -17.892 1.00 73.52 C ATOM 1128 CG LYS A 68 -29.996 -11.985 -17.226 1.00 32.54 C ATOM 1129 CD LYS A 68 -30.627 -12.952 -16.238 1.00 41.13 C ATOM 1130 CE LYS A 68 -29.655 -14.050 -15.833 1.00 44.54 C ATOM 1131 NZ LYS A 68 -28.364 -13.493 -15.340 1.00 43.42 N ATOM 0 H LYS A 68 -32.783 -9.488 -18.624 1.00 61.21 H new ATOM 0 HA LYS A 68 -32.130 -10.673 -16.089 1.00 21.11 H new ATOM 0 HB2 LYS A 68 -31.803 -11.743 -18.343 1.00 73.52 H new ATOM 0 HB3 LYS A 68 -30.571 -10.548 -18.702 1.00 73.52 H new ATOM 0 HG2 LYS A 68 -29.451 -12.544 -17.987 1.00 32.54 H new ATOM 0 HG3 LYS A 68 -29.269 -11.358 -16.709 1.00 32.54 H new ATOM 0 HD2 LYS A 68 -30.952 -12.407 -15.352 1.00 41.13 H new ATOM 0 HD3 LYS A 68 -31.517 -13.398 -16.682 1.00 41.13 H new ATOM 0 HE2 LYS A 68 -30.106 -14.666 -15.055 1.00 44.54 H new ATOM 0 HE3 LYS A 68 -29.467 -14.702 -16.686 1.00 44.54 H new ATOM 0 HZ1 LYS A 68 -27.796 -14.255 -14.918 1.00 43.42 H new ATOM 0 HZ2 LYS A 68 -27.842 -13.071 -16.134 1.00 43.42 H new ATOM 0 HZ3 LYS A 68 -28.552 -12.763 -14.623 1.00 43.42 H new ATOM 1145 N ARG A 69 -30.580 -7.986 -17.085 1.00 22.24 N ATOM 1146 CA ARG A 69 -29.636 -6.949 -16.684 1.00 50.34 C ATOM 1147 C ARG A 69 -30.125 -6.220 -15.436 1.00 40.11 C ATOM 1148 O ARG A 69 -29.354 -5.969 -14.510 1.00 34.01 O ATOM 1149 CB ARG A 69 -29.431 -5.949 -17.824 1.00 40.51 C ATOM 1150 CG ARG A 69 -28.155 -5.133 -17.697 1.00 53.23 C ATOM 1151 CD ARG A 69 -26.957 -5.880 -18.262 1.00 74.33 C ATOM 1152 NE ARG A 69 -25.896 -4.971 -18.688 1.00 55.23 N ATOM 1153 CZ ARG A 69 -24.869 -5.344 -19.443 1.00 72.02 C ATOM 1154 NH1 ARG A 69 -24.765 -6.601 -19.853 1.00 51.40 N ATOM 1155 NH2 ARG A 69 -23.944 -4.458 -19.791 1.00 71.51 N ATOM 0 H ARG A 69 -31.131 -7.758 -17.912 1.00 22.24 H new ATOM 0 HA ARG A 69 -28.685 -7.429 -16.454 1.00 50.34 H new ATOM 0 HB2 ARG A 69 -29.414 -6.489 -18.771 1.00 40.51 H new ATOM 0 HB3 ARG A 69 -30.284 -5.271 -17.859 1.00 40.51 H new ATOM 0 HG2 ARG A 69 -28.274 -4.185 -18.222 1.00 53.23 H new ATOM 0 HG3 ARG A 69 -27.976 -4.897 -16.648 1.00 53.23 H new ATOM 0 HD2 ARG A 69 -26.567 -6.564 -17.508 1.00 74.33 H new ATOM 0 HD3 ARG A 69 -27.275 -6.488 -19.109 1.00 74.33 H new ATOM 0 HE ARG A 69 -25.947 -3.997 -18.389 1.00 55.23 H new ATOM 0 HH11 ARG A 69 -25.475 -7.284 -19.589 1.00 51.40 H new ATOM 0 HH12 ARG A 69 -23.975 -6.885 -20.433 1.00 51.40 H new ATOM 0 HH21 ARG A 69 -24.022 -3.490 -19.479 1.00 71.51 H new ATOM 0 HH22 ARG A 69 -23.155 -4.745 -20.371 1.00 71.51 H new ATOM 1169 N ILE A 70 -31.411 -5.884 -15.420 1.00 3.45 N ATOM 1170 CA ILE A 70 -32.003 -5.185 -14.286 1.00 22.25 C ATOM 1171 C ILE A 70 -32.263 -6.141 -13.127 1.00 13.34 C ATOM 1172 O ILE A 70 -32.705 -5.727 -12.055 1.00 72.12 O ATOM 1173 CB ILE A 70 -33.323 -4.497 -14.676 1.00 10.53 C ATOM 1174 CG1 ILE A 70 -33.160 -3.743 -15.997 1.00 33.24 C ATOM 1175 CG2 ILE A 70 -33.774 -3.550 -13.572 1.00 64.45 C ATOM 1176 CD1 ILE A 70 -34.420 -3.037 -16.450 1.00 22.54 C ATOM 0 H ILE A 70 -32.062 -6.084 -16.179 1.00 3.45 H new ATOM 0 HA ILE A 70 -31.286 -4.425 -13.974 1.00 22.25 H new ATOM 0 HB ILE A 70 -34.088 -5.262 -14.808 1.00 10.53 H new ATOM 0 HG12 ILE A 70 -32.360 -3.010 -15.891 1.00 33.24 H new ATOM 0 HG13 ILE A 70 -32.848 -4.445 -16.771 1.00 33.24 H new ATOM 0 HG21 ILE A 70 -34.709 -3.071 -13.863 1.00 64.45 H new ATOM 0 HG22 ILE A 70 -33.925 -4.112 -12.650 1.00 64.45 H new ATOM 0 HG23 ILE A 70 -33.011 -2.788 -13.412 1.00 64.45 H new ATOM 0 HD11 ILE A 70 -34.231 -2.524 -17.393 1.00 22.54 H new ATOM 0 HD12 ILE A 70 -35.217 -3.768 -16.588 1.00 22.54 H new ATOM 0 HD13 ILE A 70 -34.721 -2.310 -15.695 1.00 22.54 H new ATOM 1188 N MET A 71 -31.985 -7.421 -13.349 1.00 21.41 N ATOM 1189 CA MET A 71 -32.187 -8.437 -12.321 1.00 4.31 C ATOM 1190 C MET A 71 -33.624 -8.416 -11.811 1.00 41.33 C ATOM 1191 O MET A 71 -33.897 -8.813 -10.678 1.00 51.01 O ATOM 1192 CB MET A 71 -31.218 -8.214 -11.158 1.00 24.35 C ATOM 1193 CG MET A 71 -29.819 -7.818 -11.599 1.00 44.34 C ATOM 1194 SD MET A 71 -28.545 -8.357 -10.441 1.00 74.44 S ATOM 1195 CE MET A 71 -28.902 -7.308 -9.034 1.00 72.04 C ATOM 0 H MET A 71 -31.619 -7.780 -14.231 1.00 21.41 H new ATOM 0 HA MET A 71 -31.992 -9.413 -12.766 1.00 4.31 H new ATOM 0 HB2 MET A 71 -31.618 -7.437 -10.507 1.00 24.35 H new ATOM 0 HB3 MET A 71 -31.158 -9.127 -10.566 1.00 24.35 H new ATOM 0 HG2 MET A 71 -29.617 -8.247 -12.581 1.00 44.34 H new ATOM 0 HG3 MET A 71 -29.770 -6.735 -11.708 1.00 44.34 H new ATOM 0 HE1 MET A 71 -28.196 -7.523 -8.232 1.00 72.04 H new ATOM 0 HE2 MET A 71 -28.810 -6.262 -9.327 1.00 72.04 H new ATOM 0 HE3 MET A 71 -29.917 -7.499 -8.686 1.00 72.04 H new ATOM 1205 N LEU A 72 -34.539 -7.951 -12.654 1.00 51.10 N ATOM 1206 CA LEU A 72 -35.950 -7.879 -12.289 1.00 25.03 C ATOM 1207 C LEU A 72 -36.579 -9.267 -12.271 1.00 73.30 C ATOM 1208 O LEU A 72 -36.336 -10.098 -13.147 1.00 13.25 O ATOM 1209 CB LEU A 72 -36.705 -6.977 -13.267 1.00 4.20 C ATOM 1210 CG LEU A 72 -38.227 -6.959 -13.126 1.00 33.14 C ATOM 1211 CD1 LEU A 72 -38.687 -5.668 -12.467 1.00 5.44 C ATOM 1212 CD2 LEU A 72 -38.891 -7.133 -14.484 1.00 13.11 C ATOM 0 H LEU A 72 -34.330 -7.618 -13.595 1.00 51.10 H new ATOM 0 HA LEU A 72 -36.019 -7.456 -11.287 1.00 25.03 H new ATOM 0 HB2 LEU A 72 -36.337 -5.958 -13.148 1.00 4.20 H new ATOM 0 HB3 LEU A 72 -36.458 -7.288 -14.282 1.00 4.20 H new ATOM 0 HG LEU A 72 -38.523 -7.793 -12.490 1.00 33.14 H new ATOM 0 HD11 LEU A 72 -39.773 -5.673 -12.375 1.00 5.44 H new ATOM 0 HD12 LEU A 72 -38.239 -5.586 -11.477 1.00 5.44 H new ATOM 0 HD13 LEU A 72 -38.379 -4.818 -13.076 1.00 5.44 H new ATOM 0 HD21 LEU A 72 -39.974 -7.118 -14.364 1.00 13.11 H new ATOM 0 HD22 LEU A 72 -38.588 -6.320 -15.144 1.00 13.11 H new ATOM 0 HD23 LEU A 72 -38.587 -8.086 -14.918 1.00 13.11 H new ATOM 1224 N PRO