USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1309 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: B 60 CYS SG : rot -140:sc= 0 USER MOD Set 1.2: B 97 MET CE :methyl -153:sc= -0.082 (180deg=-0.536) USER MOD Set 2.1: B 46 TYR OH : rot 180:sc= -1.09! USER MOD Set 2.2: B 72 LYS NZ :NH3+ 168:sc= 1.25 (180deg=0) USER MOD Set 3.1: B 38 SER OG : rot 58:sc= 1.42 USER MOD Set 3.2: B 112 LYS NZ :NH3+ -143:sc= 0.77 (180deg=-0.365) USER MOD Set 4.1: A 60 CYS SG : rot 101:sc= -0.442 USER MOD Set 4.2: A 97 MET CE :methyl -163:sc= -0.0731 (180deg=-0.478) USER MOD Set 5.1: A 38 SER OG : rot 95:sc= 1.43 USER MOD Set 5.2: A 112 LYS NZ :NH3+ -149:sc= 0.564 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 43 ASN : amide:sc= 0.11 K(o=0.11,f=-0.94) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -79:sc= -0.718! USER MOD Single : A 49 THR OG1 : rot -81:sc= 1.29 USER MOD Single : A 51 GLN : amide:sc= -0.787 K(o=-0.79,f=-0.2) USER MOD Single : A 56 HIS : no HD1:sc= 0.183 K(o=0.18,f=-3.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 66:sc= 0.415 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.84! C(o=-3.8!,f=-7.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -38:sc= 0.324 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 1.07 (180deg=1.01) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.82 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -152:sc= -2.68! USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 179:sc= 0.153 (180deg=0.152) USER MOD Single : B 24 GLN : amide:sc= -0.917 X(o=-0.92,f=-0.54) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ -155:sc= -0.146 (180deg=-1.39!) USER MOD Single : B 32 LYS NZ :NH3+ -139:sc= 0.0758 (180deg=-0.257) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 TYR OH : rot 180:sc=-0.00184 USER MOD Single : B 43 ASN : amide:sc= 0.815 K(o=0.81,f=-1.2) USER MOD Single : B 48 SER OG : rot 180:sc= -1.31 USER MOD Single : B 49 THR OG1 : rot -72:sc= 1.18 USER MOD Single : B 51 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 56 HIS : no HD1:sc= -0.0578 K(o=-0.058,f=-2.3) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 69:sc= 0.446 USER MOD Single : B 62 SER OG : rot 102:sc= 1.2 USER MOD Single : B 64 ASN : amide:sc= -5.75! C(o=-5.8!,f=-12!) USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 CYS SG : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 