A 73 -37.410 -9.527 -11.250 1.00 74.44 N ATOM 1225 CA PRO A 73 -38.095 -10.815 -11.094 1.00 65.11 C ATOM 1226 C PRO A 73 -39.170 -11.031 -12.153 1.00 50.01 C ATOM 1227 O PRO A 73 -39.591 -10.103 -12.844 1.00 1.00 O ATOM 1228 CB PRO A 73 -38.726 -10.715 -9.703 1.00 44.11 C ATOM 1229 CG PRO A 73 -38.896 -9.253 -9.469 1.00 52.22 C ATOM 1230 CD PRO A 73 -37.745 -8.584 -10.170 1.00 35.13 C ATOM 0 HA PRO A 73 -37.412 -11.657 -11.207 1.00 65.11 H new ATOM 0 HB2 PRO A 73 -39.683 -11.236 -9.664 1.00 44.11 H new ATOM 0 HB3 PRO A 73 -38.086 -11.166 -8.944 1.00 44.11 H new ATOM 0 HG2 PRO A 73 -39.850 -8.903 -9.864 1.00 52.22 H new ATOM 0 HG3 PRO A 73 -38.889 -9.025 -8.403 1.00 52.22 H new ATOM 0 HD2 PRO A 73 -38.027 -7.607 -10.562 1.00 35.13 H new ATOM 0 HD3 PRO A 73 -36.902 -8.427 -9.498 1.00 35.13 H new ATOM 1238 N PRO A 74 -39.627 -12.285 -12.285 1.00 64.20 N ATOM 1239 CA PRO A 74 -40.660 -12.652 -13.258 1.00 73.21 C ATOM 1240 C PRO A 74 -42.028 -12.088 -12.891 1.00 52.15 C ATOM 1241 O PRO A 74 -42.903 -11.953 -13.746 1.00 61.52 O ATOM 1242 CB PRO A 74 -40.679 -14.182 -13.196 1.00 4.02 C ATOM 1243 CG PRO A 74 -40.171 -14.511 -11.834 1.00 51.03 C ATOM 1244 CD PRO A 74 -39.170 -13.442 -11.495 1.00 11.52 C ATOM 0 HA PRO A 74 -40.445 -12.254 -14.250 1.00 73.21 H new ATOM 0 HB2 PRO A 74 -41.685 -14.572 -13.348 1.00 4.02 H new ATOM 0 HB3 PRO A 74 -40.048 -14.618 -13.970 1.00 4.02 H new ATOM 0 HG2 PRO A 74 -40.984 -14.528 -11.108 1.00 51.03 H new ATOM 0 HG3 PRO A 74 -39.708 -15.498 -11.818 1.00 51.03 H new ATOM 0 HD2 PRO A 74 -39.163 -13.222 -10.427 1.00 11.52 H new ATOM 0 HD3 PRO A 74 -38.157 -13.739 -11.766 1.00 11.52 H new ATOM 1252 N GLU A 75 -42.206 -11.760 -11.615 1.00 22.21 N ATOM 1253 CA GLU A 75 -43.469 -11.210 -11.136 1.00 42.04 C ATOM 1254 C GLU A 75 -43.901 -10.020 -11.988 1.00 74.14 C ATOM 1255 O GLU A 75 -45.094 -9.765 -12.159 1.00 64.22 O ATOM 1256 CB GLU A 75 -43.342 -10.784 -9.673 1.00 12.14 C ATOM 1257 CG GLU A 75 -43.006 -11.928 -8.732 1.00 31.12 C ATOM 1258 CD GLU A 75 -42.877 -11.479 -7.289 1.00 60.24 C ATOM 1259 OE1 GLU A 75 -41.759 -11.098 -6.884 1.00 62.31 O ATOM 1260 OE2 GLU A 75 -43.894 -11.509 -6.566 1.00 75.25 O ATOM 0 H GLU A 75 -41.492 -11.866 -10.895 1.00 22.21 H new ATOM 0 HA GLU A 75 -44.229 -11.987 -11.216 1.00 42.04 H new ATOM 0 HB2 GLU A 75 -42.569 -10.019 -9.592 1.00 12.14 H new ATOM 0 HB3 GLU A 75 -44.278 -10.326 -9.354 1.00 12.14 H new ATOM 0 HG2 GLU A 75 -43.781 -12.691 -8.803 1.00 31.12 H new ATOM 0 HG3 GLU A 75 -42.072 -12.392 -9.049 1.00 31.12 H new ATOM 1267 N LYS A 76 -42.925 -9.295 -12.522 1.00 24.22 N ATOM 1268 CA LYS A 76 -43.202 -8.132 -13.356 1.00 41.13 C ATOM 1269 C LYS A 76 -42.507 -8.256 -14.709 1.00 12.10 C ATOM 1270 O LYS A 76 -41.800 -9.229 -14.968 1.00 35.22 O ATOM 1271 CB LYS A 76 -42.746 -6.853 -12.653 1.00 14.55 C ATOM 1272 CG LYS A 76 -43.348 -6.671 -11.270 1.00 24.44 C ATOM 1273 CD LYS A 76 -43.389 -5.207 -10.867 1.00 20.34 C ATOM 1274 CE LYS A 76 -44.139 -5.011 -9.558 1.00 0.31 C ATOM 1275 NZ LYS A 76 -43.667 -3.803 -8.824 1.00 51.42 N ATOM 0 H LYS A 76 -41.933 -9.493 -12.392 1.00 24.22 H new ATOM 0 HA LYS A 76 -44.278 -8.083 -13.522 1.00 41.13 H new ATOM 0 HB2 LYS A 76 -41.659 -6.862 -12.569 1.00 14.55 H new ATOM 0 HB3 LYS A 76 -43.010 -5.995 -13.271 1.00 14.55 H new ATOM 0 HG2 LYS A 76 -44.358 -7.082 -11.255 1.00 24.44 H new ATOM 0 HG3 LYS A 76 -42.764 -7.233 -10.541 1.00 24.44 H new ATOM 0 HD2 LYS A 76 -42.372 -4.828 -10.766 1.00 20.34 H new ATOM 0 HD3 LYS A 76 -43.869 -4.625 -11.654 1.00 20.34 H new ATOM 0 HE2 LYS A 76 -45.206 -4.919 -9.761 1.00 0.31 H new ATOM 0 HE3 LYS A 76 -44.009 -5.892 -8.929 1.00 0.31 H new ATOM 0 HZ1 LYS A 76 -44.202 -3.704 -7.938 1.00 51.42 H new ATOM 0 HZ2 LYS A 76 -42.655 -3.902 -8.608 1.00 51.42 H new ATOM 0 HZ3 LYS A 76 -43.814 -2.959 -9.413 1.00 51.42 H new ATOM 1289 N ALA A 77 -42.713 -7.262 -15.567 1.00 64.34 N ATOM 1290 CA ALA A 77 -42.104 -7.258 -16.892 1.00 24.32 C ATOM 1291 C ALA A 77 -41.597 -5.867 -17.259 1.00 30.54 C ATOM 1292 O ALA A 77 -42.060 -4.865 -16.716 1.00 1.31 O ATOM 1293 CB ALA A 77 -43.099 -7.751 -17.932 1.00 3.33 C ATOM 0 H ALA A 77 -43.297 -6.449 -15.368 1.00 64.34 H new ATOM 0 HA ALA A 77 -41.249 -7.934 -16.874 1.00 24.32 H new ATOM 0 HB1 ALA A 77 -42.631 -7.743 -18.916 1.00 3.33 H new ATOM 0 HB2 ALA A 77 -43.409 -8.767 -17.686 1.00 3.33 H new ATOM 0 HB3 ALA A 77 -43.971 -7.097 -17.940 1.00 3.33 H new ATOM 1299 N ILE A 78 -40.642 -5.816 -18.182 1.00 51.40 N ATOM 1300 CA ILE A 78 -40.073 -4.547 -18.621 1.00 21.23 C ATOM 1301 C ILE A 78 -39.778 -4.566 -20.117 1.00 14.41 C ATOM 1302 O ILE A 78 -39.461 -5.611 -20.685 1.00 53.43 O ATOM 1303 CB ILE A 78 -38.777 -4.218 -17.858 1.00 23.23 C ATOM 1304 CG1 ILE A 78 -39.021 -4.269 -16.348 1.00 64.11 C ATOM 1305 CG2 ILE A 78 -38.252 -2.851 -18.270 1.00 12.43 C ATOM 1306 CD1 ILE A 78 -37.756 -4.144 -15.528 1.00 5.03 C ATOM 0 H ILE A 78 -40.246 -6.637 -18.640 1.00 51.40 H new ATOM 0 HA ILE A 78 -40.815 -3.777 -18.409 1.00 21.23 H new ATOM 0 HB ILE A 78 -38.025 -4.965 -18.110 1.00 23.23 H new ATOM 0 HG12 ILE A 78 -39.705 -3.467 -16.071 1.00 64.11 H new ATOM 0 HG13 ILE A 78 -39.515 -5.208 -16.099 1.00 64.11 H new ATOM 0 HG21 ILE A 78 -37.335 -2.633 -17.722 1.00 12.43 H new ATOM 0 HG22 ILE A 78 -38.044 -2.848 -19.340 1.00 12.43 H new ATOM 0 HG23 ILE A 78 -39.000 -2.091 -18.044 1.00 12.43 H new ATOM 0 HD11 ILE A 78 -38.004 -4.188 -14.468 1.00 5.03 H new ATOM 0 HD12 ILE A 78 -37.079 -4.961 -15.777 1.00 5.03 H new ATOM 0 HD13 ILE A 78 -37.272 -3.192 -15.748 1.00 5.03 H new ATOM 1318 N PHE A 79 -39.885 -3.402 -20.750 1.00 54.31 N ATOM 1319 CA PHE A 79 -39.630 -3.283 -22.180 1.00 21.20 C ATOM 1320 C PHE A 79 -39.053 -1.911 -22.518 1.00 13.24 C ATOM 1321 O PHE A 79 -39.474 -0.896 -21.963 1.00 23.01 O ATOM 1322 CB PHE A 79 -40.918 -3.516 -22.971 1.00 54.41 C ATOM 1323 CG PHE A 79 -42.150 -3.014 -22.272 1.00 3.30 C ATOM 1324 CD1 PHE A 79 -42.848 -3.832 -21.398 1.00 52.24 C ATOM 1325 CD2 PHE A 79 -42.609 -1.725 -22.489 1.00 3.11 C ATOM 1326 CE1 PHE A 79 -43.981 -3.373 -20.752 1.00 72.04 C ATOM 1327 CE2 PHE A 79 -43.741 -1.261 -21.846 1.00 11.41 C ATOM 1328 CZ PHE A 79 -44.429 -2.087 -20.978 1.00 4.44 C ATOM 0 H PHE A 79 -40.147 -2.528 -20.294 1.00 54.31 H new ATOM 0 HA PHE A 79 -38.899 -4.043 -22.457 1.00 21.20 H new ATOM 0 HB2 PHE A 79 -40.834 -3.024 -23.940 1.00 54.41 H new ATOM 0 HB3 PHE A 79 -41.029 -4.583 -23.164 1.00 54.41 H new ATOM 0 HD1 PHE A 79 -42.503 -4.840 -21.219 1.00 52.24 H new ATOM 0 HD2 PHE A 79 -42.076 -1.076 -23.168 1.00 3.11 H new ATOM 0 HE1 PHE A 79 -44.515 -4.020 -20.071 1.00 72.04 H new ATOM 0 HE2 PHE A 79 -44.088 -0.253 -22.022 1.00 11.41 H new ATOM 0 HZ PHE A 79 -45.316 -1.727 -20.477 1.00 4.44 H new ATOM 1338 N ILE A 80 -38.087 -1.890 -23.430 1.00 70.32 N ATOM 1339 CA ILE A 80 -37.453 -0.644 -23.843 1.00 12.14 C ATOM 1340 C ILE A 80 -38.195 -0.011 -25.014 1.00 51.41 C ATOM 1341 O ILE A 80 -38.422 -0.655 -26.039 1.00 14.40 O ATOM 1342 CB ILE A 80 -35.982 -0.866 -24.240 1.00 24.14 C ATOM 1343 CG1 ILE A 80 -35.882 -1.920 -25.343 1.00 53.35 C ATOM 1344 CG2 ILE A 80 -35.162 -1.282 -23.027 1.00 15.31 C ATOM 1345 CD1 ILE A 80 -35.277 -1.396 -26.627 1.00 11.05 C ATOM 0 H ILE A 80 -37.726 -2.722 -23.897 1.00 70.32 H new ATOM 0 HA ILE A 80 -37.492 0.029 -22.986 1.00 12.14 H new ATOM 0 HB ILE A 80 -35.579 0.072 -24.622 1.00 24.14 H new ATOM 0 HG12 ILE A 80 -35.282 -2.755 -24.983 1.00 53.35 H new ATOM 0 HG13 ILE A 80 -36.878 -2.310 -25.553 1.00 53.35 H new ATOM 0 HG21 ILE A 80 -34.125 -1.435 -23.324 1.00 15.31 H new ATOM 0 HG22 ILE A 80 -35.211 -0.500 -22.269 1.00 15.31 H new ATOM 0 HG23 ILE A 80 -35.563 -2.209 -22.618 1.00 15.31 H new ATOM 0 HD11 ILE A 80 -35.237 -2.198 -27.364 1.00 11.05 H new ATOM 0 HD12 ILE A 80 -35.889 -0.580 -27.011 1.00 11.05 H new ATOM 0 HD13 ILE A 80 -34.268 -1.032 -26.432 1.00 11.05 H new ATOM 1357 N PHE A 81 -38.568 1.255 -24.857 1.00 73.43 N ATOM 1358 CA PHE A 81 -39.284 1.976 -25.903 1.00 42.12 C ATOM 1359 C PHE A 81 -38.506 3.214 -26.340 1.00 11.20 C ATOM 1360 O PHE A 81 -37.536 3.611 -25.694 1.00 71.14 O ATOM 1361 CB PHE A 81 -40.676 2.380 -25.413 1.00 62.11 C ATOM 1362 CG PHE A 81 -40.649 3.345 -24.262 1.00 24.23 C ATOM 1363 CD1 PHE A 81 -40.324 2.914 -22.986 1.00 21.41 C ATOM 1364 CD2 PHE A 81 -40.948 4.684 -24.456 1.00 62.24 C ATOM 1365 CE1 PHE A 81 -40.299 3.800 -21.925 1.00 64.53 C ATOM 1366 CE2 PHE A 81 -40.923 5.574 -23.399 1.00 2.22 C ATOM 1367 CZ PHE A 81 -40.600 5.131 -22.132 1.00 25.31 C ATOM 0 H PHE A 81 -38.386 1.803 -24.016 1.00 73.43 H new ATOM 0 HA PHE A 81 -39.388 1.312 -26.761 1.00 42.12 H new ATOM 0 HB2 PHE A 81 -41.228 2.828 -26.240 1.00 62.11 H new ATOM 0 HB3 PHE A 81 -41.221 1.485 -25.114 1.00 62.11 H new ATOM 0 HD1 PHE A 81 -40.087 1.874 -22.818 1.00 21.41 H new ATOM 0 HD2 PHE A 81 -41.203 5.036 -25.444 1.00 62.24 H new ATOM 0 HE1 PHE A 81 -40.044 3.451 -20.935 1.00 64.53 H new ATOM 0 HE2 PHE A 81 -41.156 6.616 -23.564 1.00 2.22 H new ATOM 0 HZ PHE A 81 -40.583 5.825 -21.304 1.00 25.31 H new ATOM 1377 N VAL A 82 -38.940 3.821 -27.440 1.00 64.23 N ATOM 1378 CA VAL A 82 -38.286 5.014 -27.963 1.00 63.12 C ATOM 1379 C VAL A 82 -39.299 5.966 -28.591 1.00 31.41 C ATOM 1380 O VAL A 82 -40.357 5.543 -29.056 1.00 22.03 O ATOM 1381 CB VAL A 82 -37.218 4.654 -29.013 1.00 22.24 C ATOM 1382 CG1 VAL A 82 -35.968 4.109 -28.338 1.00 20.13 C ATOM 1383 CG2 VAL A 82 -37.772 3.653 -30.015 1.00 41.04 C ATOM 0 H VAL A 82 -39.742 3.506 -27.986 1.00 64.23 H new ATOM 0 HA VAL A 82 -37.804 5.506 -27.118 1.00 63.12 H new ATOM 0 HB VAL A 82 -36.945 5.560 -29.553 1.00 22.24 H new ATOM 0 HG11 VAL A 82 -35.225 3.860 -29.095 1.00 20.13 H new ATOM 0 HG12 VAL A 82 -35.561 4.862 -27.664 1.00 20.13 H new ATOM 0 HG13 VAL A 82 -36.222 3.214 -27.771 1.00 20.13 H new ATOM 0 HG21 VAL A 82 -37.004 3.410 -30.749 1.00 41.04 H new ATOM 0 HG22 VAL A 82 -38.075 2.745 -29.493 1.00 41.04 H new ATOM 0 HG23 VAL A 82 -38.635 4.085 -30.522 1.00 41.04 H new ATOM 1393 N ASN A 83 -38.967 7.252 -28.602 1.00 25.25 N ATOM 1394 CA ASN A 83 -39.847 8.264 -29.173 1.00 31.11 C ATOM 1395 C ASN A 83 -41.259 8.139 -28.608 1.00 30.41 C ATOM 1396 O ASN A 83 -42.241 8.406 -29.299 1.00 42.21 O ATOM 1397 CB ASN A 83 -39.883 8.138 -30.697 1.00 2.31 C ATOM 1398 CG ASN A 83 -40.263 9.440 -31.375 1.00 54.45 C ATOM 1399 OD1 ASN A 83 -39.362 9.965 -32.197 1.00 52.33 O flip ATOM 1400 ND2 ASN A 83 -41.356 9.967 -31.163 1.00 71.42 N flip ATOM 0 H ASN A 83 -38.094 7.618 -28.222 1.00 25.25 H new ATOM 0 HA ASN A 83 -39.453 9.244 -28.905 1.00 31.11 H new ATOM 0 HB2 ASN A 83 -38.905 7.816 -31.056 1.00 2.31 H new ATOM 0 HB3 ASN A 83 -40.596 7.363 -30.978 1.00 2.31 H new ATOM 0 HD21 ASN A 83 -42.018 9.528 -30.523 1.00 71.42 H new ATOM 0 HD22 ASN A 83 -41.599 10.842 -31.627 1.00 71.42 H new ATOM 1407 N ASP A 84 -41.351 7.728 -27.347 1.00 40.22 N ATOM 1408 CA ASP A 84 -42.642 7.568 -26.688 1.00 20.01 C ATOM 1409 C ASP A 84 -43.481 6.504 -27.389 1.00 51.51 C ATOM 1410 O ASP A 84 -44.708 6.602 -27.443 1.00 52.14 O ATOM 1411 CB ASP A 84 -43.397 8.899 -26.666 1.00 23.12 C ATOM 1412 CG ASP A 84 -44.534 8.903 -25.664 1.00 31.44 C ATOM 1413 OD1 ASP A 84 -44.570 7.998 -24.804 1.00 40.13 O ATOM 1414 OD2 ASP A 84 -45.386 9.813 -25.738 1.00 30.40 O ATOM 0 H ASP A 84 -40.547 7.500 -26.762 1.00 40.22 H new ATOM 0 HA ASP A 84 -42.461 7.246 -25.663 1.00 20.01 H new ATOM 0 HB2 ASP A 84 -42.702 9.704 -26.426 1.00 23.12 H new ATOM 0 HB3 ASP A 84 -43.792 9.106 -27.661 1.00 23.12 H new ATOM 1419 N THR A 85 -42.813 5.489 -27.925 1.00 61.23 N ATOM 1420 CA THR A 85 -43.497 4.408 -28.625 1.00 42.23 C ATOM 1421 C THR A 85 -42.691 3.115 -28.562 1.00 0.34 C ATOM 1422 O THR A 85 -41.463 3.142 -28.457 1.00 55.12 O ATOM 1423 CB THR A 85 -43.753 4.768 -30.101 1.00 13.22 C ATOM 1424 OG1 THR A 85 -44.537 3.745 -30.725 1.00 40.43 O ATOM 1425 CG2 THR A 85 -42.442 4.938 -30.852 1.00 65.41 C ATOM 0 H THR A 85 -41.798 5.392 -27.888 1.00 61.23 H new ATOM 0 HA THR A 85 -44.453 4.262 -28.123 1.00 42.23 H new ATOM 0 HB THR A 85 -44.296 5.712 -30.133 1.00 13.22 H new ATOM 0 HG1 THR A 85 -44.697 3.982 -31.662 1.00 40.43 H new ATOM 0 HG21 THR A 85 -42.649 5.192 -31.892 1.00 65.41 H new ATOM 0 HG22 THR A 85 -41.860 5.737 -30.392 1.00 65.41 H new ATOM 0 HG23 THR A 85 -41.876 4.007 -30.811 1.00 65.41 H new ATOM 1433 N LEU A 86 -43.387 1.986 -28.626 1.00 4.14 N ATOM 1434 CA LEU A 86 -42.736 0.682 -28.576 1.00 31.11 C ATOM 1435 C LEU A 86 -42.900 -0.060 -29.900 1.00 1.45 C ATOM 1436 O LEU A 86 -44.001 -0.449 -30.288 1.00 43.33 O ATOM 1437 CB LEU A 86 -43.314 -0.156 -27.435 1.00 22.33 C ATOM 1438 CG LEU A 86 -42.473 -1.353 -26.988 1.00 62.25 C ATOM 1439 CD1 LEU A 86 -41.511 -0.948 -25.883 1.00 15.02 C ATOM 1440 CD2 LEU A 86 -43.371 -2.492 -26.527 1.00 12.41 C ATOM 0 H LEU A 86 -44.403 1.947 -28.713 1.00 4.14 H new ATOM 0 HA LEU A 86 -41.672 0.842 -28.399 1.00 31.11 H new ATOM 0 HB2 LEU A 86 -43.469 0.495 -26.575 1.00 22.33 H new ATOM 0 HB3 LEU A 86 -44.295 -0.520 -27.739 1.00 22.33 H new ATOM 0 HG LEU A 86 -41.888 -1.700 -27.840 1.00 62.25 H new ATOM 0 HD11 LEU A 86 -40.922 -1.813 -25.579 1.00 15.02 H new ATOM 0 HD12 LEU A 86 -40.845 -0.166 -26.249 1.00 15.02 H new ATOM 0 HD13 LEU A 86 -42.075 -0.574 -25.028 1.00 15.02 H new ATOM 0 HD21 LEU A 86 -42.756 -3.335 -26.213 1.00 12.41 H new ATOM 0 HD22 LEU A 86 -43.983 -2.157 -25.690 1.00 12.41 H new ATOM 0 HD23 LEU A 86 -44.018 -2.801 -27.348 1.00 12.41 H new ATOM 1452 N PRO A 87 -41.779 -0.261 -30.607 1.00 62.33 N ATOM 1453 CA PRO A 87 -41.772 -0.959 -31.896 1.00 71.15 C ATOM 1454 C PRO A 87 -42.065 -2.449 -31.751 1.00 15.31 C ATOM 1455 O PRO A 87 -42.061 -3.002 -30.650 1.00 41.34 O ATOM 1456 CB PRO A 87 -40.347 -0.743 -32.410 1.00 62.01 C ATOM 1457 CG PRO A 87 -39.530 -0.526 -31.183 1.00 34.31 C ATOM 1458 CD PRO A 87 -40.432 0.176 -30.205 1.00 33.22 C ATOM 0 HA PRO A 87 -42.544 -0.581 -32.567 1.00 71.15 H new ATOM 0 HB2 PRO A 87 -39.994 -1.607 -32.973 1.00 62.01 H new ATOM 0 HB3 PRO A 87 -40.293 0.116 -33.078 1.00 62.01 H new ATOM 0 HG2 PRO A 87 -39.176 -1.474 -30.777 1.00 34.31 H new ATOM 0 HG3 PRO A 87 -38.648 0.076 -31.402 1.00 34.31 H new ATOM 0 HD2 PRO A 87 -40.208 -0.108 -29.177 1.00 33.22 H new ATOM 0 HD3 PRO A 87 -40.326 1.259 -30.267 1.00 33.22 H new ATOM 1466 N PRO A 88 -42.325 -3.116 -32.885 1.00 14.02 N ATOM 1467 CA PRO A 88 -42.624 -4.550 -32.909 1.00 30.44 C ATOM 1468 C PRO A 88 -41.405 -5.402 -32.573 1.00 22.12 C ATOM 1469 O PRO A 88 -40.268 -5.009 -32.836 1.00 34.35 O ATOM 1470 CB PRO A 88 -43.066 -4.797 -34.353 1.00 53.32 C ATOM 1471 CG PRO A 88 -42.408 -3.716 -35.141 1.00 32.21 C ATOM 1472 CD PRO A 88 -42.347 -2.521 -34.232 1.00 15.53 C ATOM 0 HA PRO A 88 -43.375 -4.822 -32.167 1.00 30.44 H new ATOM 0 HB2 PRO A 88 -42.756 -5.783 -34.699 1.00 53.32 H new ATOM 0 HB3 PRO A 88 -44.151 -4.752 -34.448 1.00 53.32 H new ATOM 0 HG2 PRO A 88 -41.409 -4.017 -35.458 1.00 32.21 H new ATOM 0 HG3 PRO A 88 -42.975 -3.491 -36.044 1.00 32.21 H new ATOM 0 HD2 PRO A 88 -41.458 -1.919 -34.420 1.00 15.53 H new ATOM 0 HD3 PRO A 88 -43.209 -1.868 -34.369 1.00 15.53 H new ATOM 1480 N THR A 89 -41.648 -6.573 -31.990 1.00 12.40 N ATOM 1481 CA THR A 89 -40.571 -7.480 -31.617 1.00 1.11 C ATOM 1482 C THR A 89 -39.890 -8.062 -32.850 1.00 42.30 C ATOM 1483 O THR A 89 -38.829 -8.678 -32.753 1.00 72.04 O ATOM 1484 CB THR A 89 -41.086 -8.633 -30.736 1.00 40.12 C ATOM 1485 OG1 THR A 89 -42.241 -9.229 -31.337 1.00 70.15 O ATOM 1486 CG2 THR A 89 -41.434 -8.135 -29.341 1.00 75.31 C ATOM 0 H THR A 89 -42.583 -6.915 -31.766 1.00 12.40 H new ATOM 0 HA THR A 89 -39.848 -6.894 -31.049 1.00 1.11 H new ATOM 0 HB THR A 89 -40.295 -9.378 -30.651 1.00 40.12 H new ATOM 0 HG1 THR A 89 -42.562 -9.963 -30.772 1.00 70.15 H new ATOM 0 HG21 THR A 89 -41.795 -8.967 -28.737 1.00 75.31 H new ATOM 0 HG22 THR A 89 -40.546 -7.708 -28.875 1.00 75.31 H new ATOM 0 HG23 THR A 89 -42.210 -7.373 -29.410 1.00 75.31 H new ATOM 1494 N ALA A 90 -40.507 -7.861 -34.010 1.00 72.52 N ATOM 1495 CA ALA A 90 -39.959 -8.364 -35.264 1.00 30.32 C ATOM 1496 C ALA A 90 -39.131 -7.296 -35.969 1.00 4.13 C ATOM 1497 O ALA A 90 -38.525 -7.552 -37.010 1.00 34.54 O ATOM 1498 CB ALA A 90 -41.079 -8.852 -36.171 1.00 51.43 C ATOM 0 H ALA A 90 -41.386 -7.353 -34.107 1.00 72.52 H new ATOM 0 HA ALA A 90 -39.301 -9.202 -35.034 1.00 30.32 H new ATOM 0 HB1 ALA A 90 -40.656 -9.225 -37.104 1.00 51.43 H new ATOM 0 HB2 ALA A 90 -41.626 -9.654 -35.675 1.00 51.43 H new ATOM 0 HB3 ALA A 90 -41.759 -8.028 -36.385 1.00 51.43 H new ATOM 1504 N ALA A 91 -39.109 -6.097 -35.395 1.00 64.43 N ATOM 1505 CA ALA A 91 -38.353 -4.990 -35.969 1.00 75.44 C ATOM 1506 C ALA A 91 -36.853 -5.253 -35.897 1.00 62.51 C ATOM 1507 O ALA A 91 -36.421 -6.363 -35.578 1.00 14.22 O ATOM 1508 CB ALA A 91 -38.697 -3.691 -35.256 1.00 53.12 C ATOM 0 H ALA A 91 -39.605 -5.868 -34.534 1.00 64.43 H new ATOM 0 HA ALA A 91 -38.629 -4.900 -37.020 1.00 75.44 H new ATOM 0 HB1 ALA A 91 -38.126 -2.873 -35.694 1.00 53.12 H new ATOM 0 HB2 ALA A 91 -39.762 -3.488 -35.364 1.00 53.12 H new ATOM 0 HB3 ALA A 91 -38.450 -3.780 -34.198 1.00 53.12 H new ATOM 1514 N LEU A 92 -36.062 -4.229 -36.195 1.00 63.42 N ATOM 1515 CA LEU A 92 -34.608 -4.350 -36.165 1.00 12.31 C ATOM 1516 C LEU A 92 -33.972 -3.111 -35.543 1.00 10.30 C ATOM 1517 O LEU A 92 -34.305 -1.982 -35.905 1.00 31.52 O ATOM 1518 CB LEU A 92 -34.065 -4.563 -37.579 1.00 3.13 C ATOM 1519 CG LEU A 92 -33.023 -5.670 -37.738 1.00 60.30 C ATOM 1520 CD1 LEU A 92 -31.698 -5.251 -37.120 1.00 14.04 C ATOM 1521 CD2 LEU A 92 -33.521 -6.964 -37.109 1.00 70.02 C ATOM 0 H LEU A 92 -36.402 -3.305 -36.460 1.00 63.42 H new ATOM 0 HA LEU A 92 -34.352 -5.214 -35.551 1.00 12.31 H new ATOM 0 HB2 LEU A 92 -34.904 -4.784 -38.239 1.00 3.13 H new ATOM 0 HB3 LEU A 92 -33.626 -3.626 -37.923 1.00 3.13 H new ATOM 0 HG LEU A 92 -32.864 -5.843 -38.802 1.00 60.30 H new ATOM 0 HD11 LEU A 92 -30.969 -6.052 -37.243 1.00 14.04 H new ATOM 0 HD12 LEU A 92 -31.334 -4.350 -37.615 1.00 14.04 H new ATOM 0 HD13 LEU A 92 -31.839 -5.050 -36.058 1.00 14.04 H new ATOM 0 HD21 LEU A 92 -32.767 -7.742 -37.231 1.00 70.02 H new ATOM 0 HD22 LEU A 92 -33.708 -6.804 -36.047 1.00 70.02 H new ATOM 0 HD23 LEU A 92 -34.445 -7.274 -37.598 1.00 70.02 H new ATOM 1533 N MET A 93 -33.053 -3.330 -34.609 1.00 1.21 N ATOM 1534 CA MET A 93 -32.367 -2.230 -33.940 1.00 41.22 C ATOM 1535 C MET A 93 -31.654 -1.338 -34.952 1.00 34.31 C ATOM 1536 O MET A 93 -31.736 -0.113 -34.879 1.00 2.04 O ATOM 1537 CB MET A 93 -31.361 -2.772 -32.922 1.00 72.11 C ATOM 1538 CG MET A 93 -32.005 -3.273 -31.639 1.00 1.43 C ATOM 1539 SD MET A 93 -32.779 -1.951 -30.688 1.00 62.12 S ATOM 1540 CE MET A 93 -31.347 -0.972 -30.243 1.00 0.53 C ATOM 0 H MET A 93 -32.766 -4.258 -34.298 1.00 1.21 H new ATOM 0 HA MET A 93 -33.114 -1.632 -33.418 1.00 41.22 H new ATOM 0 HB2 MET A 93 -30.798 -3.586 -33.378 1.00 72.11 H new ATOM 0 HB3 MET A 93 -30.645 -1.987 -32.677 1.00 72.11 H new ATOM 0 HG2 MET A 93 -32.754 -4.026 -31.883 1.00 1.43 H new ATOM 0 HG3 MET A 93 -31.249 -3.763 -31.025 1.00 1.43 H new ATOM 0 HE1 MET A 93 -31.474 -0.579 -29.234 1.00 0.53 H new ATOM 0 HE2 MET A 93 -30.454 -1.596 -30.280 1.00 0.53 H new ATOM 0 HE3 MET A 93 -31.240 -0.144 -30.944 1.00 0.53 H new ATOM 1550 N SER A 94 -30.955 -1.963 -35.894 1.00 41.32 N ATOM 1551 CA SER A 94 -30.224 -1.225 -36.918 1.00 41.54 C ATOM 1552 C SER A 94 -31.102 -0.140 -37.537 1.00 23.44 C ATOM 1553 O SER A 94 -30.617 0.930 -37.905 1.00 72.02 O ATOM 1554 CB SER A 94 -29.730 -2.178 -38.008 1.00 24.42 C ATOM 1555 OG SER A 94 -29.645 -1.521 -39.261 1.00 30.44 O ATOM 0 H SER A 94 -30.879 -2.977 -35.970 1.00 41.32 H new ATOM 0 HA SER A 94 -29.366 -0.748 -36.444 1.00 41.54 H new ATOM 0 HB2 SER A 94 -28.752 -2.573 -37.734 1.00 24.42 H new ATOM 0 HB3 SER A 94 -30.407 -3.029 -38.085 1.00 24.42 H new ATOM 0 HG SER A 94 -29.326 -2.151 -39.940 1.00 30.44 H new ATOM 1561 N ALA A 95 -32.395 -0.425 -37.646 1.00 31.20 N ATOM 1562 CA ALA A 95 -33.340 0.526 -38.217 1.00 15.11 C ATOM 1563 C ALA A 95 -33.828 1.515 -37.164 1.00 13.11 C ATOM 1564 O ALA A 95 -33.837 2.725 -37.392 1.00 24.01 O ATOM 1565 CB ALA A 95 -34.518 -0.209 -38.838 1.00 71.43 C ATOM 0 H ALA A 95 -32.812 -1.306 -37.347 1.00 31.20 H new ATOM 0 HA ALA A 95 -32.825 1.089 -38.996 1.00 15.11 H new ATOM 0 HB1 ALA A 95 -35.216 0.514 -39.261 1.00 71.43 H new ATOM 0 HB2 ALA A 95 -34.159 -0.871 -39.626 1.00 71.43 H new ATOM 0 HB3 ALA A 95 -35.024 -0.797 -38.073 1.00 71.43 H new ATOM 1571 N ILE A 96 -34.233 0.993 -36.011 1.00 53.12 N ATOM 1572 CA ILE A 96 -34.722 1.831 -34.924 1.00 15.05 C ATOM 1573 C ILE A 96 -33.671 2.851 -34.500 1.00 54.31 C ATOM 1574 O ILE A 96 -34.002 3.941 -34.032 1.00 61.14 O ATOM 1575 CB ILE A 96 -35.124 0.986 -33.699 1.00 1.20 C ATOM 1576 CG1 ILE A 96 -36.179 -0.049 -34.090 1.00 70.22 C ATOM 1577 CG2 ILE A 96 -35.642 1.883 -32.584 1.00 63.30 C ATOM 1578 CD1 ILE A 96 -37.528 0.554 -34.412 1.00 51.00 C ATOM 0 H ILE A 96 -34.232 -0.006 -35.806 1.00 53.12 H new ATOM 0 HA ILE A 96 -35.601 2.354 -35.300 1.00 15.05 H new ATOM 0 HB ILE A 96 -34.242 0.458 -33.335 1.00 1.20 H new ATOM 0 HG12 ILE A 96 -35.824 -0.608 -34.956 1.00 70.22 H new ATOM 0 HG13 ILE A 96 -36.295 -0.763 -33.275 1.00 70.22 H new ATOM 0 HG21 ILE A 96 -35.922 1.272 -31.726 1.00 63.30 H new ATOM 0 HG22 ILE A 96 -34.862 2.586 -32.290 1.00 63.30 H new ATOM 0 HG23 ILE A 96 -36.514 2.435 -32.936 1.00 63.30 H new ATOM 0 HD11 ILE A 96 -38.226 -0.239 -34.681 1.00 51.00 H new ATOM 0 HD12 ILE A 96 -37.905 1.089 -33.540 1.00 51.00 H new ATOM 0 HD13 ILE A 96 -37.427 1.247 -35.247 1.00 51.00 H new ATOM 1590 N TYR A 97 -32.404 2.492 -34.670 1.00 64.41 N ATOM 1591 CA TYR A 97 -31.303 3.375 -34.305 1.00 42.41 C ATOM 1592 C TYR A 97 -31.174 4.524 -35.300 1.00 62.43 C ATOM 1593 O TYR A 97 -31.010 5.680 -34.913 1.00 23.53 O ATOM 1594 CB TYR A 97 -29.991 2.591 -34.242 1.00 22.41 C ATOM 1595 CG TYR A 97 -28.763 3.448 -34.449 1.00 72.21 C ATOM 1596 CD1 TYR A 97 -28.308 3.747 -35.728 1.00 14.32 C ATOM 1597 CD2 TYR A 97 -28.056 3.958 -33.367 1.00 35.23 C ATOM 1598 CE1 TYR A 97 -27.186 4.529 -35.922 1.00 4.43 C ATOM 1599 CE2 TYR A 97 -26.934 4.742 -33.552 1.00 74.10 C ATOM 1600 CZ TYR A 97 -26.503 5.025 -34.831 1.00 21.44 C ATOM 1601 OH TYR A 97 -25.385 5.804 -35.019 1.00 63.00 O ATOM 0 H TYR A 97 -32.114 1.595 -35.059 1.00 64.41 H new ATOM 0 HA TYR A 97 -31.517 3.792 -33.321 1.00 42.41 H new ATOM 0 HB2 TYR A 97 -29.919 2.096 -33.273 1.00 22.41 H new ATOM 0 HB3 TYR A 97 -30.009 1.808 -35.000 1.00 22.41 H new ATOM 0 HD1 TYR A 97 -28.841 3.361 -36.585 1.00 14.32 H new ATOM 0 HD2 TYR A 97 -28.390 3.738 -32.364 1.00 35.23 H new ATOM 0 HE1 TYR A 97 -26.845 4.751 -36.923 1.00 4.43 H new ATOM 0 HE2 TYR A 97 -26.397 5.131 -32.700 1.00 74.10 H new ATOM 0 HH TYR A 97 -25.023 6.073 -34.149 1.00 63.00 H new ATOM 1611 N GLN A 98 -31.251 4.195 -36.587 1.00 15.24 N ATOM 1612 CA GLN A 98 -31.144 5.199 -37.638 1.00 41.42 C ATOM 1613 C GLN A 98 -32.368 6.108 -37.651 1.00 43.23 C ATOM 1614 O GLN A 98 -32.278 7.280 -38.016 1.00 54.34 O ATOM 1615 CB GLN A 98 -30.981 4.525 -39.002 1.00 23.54 C ATOM 1616 CG GLN A 98 -31.129 5.480 -40.175 1.00 63.23 C ATOM 1617 CD GLN A 98 -32.574 5.680 -40.586 1.00 51.31 C ATOM 1618 OE1 GLN A 98 -33.408 4.789 -40.420 1.00 64.30 O ATOM 1619 NE2 GLN A 98 -32.879 6.854 -41.126 1.00 3.23 N ATOM 0 H GLN A 98 -31.387 3.242 -36.925 1.00 15.24 H new ATOM 0 HA GLN A 98 -30.264 5.809 -37.434 1.00 41.42 H new ATOM 0 HB2 GLN A 98 -29.999 4.054 -39.050 1.00 23.54 H new ATOM 0 HB3 GLN A 98 -31.721 3.730 -39.096 1.00 23.54 H new ATOM 0 HG2 GLN A 98 -30.694 6.444 -39.911 1.00 63.23 H new ATOM 0 HG3 GLN A 98 -30.563 5.097 -41.024 1.00 63.23 H new ATOM 0 HE21 GLN A 98 -32.156 7.564 -41.245 1.00 3.23 H new ATOM 0 HE22 GLN A 98 -33.836 7.046 -41.422 1.00 3.23 H new ATOM 1628 N GLU A 99 -33.510 5.560 -37.250 1.00 74.11 N ATOM 1629 CA GLU A 99 -34.754 6.322 -37.217 1.00 25.21 C ATOM 1630 C GLU A 99 -34.700 7.402 -36.141 1.00 35.14 C ATOM 1631 O GLU A 99 -34.965 8.575 -36.407 1.00 60.44 O ATOM 1632 CB GLU A 99 -35.942 5.393 -36.965 1.00 22.21 C ATOM 1633 CG GLU A 99 -37.216 6.124 -36.577 1.00 41.32 C ATOM 1634 CD GLU A 99 -37.444 7.375 -37.403 1.00 55.02 C ATOM 1635 OE1 GLU A 99 -37.199 7.332 -38.626 1.00 61.21 O ATOM 1636 OE2 GLU A 99 -37.869 8.398 -36.825 1.00 72.23 O ATOM 0 H GLU A 99 -33.600 4.591 -36.943 1.00 74.11 H new ATOM 0 HA GLU A 99 -34.881 6.804 -38.186 1.00 25.21 H new ATOM 0 HB2 GLU A 99 -36.130 4.806 -37.864 1.00 22.21 H new ATOM 0 HB3 GLU A 99 -35.681 4.690 -36.174 1.00 22.21 H new ATOM 0 HG2 GLU A 99 -38.067 5.453 -36.698 1.00 41.32 H new ATOM 0 HG3 GLU A 99 -37.169 6.393 -35.522 1.00 41.32 H new ATOM 1643 N HIS A 100 -34.357 6.997 -34.921 1.00 42.13 N ATOM 1644 CA HIS A 100 -34.270 7.929 -33.803 1.00 2.42 C ATOM 1645 C HIS A 100 -32.828 8.377 -33.580 1.00 31.01 C ATOM 1646 O HIS A 100 -32.475 8.859 -32.504 1.00 32.21 O ATOM 1647 CB HIS A 100 -34.818 7.285 -32.530 1.00 41.11 C ATOM 1648 CG HIS A 100 -36.122 6.577 -32.732 1.00 34.21 C ATOM 1649 ND1 HIS A 100 -36.431 5.260 -32.683 1.00 24.20 N flip ATOM 1650 CD2 HIS A 100 -37.299 7.234 -33.024 1.00 31.22 C flip ATOM 1651 CE1 HIS A 100 -37.775 5.146 -32.943 1.00 21.14 C flip ATOM 1652 NE2 HIS A 100 -38.275 6.352 -33.145 1.00 13.53 N flip ATOM 0 H HIS A 100 -34.135 6.030 -34.683 1.00 42.13 H new ATOM 0 HA HIS A 100 -34.871 8.805 -34.046 1.00 2.42 H new ATOM 0 HB2 HIS A 100 -34.084 6.576 -32.146 1.00 41.11 H new ATOM 0 HB3 HIS A 100 -34.946 8.055 -31.769 1.00 41.11 H new ATOM 0 HD2 HIS A 100 -37.406 8.303 -33.136 1.00 31.22 H new ATOM 0 HE1 HIS A 100 -38.332 4.221 -32.977 1.00 21.14 H new ATOM 0 HE2 HIS A 100 -39.249 6.566 -33.358 1.00 13.53 H new ATOM 1660 N LYS A 101 -31.998 8.213 -34.604 1.00 62.20 N ATOM 1661 CA LYS A 101 -30.594 8.599 -34.522 1.00 54.33 C ATOM 1662 C LYS A 101 -30.457 10.091 -34.235 1.00 24.11 C ATOM 1663 O LYS A 101 -30.782 10.927 -35.077 1.00 51.24 O ATOM 1664 CB LYS A 101 -29.871 8.251 -35.824 1.00 72.24 C ATOM 1665 CG LYS A 101 -28.586 9.034 -36.035 1.00 62.52 C ATOM 1666 CD LYS A 101 -27.587 8.776 -34.920 1.00 12.34 C ATOM 1667 CE LYS A 101 -26.176 9.159 -35.336 1.00 24.43 C ATOM 1668 NZ LYS A 101 -26.048 10.622 -35.585 1.00 65.21 N ATOM 0 H LYS A 101 -32.273 7.815 -35.502 1.00 62.20 H new ATOM 0 HA LYS A 101 -30.138 8.045 -33.702 1.00 54.33 H new ATOM 0 HB2 LYS A 101 -29.642 7.185 -35.829 1.00 72.24 H new ATOM 0 HB3 LYS A 101 -30.542 8.437 -36.663 1.00 72.24 H new ATOM 0 HG2 LYS A 101 -28.144 8.758 -36.992 1.00 62.52 H new ATOM 0 HG3 LYS A 101 -28.812 10.099 -36.083 1.00 62.52 H new ATOM 0 HD2 LYS A 101 -27.873 9.344 -34.035 1.00 12.34 H new ATOM 0 HD3 LYS A 101 -27.613 7.722 -34.644 1.00 12.34 H new ATOM 0 HE2 LYS A 101 -25.474 8.861 -34.557 1.00 24.43 H new ATOM 0 HE3 LYS A 101 -25.902 8.612 -36.238 1.00 24.43 H new ATOM 0 HZ1 LYS A 101 -25.139 10.960 -35.210 1.00 65.21 H new ATOM 0 HZ2 LYS A 101 -26.090 10.805 -36.608 1.00 65.21 H new ATOM 0 HZ3 LYS A 101 -26.826 11.124 -35.112 1.00 65.21 H new ATOM 1682 N ASP A 102 -29.972 10.417 -33.042 1.00 13.34 N ATOM 1683 CA ASP A 102 -29.789 11.808 -32.645 1.00 42.03 C ATOM 1684 C ASP A 102 -29.018 12.580 -33.711 1.00 4.32 C ATOM 1685 O ASP A 102 -28.088 12.054 -34.324 1.00 2.42 O ATOM 1686 CB ASP A 102 -29.052 11.886 -31.307 1.00 62.01 C ATOM 1687 CG ASP A 102 -28.859 13.314 -30.835 1.00 53.43 C ATOM 1688 OD1 ASP A 102 -29.668 14.181 -31.225 1.00 11.33 O ATOM 1689 OD2 ASP A 102 -27.899 13.564 -30.077 1.00 4.03 O ATOM 0 H ASP A 102 -29.698 9.737 -32.333 1.00 13.34 H new ATOM 0 HA ASP A 102 -30.774 12.262 -32.535 1.00 42.03 H new ATOM 0 HB2 ASP A 102 -29.611 11.330 -30.554 1.00 62.01 H new ATOM 0 HB3 ASP A 102 -28.079 11.403 -31.402 1.00 62.01 H new ATOM 1694 N LYS A 103 -29.409 13.831 -33.928 1.00 2.44 N ATOM 1695 CA LYS A 103 -28.755 14.677 -34.919 1.00 55.15 C ATOM 1696 C LYS A 103 -27.249 14.725 -34.686 1.00 24.33 C ATOM 1697 O LYS A 103 -26.461 14.491 -35.603 1.00 33.31 O ATOM 1698 CB LYS A 103 -29.334 16.093 -34.873 1.00 3.23 C ATOM 1699 CG LYS A 103 -30.845 16.138 -35.018 1.00 31.11 C ATOM 1700 CD LYS A 103 -31.313 17.471 -35.577 1.00 13.03 C ATOM 1701 CE LYS A 103 -32.306 17.282 -36.712 1.00 43.44 C ATOM 1702 NZ LYS A 103 -33.322 18.371 -36.750 1.00 21.24 N ATOM 0 H LYS A 103 -30.177 14.282 -33.430 1.00 2.44 H new ATOM 0 HA LYS A 103 -28.939 14.247 -35.904 1.00 55.15 H new ATOM 0 HB2 LYS A 103 -29.054 16.560 -33.929 1.00 3.23 H new ATOM 0 HB3 LYS A 103 -28.883 16.687 -35.668 1.00 3.23 H new ATOM 0 HG2 LYS A 103 -31.172 15.332 -35.675 1.00 31.11 H new ATOM 0 HG3 LYS A 103 -31.310 15.966 -34.047 1.00 31.11 H new ATOM 0 HD2 LYS A 103 -31.774 18.058 -34.783 1.00 13.03 H new ATOM 0 HD3 LYS A 103 -30.454 18.038 -35.935 1.00 13.03 H new ATOM 0 HE2 LYS A 103 -31.771 17.252 -37.661 1.00 43.44 H new ATOM 0 HE3 LYS A 103 -32.808 16.321 -36.599 