9:sc= 0.126 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 78 LYS NZ :NH3+ 173:sc= 0.881 (180deg=0.683) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot 111:sc= 0.0746 USER MOD Single : B 89 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 90 SER OG : rot -60:sc= -1.39 USER MOD Single : B 100 THR OG1 : rot -130:sc= -0.686 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 151:sc= 1.13 (180deg=0.921) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -15.123 10.300 7.732 1.00 31.13 N ATOM 469 CA GLU A 33 -15.778 9.869 6.554 1.00 34.32 C ATOM 470 C GLU A 33 -14.998 8.789 5.806 1.00 21.44 C ATOM 471 O GLU A 33 -15.579 7.842 5.338 1.00 13.33 O ATOM 472 CB GLU A 33 -16.241 11.009 5.676 1.00 44.11 C ATOM 473 CG GLU A 33 -17.189 11.935 6.409 1.00 72.14 C ATOM 474 CD GLU A 33 -18.184 12.581 5.507 1.00 12.33 C ATOM 475 OE1 GLU A 33 -19.191 11.932 5.166 1.00 4.41 O ATOM 476 OE2 GLU A 33 -17.984 13.747 5.129 1.00 62.24 O ATOM 0 HA GLU A 33 -16.697 9.384 6.882 1.00 34.32 H new ATOM 0 HB2 GLU A 33 -15.376 11.575 5.329 1.00 44.11 H new ATOM 0 HB3 GLU A 33 -16.736 10.608 4.791 1.00 44.11 H new ATOM 0 HG2 GLU A 33 -17.716 11.371 7.179 1.00 72.14 H new ATOM 0 HG3 GLU A 33 -16.613 12.708 6.918 1.00 72.14 H new ATOM 483 N ILE A 34 -13.672 8.918 5.726 1.00 24.42 N ATOM 484 CA ILE A 34 -12.860 7.903 5.014 1.00 1.21 C ATOM 485 C ILE A 34 -12.913 6.569 5.733 1.00 22.34 C ATOM 486 O ILE A 34 -12.927 5.525 5.091 1.00 2.22 O ATOM 487 CB ILE A 34 -11.382 8.305 4.712 1.00 63.24 C ATOM 488 CG1 ILE A 34 -10.643 8.654 5.984 1.00 71.32 C ATOM 489 CG2 ILE A 34 -11.296 9.420 3.681 1.00 45.24 C ATOM 490 CD1 ILE A 34 -9.248 9.170 5.777 1.00 41.10 C ATOM 0 H ILE A 34 -13.140 9.689 6.130 1.00 24.42 H new ATOM 0 HA ILE A 34 -13.329 7.822 4.033 1.00 1.21 H new ATOM 0 HB ILE A 34 -10.889 7.437 4.274 1.00 63.24 H new ATOM 0 HG12 ILE A 34 -11.217 9.405 6.527 1.00 71.32 H new ATOM 0 HG13 ILE A 34 -10.598 7.768 6.617 1.00 71.32 H new ATOM 0 HG21 ILE A 34 -10.250 9.669 3.500 1.00 45.24 H new ATOM 0 HG22 ILE A 34 -11.757 9.091 2.750 1.00 45.24 H new ATOM 0 HG23 ILE A 34 -11.819 10.301 4.053 1.00 45.24 H new ATOM 0 HD11 ILE A 34 -8.796 9.394 6.743 1.00 41.10 H new ATOM 0 HD12 ILE A 34 -8.653 8.414 5.264 1.00 41.10 H new ATOM 0 HD13 ILE A 34 -9.281 10.077 5.173 1.00 41.10 H new ATOM 502 N ASP A 35 -12.987 6.614 7.075 1.00 54.30 N ATOM 503 CA ASP A 35 -13.060 5.393 7.886 1.00 61.43 C ATOM 504 C ASP A 35 -14.325 4.626 7.507 1.00 43.24 C ATOM 505 O ASP A 35 -14.320 3.407 7.346 1.00 72.13 O ATOM 506 CB ASP A 35 -13.123 5.697 9.418 1.00 64.13 C ATOM 507 CG ASP A 35 -11.947 6.483 10.004 1.00 10.31 C ATOM 508 OD1 ASP A 35 -10.795 6.208 9.679 1.00 44.40 O ATOM 509 OD2 ASP A 35 -12.191 7.376 10.854 1.00 50.12 O ATOM 0 H ASP A 35 -12.998 7.479 7.615 1.00 54.30 H new ATOM 0 HA ASP A 35 -12.157 4.815 7.688 1.00 61.43 H new ATOM 0 HB2 ASP A 35 -14.039 6.252 9.619 1.00 64.13 H new ATOM 0 HB3 ASP A 35 -13.201 4.750 9.952 1.00 64.13 H new ATOM 514 N LYS A 36 -15.411 5.367 7.346 1.00 43.24 N ATOM 515 CA LYS A 36 -16.705 4.782 7.008 1.00 4.23 C ATOM 516 C LYS A 36 -16.815 4.429 5.523 1.00 1.11 C ATOM 517 O LYS A 36 -17.560 3.533 5.151 1.00 61.03 O ATOM 518 CB LYS A 36 -17.864 5.691 7.403 1.00 70.41 C ATOM 519 CG LYS A 36 -17.940 6.019 8.874 1.00 50.35 C ATOM 520 CD LYS A 36 -19.187 6.824 9.164 1.00 1.41 C ATOM 521 CE LYS A 36 -19.288 7.190 10.618 1.00 51.13 C ATOM 522 NZ LYS A 36 -20.555 7.879 10.911 1.00 72.25 N ATOM 0 H LYS A 36 -15.424 6.382 7.444 1.00 43.24 H new ATOM 0 HA LYS A 36 -16.771 3.860 7.585 1.00 4.23 H new ATOM 0 HB2 LYS A 36 -17.785 6.622 6.841 1.00 70.41 H new ATOM 0 HB3 LYS A 36 -18.798 5.216 7.103 1.00 70.41 H new ATOM 0 HG2 LYS A 36 -17.947 5.100 9.459 1.00 50.35 H new ATOM 0 HG3 LYS A 36 -17.056 6.582 9.175 1.00 50.35 H new ATOM 0 HD2 LYS A 36 -19.183 7.731 8.560 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -20.066 6.250 8.871 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -19.212 6.290 11.228 1.00 51.13 H new ATOM 0 HE3 LYS A 36 -18.451 7.832 10.892 1.00 51.13 H new ATOM 0 HZ1 LYS A 36 -20.594 8.118 11.922 1.00 72.25 H new ATOM 0 HZ2 LYS A 36 -20.615 8.750 10.346 1.00 72.25 H new ATOM 0 HZ3 LYS A 36 -21.352 7.256 10.672 1.00 72.25 H new ATOM 536 N ARG A 37 -16.074 5.131 4.686 1.00 43.23 N ATOM 537 CA ARG A 37 -16.110 4.941 3.236 1.00 60.41 C ATOM 538 C ARG A 37 -15.096 3.892 2.771 1.00 44.10 C ATOM 539 O ARG A 37 -14.828 3.768 1.578 1.00 34.31 O ATOM 540 CB ARG A 37 -15.810 6.272 2.531 1.00 34.32 C ATOM 541 CG ARG A 37 -16.884 7.341 2.690 1.00 34.41 C ATOM 542 CD ARG A 37 -16.454 8.668 2.061 1.00 34.23 C ATOM 543 NE ARG A 37 -15.342 9.324 2.783 1.00 44.12 N ATOM 544 CZ ARG A 37 -14.807 10.546 2.482 