1.00 43.44 H new ATOM 0 HZ1 LYS A 103 -33.980 18.205 -37.538 1.00 21.24 H new ATOM 0 HZ2 LYS A 103 -33.851 18.384 -35.854 1.00 21.24 H new ATOM 0 HZ3 LYS A 103 -32.846 19.286 -36.884 1.00 21.24 H new ATOM 1716 N ASP A 104 -26.855 15.027 -33.453 1.00 41.20 N ATOM 1717 CA ASP A 104 -25.443 15.102 -33.099 1.00 61.40 C ATOM 1718 C ASP A 104 -25.110 14.119 -31.982 1.00 32.24 C ATOM 1719 O ASP A 104 -24.312 14.419 -31.094 1.00 52.43 O ATOM 1720 CB ASP A 104 -25.077 16.524 -32.670 1.00 41.22 C ATOM 1721 CG ASP A 104 -24.920 17.463 -33.851 1.00 75.52 C ATOM 1722 OD1 ASP A 104 -25.842 17.516 -34.692 1.00 3.03 O ATOM 1723 OD2 ASP A 104 -23.876 18.143 -33.934 1.00 54.23 O ATOM 0 H ASP A 104 -27.494 15.224 -32.683 1.00 41.20 H new ATOM 0 HA ASP A 104 -24.859 14.835 -33.980 1.00 61.40 H new ATOM 0 HB2 ASP A 104 -25.849 16.909 -32.003 1.00 41.22 H new ATOM 0 HB3 ASP A 104 -24.147 16.501 -32.102 1.00 41.22 H new ATOM 1728 N GLY A 105 -25.728 12.942 -32.031 1.00 11.55 N ATOM 1729 CA GLY A 105 -25.486 11.934 -31.016 1.00 1.10 C ATOM 1730 C GLY A 105 -25.530 10.527 -31.576 1.00 31.41 C ATOM 1731 O GLY A 105 -25.402 10.326 -32.784 1.00 11.11 O ATOM 0 H GLY A 105 -26.392 12.669 -32.756 1.00 11.55 H new ATOM 0 HA2 GLY A 105 -24.512 12.110 -30.559 1.00 1.10 H new ATOM 0 HA3 GLY A 105 -26.231 12.031 -30.227 1.00 1.10 H new ATOM 1735 N PHE A 106 -25.709 9.547 -30.696 1.00 3.04 N ATOM 1736 CA PHE A 106 -25.766 8.149 -31.108 1.00 54.32 C ATOM 1737 C PHE A 106 -27.212 7.674 -31.218 1.00 34.04 C ATOM 1738 O PHE A 106 -27.757 7.552 -32.316 1.00 44.32 O ATOM 1739 CB PHE A 106 -25.003 7.271 -30.117 1.00 35.44 C ATOM 1740 CG PHE A 106 -23.532 7.569 -30.060 1.00 11.24 C ATOM 1741 CD1 PHE A 106 -22.800 7.734 -31.224 1.00 43.02 C ATOM 1742 CD2 PHE A 106 -22.882 7.686 -28.841 1.00 62.43 C ATOM 1743 CE1 PHE A 106 -21.446 8.008 -31.175 1.00 13.00 C ATOM 1744 CE2 PHE A 106 -21.528 7.960 -28.786 1.00 21.20 C ATOM 1745 CZ PHE A 106 -20.809 8.122 -29.954 1.00 54.31 C ATOM 0 H PHE A 106 -25.817 9.695 -29.693 1.00 3.04 H new ATOM 0 HA PHE A 106 -25.299 8.066 -32.089 1.00 54.32 H new ATOM 0 HB2 PHE A 106 -25.431 7.403 -29.123 1.00 35.44 H new ATOM 0 HB3 PHE A 106 -25.143 6.225 -30.388 1.00 35.44 H new ATOM 0 HD1 PHE A 106 -23.293 7.648 -32.181 1.00 43.02 H new ATOM 0 HD2 PHE A 106 -23.439 7.562 -27.924 1.00 62.43 H new ATOM 0 HE1 PHE A 106 -20.886 8.133 -32.090 1.00 13.00 H new ATOM 0 HE2 PHE A 106 -21.033 8.047 -27.830 1.00 21.20 H new ATOM 0 HZ PHE A 106 -19.751 8.337 -29.913 1.00 54.31 H new ATOM 1755 N LEU A 107 -27.829 7.407 -30.072 1.00 34.50 N ATOM 1756 CA LEU A 107 -29.213 6.944 -30.038 1.00 20.04 C ATOM 1757 C LEU A 107 -29.796 7.076 -28.635 1.00 22.24 C ATOM 1758 O LEU A 107 -29.107 6.845 -27.640 1.00 70.03 O ATOM 1759 CB LEU A 107 -29.296 5.489 -30.502 1.00 25.42 C ATOM 1760 CG LEU A 107 -30.644 5.041 -31.069 1.00 23.10 C ATOM 1761 CD1 LEU A 107 -31.662 4.867 -29.953 1.00 65.10 C ATOM 1762 CD2 LEU A 107 -31.146 6.041 -32.101 1.00 62.21 C ATOM 0 H LEU A 107 -27.394 7.503 -29.155 1.00 34.50 H new ATOM 0 HA LEU A 107 -29.796 7.568 -30.715 1.00 20.04 H new ATOM 0 HB2 LEU A 107 -28.533 5.327 -31.263 1.00 25.42 H new ATOM 0 HB3 LEU A 107 -29.047 4.845 -29.659 1.00 25.42 H new ATOM 0 HG LEU A 107 -30.508 4.078 -31.561 1.00 23.10 H new ATOM 0 HD11 LEU A 107 -32.615 4.548 -30.376 1.00 65.10 H new ATOM 0 HD12 LEU A 107 -31.306 4.113 -29.250 1.00 65.10 H new ATOM 0 HD13 LEU A 107 -31.796 5.815 -29.431 1.00 65.10 H new ATOM 0 HD21 LEU A 107 -32.106 5.707 -32.494 1.00 62.21 H new ATOM 0 HD22 LEU A 107 -31.266 7.018 -31.633 1.00 62.21 H new ATOM 0 HD23 LEU A 107 -30.426 6.115 -32.916 1.00 62.21 H new ATOM 1774 N TYR A 108 -31.069 7.447 -28.562 1.00 52.01 N ATOM 1775 CA TYR A 108 -31.746 7.609 -27.281 1.00 2.24 C ATOM 1776 C TYR A 108 -32.776 6.505 -27.064 1.00 12.45 C ATOM 1777 O TYR A 108 -33.680 6.316 -27.877 1.00 52.31 O ATOM 1778 CB TYR A 108 -32.425 8.978 -27.209 1.00 74.20 C ATOM 1779 CG TYR A 108 -31.459 10.126 -27.026 1.00 61.00 C ATOM 1780 CD1 TYR A 108 -30.896 10.395 -25.785 1.00 13.31 C ATOM 1781 CD2 TYR A 108 -31.108 10.942 -28.095 1.00 2.01 C ATOM 1782 CE1 TYR A 108 -30.013 11.443 -25.612 1.00 63.10 C ATOM 1783 CE2 TYR A 108 -30.225 11.991 -27.933 1.00 25.41 C ATOM 1784 CZ TYR A 108 -29.679 12.238 -26.689 1.00 74.42 C ATOM 1785 OH TYR A 108 -28.800 13.283 -26.523 1.00 63.53 O ATOM 0 H TYR A 108 -31.653 7.641 -29.375 1.00 52.01 H new ATOM 0 HA TYR A 108 -30.997 7.540 -26.492 1.00 2.24 H new ATOM 0 HB2 TYR A 108 -32.997 9.138 -28.123 1.00 74.20 H new ATOM 0 HB3 TYR A 108 -33.136 8.978 -26.383 1.00 74.20 H new ATOM 0 HD1 TYR A 108 -31.153 9.773 -24.940 1.00 13.31 H new ATOM 0 HD2 TYR A 108 -31.533 10.752 -29.069 1.00 2.01 H new ATOM 0 HE1 TYR A 108 -29.587 11.639 -24.639 1.00 63.10 H new ATOM 0 HE2 TYR A 108 -29.963 12.615 -28.775 1.00 25.41 H new ATOM 0 HH TYR A 108 -28.671 13.742 -27.380 1.00 63.53 H new ATOM 1795 N VAL A 109 -32.632 5.779 -25.960 1.00 15.23 N ATOM 1796 CA VAL A 109 -33.551 4.695 -25.634 1.00 30.41 C ATOM 1797 C VAL A 109 -33.966 4.750 -24.168 1.00 35.31 C ATOM 1798 O VAL A 109 -33.196 5.177 -23.307 1.00 75.22 O ATOM 1799 CB VAL A 109 -32.922 3.320 -25.926 1.00 43.01 C ATOM 1800 CG1 VAL A 109 -33.897 2.202 -25.585 1.00 2.44 C ATOM 1801 CG2 VAL A 109 -32.487 3.232 -27.382 1.00 11.13 C ATOM 0 H VAL A 109 -31.888 5.922 -25.277 1.00 15.23 H new ATOM 0 HA VAL A 109 -34.431 4.825 -26.264 1.00 30.41 H new ATOM 0 HB VAL A 109 -32.039 3.204 -25.298 1.00 43.01 H new ATOM 0 HG11 VAL A 109 -33.434 1.238 -25.798 1.00 2.44 H new ATOM 0 HG12 VAL A 109 -34.155 2.255 -24.527 1.00 2.44 H new ATOM 0 HG13 VAL A 109 -34.800 2.311 -26.185 1.00 2.44 H new ATOM 0 HG21 VAL A 109 -32.045 2.254 -27.571 1.00 11.13 H new ATOM 0 HG22 VAL A 109 -33.353 