1.00 11.33 C ATOM 545 NH1 ARG A 37 -15.223 11.225 1.425 1.00 30.41 N ATOM 546 NH2 ARG A 37 -13.855 11.071 3.262 1.00 64.35 N ATOM 0 H ARG A 37 -15.423 5.856 4.989 1.00 43.23 H new ATOM 0 HA ARG A 37 -17.108 4.588 2.977 1.00 60.41 H new ATOM 0 HB2 ARG A 37 -14.868 6.665 2.914 1.00 34.32 H new ATOM 0 HB3 ARG A 37 -15.666 6.078 1.468 1.00 34.32 H new ATOM 0 HG2 ARG A 37 -17.809 7.000 2.225 1.00 34.41 H new ATOM 0 HG3 ARG A 37 -17.095 7.491 3.749 1.00 34.41 H new ATOM 0 HD2 ARG A 37 -16.154 8.492 1.028 1.00 34.23 H new ATOM 0 HD3 ARG A 37 -17.309 9.343 2.034 1.00 34.23 H new ATOM 0 HE ARG A 37 -14.939 8.821 3.574 1.00 44.12 H new ATOM 0 HH11 ARG A 37 -15.951 10.838 0.824 1.00 30.41 H new ATOM 0 HH12 ARG A 37 -14.816 12.136 1.211 1.00 30.41 H new ATOM 0 HH21 ARG A 37 -13.528 10.560 4.082 1.00 64.35 H new ATOM 0 HH22 ARG A 37 -13.456 11.982 3.037 1.00 64.35 H new ATOM 560 N SER A 38 -14.555 3.150 3.691 1.00 72.21 N ATOM 561 CA SER A 38 -13.573 2.153 3.370 1.00 11.04 C ATOM 562 C SER A 38 -14.213 0.755 3.235 1.00 71.03 C ATOM 563 O SER A 38 -15.169 0.407 3.959 1.00 35.14 O ATOM 564 CB SER A 38 -12.504 2.153 4.460 1.00 44.42 C ATOM 565 OG SER A 38 -11.448 1.269 4.158 1.00 75.14 O ATOM 0 H SER A 38 -14.780 3.217 4.684 1.00 72.21 H new ATOM 0 HA SER A 38 -13.122 2.392 2.407 1.00 11.04 H new ATOM 0 HB2 SER A 38 -12.110 3.162 4.582 1.00 44.42 H new ATOM 0 HB3 SER A 38 -12.955 1.869 5.411 1.00 44.42 H new ATOM 0 HG SER A 38 -10.725 1.762 3.716 1.00 75.14 H new ATOM 571 N VAL A 39 -13.677 -0.040 2.319 1.00 41.44 N ATOM 572 CA VAL A 39 -14.162 -1.387 2.096 1.00 0.54 C ATOM 573 C VAL A 39 -13.024 -2.371 2.142 1.00 72.21 C ATOM 574 O VAL A 39 -11.858 -2.013 1.939 1.00 33.10 O ATOM 575 CB VAL A 39 -14.942 -1.606 0.752 1.00 31.31 C ATOM 576 CG1 VAL A 39 -16.145 -0.698 0.660 1.00 71.25 C ATOM 577 CG2 VAL A 39 -14.044 -1.436 -0.470 1.00 40.20 C ATOM 0 H VAL A 39 -12.900 0.231 1.716 1.00 41.44 H new ATOM 0 HA VAL A 39 -14.876 -1.551 2.904 1.00 0.54 H new ATOM 0 HB VAL A 39 -15.292 -2.638 0.758 1.00 31.31 H new ATOM 0 HG11 VAL A 39 -16.663 -0.875 -0.283 1.00 71.25 H new ATOM 0 HG12 VAL A 39 -16.821 -0.904 1.490 1.00 71.25 H new ATOM 0 HG13 VAL A 39 -15.821 0.342 0.706 1.00 71.25 H new ATOM 0 HG21 VAL A 39 -14.628 -1.597 -1.376 1.00 40.20 H new ATOM 0 HG22 VAL A 39 -13.630 -0.428 -0.480 1.00 40.20 H new ATOM 0 HG23 VAL A 39 -13.232 -2.162 -0.428 1.00 40.20 H new ATOM 587 N TYR A 40 -13.377 -3.593 2.359 1.00 25.31 N ATOM 588 CA TYR A 40 -12.487 -4.696 2.403 1.00 24.34 C ATOM 589 C TYR A 40 -12.747 -5.535 1.202 1.00 12.52 C ATOM 590 O TYR A 40 -13.873 -5.970 0.987 1.00 2.34 O ATOM 591 CB TYR A 40 -12.724 -5.543 3.678 1.00 61.31 C ATOM 592 CG TYR A 40 -12.214 -6.978 3.566 1.00 2.22 C ATOM 593 CD1 TYR A 40 -10.872 -7.285 3.668 1.00 72.41 C ATOM 594 CD2 TYR A 40 -13.106 -8.021 3.319 1.00 53.23 C ATOM 595 CE1 TYR A 40 -10.429 -8.579 3.535 1.00 61.22 C ATOM 596 CE2 TYR A 40 -12.679 -9.311 3.181 1.00 34.51 C ATOM 597 CZ TYR A 40 -11.335 -9.592 3.288 1.00 4.24 C ATOM 598 OH TYR A 40 -10.890 -10.894 3.148 1.00 61.03 O ATOM 0 H TYR A 40 -14.348 -3.860 2.519 1.00 25.31 H new ATOM 0 HA TYR A 40 -11.458 -4.337 2.419 1.00 24.34 H new ATOM 0 HB2 TYR A 40 -12.234 -5.058 4.522 1.00 61.31 H new ATOM 0 HB3 TYR A 40 -13.792 -5.562 3.897 1.00 61.31 H new ATOM 0 HD1 TYR A 40 -10.159 -6.496 3.855 1.00 72.41 H new ATOM 0 HD2 TYR A 40 -14.160 -7.803 3.235 1.00 53.23 H new ATOM 0 HE1 TYR A 40 -9.376 -8.803 3.623 1.00 61.22 H new ATOM 0 HE2 TYR A 40 -13.388 -10.103 2.990 1.00 34.51 H new ATOM 0 HH TYR A 40 -11.654 -11.484 2.979 1.00 61.03 H new ATOM 608 N VAL A 41 -11.756 -5.717 0.412 1.00 11.53 N ATOM 609 CA VAL A 41 -11.821 -6.593 -0.699 1.00 53.44 C ATOM 610 C VAL A 41 -10.738 -7.625 -0.523 1.00 5.13 C ATOM 611 O VAL A 41 -9.571 -7.320 -0.627 1.00 1.22 O ATOM 612 CB VAL A 41 -11.595 -5.844 -2.015 1.00 22.34 C ATOM 613 CG1 VAL A 41 -11.662 -6.817 -3.195 1.00 51.10 C ATOM 614 CG2 VAL A 41 -12.630 -4.741 -2.174 1.00 70.50 C ATOM 0 H VAL A 41 -10.855 -5.251 0.521 1.00 11.53 H new ATOM 0 HA VAL A 41 -12.809 -7.051 -0.744 1.00 53.44 H new ATOM 0 HB VAL A 41 -10.604 -5.390 -1.997 1.00 22.34 H new ATOM 0 HG11 VAL A 41 -11.500 -6.273 -4.125 1.00 51.10 H new ATOM 0 HG12 VAL A 41 -10.892 -7.580 -3.082 1.00 51.10 H new ATOM 0 HG13 VAL A 41 -12.642 -7.293 -3.219 1.00 51.10 H new ATOM 0 HG21 VAL A 41 -12.460 -4.215 -3.113 1.00 70.50 H new ATOM 0 HG22 VAL A 41 -13.629 -5.177 -2.178 1.00 70.50 H new ATOM 0 HG23 VAL A 41 -12.544 -4.039 -1.344 1.00 70.50 H new ATOM 624 N GLY A 42 -11.101 -8.821 -0.231 1.00 64.44 N ATOM 625 CA GLY A 42 -10.095 -9.805 0.016 1.00 4.33 C ATOM 626 C GLY A 42 -9.969 -10.798 -1.096 1.00 44.24 C ATOM 627 O GLY A 42 -10.813 -10.822 -2.010 1.00 51.13 O ATOM 0 H GLY A 42 -12.065 -9.144 -0.157 1.00 64.44 H new ATOM 0 HA2 GLY A 42 -9.136 -9.308 0.164 1.00 4.33 H new ATOM 0 HA3 GLY A 42 -10.327 -10.331 0.942 1.00 4.33 H new ATOM 631 N ASN A 43 -8.933 -11.638 -0.992 1.00 45.22 N ATOM 632 CA ASN A 43 -8.597 -12.692 -2.002 1.00 64.01 C ATOM 633 C ASN A 43 -8.279 -12.048 -3.366 1.00 12.41 C ATOM 634 O ASN A 43 -8.535 -12.607 -4.426 1.00 12.13 O ATOM 635 CB ASN A 43 -9.761 -13.727 -2.110 1.00 41.23 C ATOM 636 CG ASN A 43 -9.417 -14.959 -2.959 1.00 71.45 C ATOM 637 OD1 ASN A 43 -8.257 -15.360 -3.058 1.00 3.43 O ATOM 638 ND2 ASN A 43 -10.413 -15.571 -3.553 1.00 61.24 N ATOM 0 H ASN A 43 -8.287 -11.619 -0.203 1.00 45.22 H new ATOM 0 HA ASN A 43 -7.705 -13.227 -1.675 1.00 64.01 H new ATOM 0 HB2 ASN A 43 -10.038 -14.054 -1.108 1.00 41.23 H new ATOM 0 HB3 ASN A 43 -10.634 -13.235 -2.538 1.00 41.23 H new ATOM 0 HD21 ASN A 43 -10.237 -16.403 -4.116 1.00 61.24 H new ATOM 0 HD22 ASN A 43 -11.363 -15.215 -3.452 1.00 61.24 H new ATOM 645 N VAL A 44 -7.678 -10.875 -3.303 1.00 35.25 N ATOM 646 CA VAL A 44 -7.302 -10.105 -4.497 1.00 24.32 C ATOM 647 C VAL A 44 -5.846 -10.457 -4.965 1.00 43.40 C ATOM 648 O VAL A 44 -5.252 -9.792 -5.823 1.00 11.40 O ATOM 649 CB VAL A 44 -7.438 -8.600 -4.211 1.00 2.14 C ATOM 650 CG1 VAL A 44 -6.385 -8.125 -3.241 1.00 64.42 C ATOM 651 CG2 VAL A 44 -7.428 -7.803 -5.475 1.00 64.23 C ATOM 0 H VAL A 44 -7.431 -10.419 -2.425 1.00 35.25 H new ATOM 0 HA VAL A 44 -7.979 -10.372 -5.309 1.00 24.32 H new ATOM 0 HB VAL A 44 -8.406 -8.441 -3.736 1.00 2.14 H new ATOM 0 HG11 VAL A 44 -6.511 -7.057 -3.062 1.00 64.42 H new ATOM 0 HG12 VAL A 44 -6.487 -8.666 -2.300 1.00 64.42 H new ATOM 0 HG13 VAL A 44 -5.395 -8.309 -3.660 1.00 64.42 H new ATOM 0 HG21 VAL A 44 -7.526 -6.744 -5.238 1.00 64.23 H new ATOM 0 HG22 VAL A 44 -6.490 -7.971 -6.004 1.00 64.23 H new ATOM 0 HG23 VAL A 44 -8.261 -8.112 -6.106 1.00 64.23 H new ATOM 661 N ASP A 45 -5.365 -11.537 -4.417 1.00 43.15 N ATOM 662 CA ASP A 45 -4.022 -12.126 -4.597 1.00 31.01 C ATOM 663 C ASP A 45 -3.450 -12.003 -6.026 1.00 21.44 C ATOM 664 O ASP A 45 -3.957 -12.631 -6.966 1.00 24.44 O ATOM 665 CB ASP A 45 -4.162 -13.637 -4.344 1.00 51.02 C ATOM 666 CG ASP A 45 -4.715 -14.048 -2.977 1.00 51.22 C ATOM 667 OD1 ASP A 45 -5.492 -13.292 -2.365 1.00 64.45 O ATOM 668 OD2 ASP A 45 -4.425 -15.179 -2.533 1.00 25.24 O ATOM 0 H ASP A 45 -5.931 -12.092 -3.775 1.00 43.15 H new ATOM 0 HA ASP A 45 -3.355 -11.592 -3.920 1.00 31.01 H new ATOM 0 HB2 ASP A 45 -4.810 -14.054 -5.115 1.00 51.02 H new ATOM 0 HB3 ASP A 45 -3.182 -14.097 -4.469 1.00 51.02 H new ATOM 673 N TYR A 46 -2.375 -11.184 -6.160 1.00 1.30 N ATOM 674 CA TYR A 46 -1.546 -10.990 -7.390 1.00 1.55 C ATOM 675 C TYR A 46 -2.162 -10.690 -8.755 1.00 2.04 C ATOM 676 O TYR A 46 -1.660 -9.813 -9.453 1.00 74.12 O ATOM 677 CB TYR A 46 -0.308 -11.880 -7.468 1.00 64.21 C ATOM 678 CG TYR A 46 0.854 -11.317 -6.684 1.00 32.12 C ATOM 679 CD1 TYR A 46 1.715 -10.404 -7.284 1.00 51.20 C ATOM 680 CD2 TYR A 46 1.084 -11.663 -5.363 1.00 42.23 C ATOM 681 CE1 TYR A 46 2.772 -9.857 -6.597 1.00 14.44 C ATOM 682 CE2 TYR A 46 2.146 -11.113 -4.663 1.00 74.33 C ATOM 683 CZ TYR A 46 2.986 -10.209 -5.290 1.00 64.04 C ATOM 684 OH TYR A 46 4.037 -9.653 -4.602 1.00 23.24 O ATOM 0 H TYR A 46 -2.043 -10.613 -5.382 1.00 1.30 H new ATOM 0 HA TYR A 46 -1.256 -9.968 -7.147 1.00 1.55 H new ATOM 0 HB2 TYR A 46 -0.552 -12.872 -7.089 1.00 64.21 H new ATOM 0 HB3 TYR A 46 -0.015 -12.001 -8.511 1.00 64.21 H new ATOM 0 HD1 TYR A 46 1.549 -10.119 -8.312 1.00 51.20 H new ATOM 0 HD2 TYR A 46 0.429 -12.369 -4.873 1.00 42.23 H new ATOM 0 HE1 TYR A 46 3.431 -9.153 -7.085 1.00 14.44 H new ATOM 0 HE2 TYR A 46 2.317 -11.388 -3.633 1.00 74.33 H new ATOM 0 HH TYR A 46 4.052 -10.005 -3.687 1.00 23.24 H new ATOM 694 N GLY A 47 -3.212 -11.364 -9.141 1.00 1.12 N ATOM 695 CA GLY A 47 -3.766 -11.175 -10.483 1.00 30.00 C ATOM 696 C GLY A 47 -4.489 -9.858 -10.652 1.00 11.44 C ATOM 697 O GLY A 47 -5.025 -9.559 -11.716 1.00 1.33 O ATOM 0 H GLY A 47 -3.706 -12.044 -8.564 1.00 1.12 H new ATOM 0 HA2 GLY A 47 -2.959 -11.235 -11.213 1.00 30.00 H new ATOM 0 HA3 GLY A 47 -4.455 -11.991 -10.702 1.00 30.00 H new ATOM 701 N SER A 48 -4.522 -9.087 -9.621 1.00 43.43 N ATOM 702 CA SER A 48 -5.164 -7.833 -9.649 1.00 54.34 C ATOM 703 C SER A 48 -4.230 -6.757 -9.116 1.00 43.20 C ATOM 704 O SER A 48 -3.519 -6.965 -8.135 1.00 3.02 O ATOM 705 CB SER A 48 -6.440 -7.947 -8.856 1.00 44.32 C ATOM 706 OG SER A 48 -7.255 -8.951 -9.433 1.00 64.14 O ATOM 0 H SER A 48 -4.095 -9.320 -8.724 1.00 43.43 H new ATOM 0 HA SER A 48 -5.417 -7.539 -10.668 1.00 54.34 H new ATOM 0 HB2 SER A 48 -6.217 -8.194 -7.818 1.00 44.32 H new ATOM 0 HB3 SER A 48 -6.966 -6.992 -8.851 1.00 44.32 H new ATOM 