3.370 -28.029 1.00 11.13 H new ATOM 0 HG23 VAL A 109 -31.751 4.009 -27.590 1.00 11.13 H new ATOM 1811 N THR A 110 -35.191 4.313 -23.889 1.00 34.42 N ATOM 1812 CA THR A 110 -35.711 4.311 -22.527 1.00 2.51 C ATOM 1813 C THR A 110 -36.327 2.963 -22.175 1.00 34.32 C ATOM 1814 O THR A 110 -36.759 2.218 -23.056 1.00 30.15 O ATOM 1815 CB THR A 110 -36.768 5.415 -22.329 1.00 74.31 C ATOM 1816 OG1 THR A 110 -37.490 5.188 -21.113 1.00 4.13 O ATOM 1817 CG2 THR A 110 -37.737 5.452 -23.501 1.00 32.23 C ATOM 0 H THR A 110 -35.841 3.956 -24.589 1.00 34.42 H new ATOM 0 HA THR A 110 -34.866 4.504 -21.865 1.00 2.51 H new ATOM 0 HB THR A 110 -36.254 6.375 -22.273 1.00 74.31 H new ATOM 0 HG1 THR A 110 -38.404 4.903 -21.323 1.00 4.13 H new ATOM 0 HG21 THR A 110 -38.474 6.239 -23.339 1.00 32.23 H new ATOM 0 HG22 THR A 110 -37.188 5.653 -24.421 1.00 32.23 H new ATOM 0 HG23 THR A 110 -38.245 4.491 -23.584 1.00 32.23 H new ATOM 1825 N TYR A 111 -36.367 2.655 -20.883 1.00 41.13 N ATOM 1826 CA TYR A 111 -36.929 1.395 -20.416 1.00 35.53 C ATOM 1827 C TYR A 111 -37.890 1.625 -19.252 1.00 61.23 C ATOM 1828 O TYR A 111 -37.680 2.512 -18.426 1.00 15.05 O ATOM 1829 CB TYR A 111 -35.813 0.441 -19.987 1.00 2.24 C ATOM 1830 CG TYR A 111 -35.120 0.856 -18.708 1.00 51.22 C ATOM 1831 CD1 TYR A 111 -34.400 2.042 -18.638 1.00 63.50 C ATOM 1832 CD2 TYR A 111 -35.185 0.061 -17.570 1.00 73.20 C ATOM 1833 CE1 TYR A 111 -33.765 2.425 -17.472 1.00 73.12 C ATOM 1834 CE2 TYR A 111 -34.555 0.437 -16.399 1.00 64.54 C ATOM 1835 CZ TYR A 111 -33.846 1.619 -16.356 1.00 21.22 C ATOM 1836 OH TYR A 111 -33.215 1.995 -15.192 1.00 52.12 O ATOM 0 H TYR A 111 -36.017 3.261 -20.141 1.00 41.13 H new ATOM 0 HA TYR A 111 -37.484 0.947 -21.241 1.00 35.53 H new ATOM 0 HB2 TYR A 111 -36.230 -0.558 -19.857 1.00 2.24 H new ATOM 0 HB3 TYR A 111 -35.074 0.376 -20.786 1.00 2.24 H new ATOM 0 HD1 TYR A 111 -34.335 2.676 -19.510 1.00 63.50 H new ATOM 0 HD2 TYR A 111 -35.737 -0.867 -17.601 1.00 73.20 H new ATOM 0 HE1 TYR A 111 -33.209 3.350 -17.435 1.00 73.12 H new ATOM 0 HE2 TYR A 111 -34.618 -0.191 -15.523 1.00 64.54 H new ATOM 0 HH TYR A 111 -33.760 1.727 -14.423 1.00 52.12 H new ATOM 1846 N SER A 112 -38.946 0.819 -19.198 1.00 31.23 N ATOM 1847 CA SER A 112 -39.942 0.937 -18.139 1.00 62.41 C ATOM 1848 C SER A 112 -40.792 -0.328 -18.051 1.00 12.34 C ATOM 1849 O SER A 112 -40.850 -1.117 -18.992 1.00 55.51 O ATOM 1850 CB SER A 112 -40.839 2.151 -18.385 1.00 5.20 C ATOM 1851 OG SER A 112 -41.409 2.110 -19.681 1.00 64.01 O ATOM 0 H SER A 112 -39.134 0.079 -19.874 1.00 31.23 H new ATOM 0 HA SER A 112 -39.417 1.069 -17.193 1.00 62.41 H new ATOM 0 HB2 SER A 112 -41.631 2.179 -17.637 1.00 5.20 H new ATOM 0 HB3 SER A 112 -40.258 3.066 -18.269 1.00 5.20 H new ATOM 0 HG SER A 112 -42.352 1.853 -19.615 1.00 64.01 H new ATOM 1857 N GLY A 113 -41.451 -0.512 -16.911 1.00 24.22 N ATOM 1858 CA GLY A 113 -42.289 -1.681 -16.719 1.00 23.44 C ATOM 1859 C GLY A 113 -43.708 -1.464 -17.205 1.00 5.21 C ATOM 1860 O GLY A 113 -44.601 -2.255 -16.907 1.00 72.43 O ATOM 0 H GLY A 113 -41.419 0.128 -16.117 1.00 24.22 H new ATOM 0 HA2 GLY A 113 -41.853 -2.528 -17.249 1.00 23.44 H new ATOM 0 HA3 GLY A 113 -42.307 -1.942 -15.661 1.00 23.44 H new ATOM 1864 N GLU A 114 -43.916 -0.385 -17.953 1.00 53.42 N ATOM 1865 CA GLU A 114 -45.238 -0.063 -18.478 1.00 74.41 C ATOM 1866 C GLU A 114 -45.130 0.716 -19.786 1.00 1.11 C ATOM 1867 O GLU A 114 -44.146 1.414 -20.024 1.00 64.41 O ATOM 1868 CB GLU A 114 -46.037 0.745 -17.453 1.00 44.32 C ATOM 1869 CG GLU A 114 -45.226 1.839 -16.777 1.00 72.35 C ATOM 1870 CD GLU A 114 -46.032 2.614 -15.754 1.00 12.11 C ATOM 1871 OE1 GLU A 114 -47.249 2.797 -15.973 1.00 3.15 O ATOM 1872 OE2 GLU A 114 -45.448 3.036 -14.734 1.00 52.42 O ATOM 0 H GLU A 114 -43.187 0.281 -18.209 1.00 53.42 H new ATOM 0 HA GLU A 114 -45.759 -1.000 -18.676 1.00 74.41 H new ATOM 0 HB2 GLU A 114 -46.898 1.195 -17.948 1.00 44.32 H new ATOM 0 HB3 GLU A 114 -46.425 0.068 -16.692 1.00 44.32 H new ATOM 0 HG2 GLU A 114 -44.358 1.394 -16.289 1.00 72.35 H new ATOM 0 HG3 GLU A 114 -44.849 2.527 -17.534 1.00 72.35 H new ATOM 1879 N ASN A 115 -46.150 0.591 -20.629 1.00 4.12 N ATOM 1880 CA ASN A 115 -46.169 1.282 -21.912 1.00 42.33 C ATOM 1881 C ASN A 115 -47.150 2.451 -21.886 1.00 4.42 C ATOM 1882 O ASN A 115 -47.095 3.341 -22.735 1.00 10.30 O ATOM 1883 CB ASN A 115 -46.547 0.311 -23.033 1.00 5.21 C ATOM 1884 CG ASN A 115 -46.973 1.028 -24.300 1.00 61.32 C ATOM 1885 OD1 ASN A 115 -48.100 0.869 -24.767 1.00 31.12 O ATOM 1886 ND2 ASN A 115 -46.069 1.821 -24.863 1.00 20.20 N ATOM 0 H ASN A 115 -46.974 0.018 -20.446 1.00 4.12 H new ATOM 0 HA ASN A 115 -45.169 1.673 -22.100 1.00 42.33 H new ATOM 0 HB2 ASN A 115 -45.697 -0.335 -23.253 1.00 5.21 H new ATOM 0 HB3 ASN A 115 -47.358 -0.334 -22.694 1.00 5.21 H new ATOM 0 HD21 ASN A 115 -46.297 2.328 -25.718 1.00 20.20 H new ATOM 0 HD22 ASN A 115 -45.146 1.923 -24.441 1.00 20.20 H new ATOM 1893 N THR A 116 -48.046 2.444 -20.904 1.00 22.20 N ATOM 1894 CA THR A 116 -49.038 3.502 -20.766 1.00 44.11 C ATOM 1895 C THR A 116 -49.246 3.873 -19.303 1.00 31.15 C ATOM 1896 O THR A 116 -48.663 3.261 -18.407 1.00 51.03 O ATOM 1897 CB THR A 116 -50.390 3.086 -21.375 1.00 44.13 C ATOM 1898 OG1 THR A 116 -50.646 1.704 -21.104 1.00 70.32 O ATOM 1899 CG2 THR A 116 -50.403 3.325 -22.878 1.00 31.21 C ATOM 0 H THR A 116 -48.105 1.716 -20.192 1.00 22.20 H new ATOM 0 HA THR A 116 -48.655 4.367 -21.306 1.00 44.11 H new ATOM 0 HB THR A 116 -51.171 3.695 -20.919 1.00 44.13 H new ATOM 0 HG1 THR A 116 -51.508 1.449 -21.493 1.00 70.32 H new ATOM 0 HG21 THR A 116 -51.368 3.024 -23.286 1.00 31.21 H new ATOM 0 HG22 THR A 116 -50.238 4.383 -23.080 1.00 31.21 H new ATOM 0 HG23 THR A 116 -49.612 2.739 -23.346 1.00 31.21 H new