0 HG SER A 48 -7.709 -8.590 -10.223 1.00 64.14 H new ATOM 712 N THR A 49 -4.219 -5.634 -9.785 1.00 61.31 N ATOM 713 CA THR A 49 -3.343 -4.544 -9.453 1.00 54.42 C ATOM 714 C THR A 49 -4.184 -3.307 -9.250 1.00 2.33 C ATOM 715 O THR A 49 -5.400 -3.376 -9.425 1.00 61.14 O ATOM 716 CB THR A 49 -2.337 -4.292 -10.578 1.00 35.21 C ATOM 717 OG1 THR A 49 -3.022 -3.826 -11.749 1.00 64.31 O ATOM 718 CG2 THR A 49 -1.592 -5.572 -10.912 1.00 55.33 C ATOM 0 H THR A 49 -4.825 -5.450 -10.584 1.00 61.31 H new ATOM 0 HA THR A 49 -2.789 -4.790 -8.547 1.00 54.42 H new ATOM 0 HB THR A 49 -1.625 -3.537 -10.245 1.00 35.21 H new ATOM 0 HG1 THR A 49 -3.402 -4.590 -12.231 1.00 64.31 H new ATOM 0 HG21 THR A 49 -0.879 -5.379 -11.714 1.00 55.33 H new ATOM 0 HG22 THR A 49 -1.058 -5.923 -10.029 1.00 55.33 H new ATOM 0 HG23 THR A 49 -2.303 -6.333 -11.233 1.00 55.33 H new ATOM 726 N ALA A 50 -3.569 -2.170 -8.918 1.00 22.41 N ATOM 727 CA ALA A 50 -4.317 -0.954 -8.654 1.00 63.20 C ATOM 728 C ALA A 50 -5.136 -0.532 -9.879 1.00 32.30 C ATOM 729 O ALA A 50 -6.308 -0.274 -9.750 1.00 33.53 O ATOM 730 CB ALA A 50 -3.368 0.148 -8.211 1.00 54.13 C ATOM 0 H ALA A 50 -2.558 -2.073 -8.828 1.00 22.41 H new ATOM 0 HA ALA A 50 -5.025 -1.144 -7.847 1.00 63.20 H new ATOM 0 HB1 ALA A 50 -3.934 1.058 -8.014 1.00 54.13 H new ATOM 0 HB2 ALA A 50 -2.850 -0.161 -7.303 1.00 54.13 H new ATOM 0 HB3 ALA A 50 -2.638 0.338 -8.998 1.00 54.13 H new ATOM 736 N GLN A 51 -4.516 -0.470 -11.061 1.00 62.22 N ATOM 737 CA GLN A 51 -5.254 -0.124 -12.296 1.00 33.31 C ATOM 738 C GLN A 51 -6.421 -1.088 -12.587 1.00 12.51 C ATOM 739 O GLN A 51 -7.503 -0.648 -13.000 1.00 11.42 O ATOM 740 CB GLN A 51 -4.318 -0.047 -13.507 1.00 63.30 C ATOM 741 CG GLN A 51 -3.281 1.064 -13.423 1.00 63.30 C ATOM 742 CD GLN A 51 -2.372 1.116 -14.639 1.00 22.42 C ATOM 743 OE1 GLN A 51 -2.685 1.758 -15.636 1.00 2.32 O ATOM 744 NE2 GLN A 51 -1.232 0.498 -14.552 1.00 22.42 N ATOM 0 H GLN A 51 -3.521 -0.650 -11.197 1.00 62.22 H new ATOM 0 HA GLN A 51 -5.684 0.862 -12.120 1.00 33.31 H new ATOM 0 HB2 GLN A 51 -3.803 -1.002 -13.616 1.00 63.30 H new ATOM 0 HB3 GLN A 51 -4.917 0.097 -14.406 1.00 63.30 H new ATOM 0 HG2 GLN A 51 -3.790 2.022 -13.315 1.00 63.30 H new ATOM 0 HG3 GLN A 51 -2.675 0.922 -12.528 1.00 63.30 H new ATOM 0 HE21 GLN A 51 -1.000 -0.028 -13.709 1.00 22.42 H new ATOM 0 HE22 GLN A 51 -0.569 0.539 -15.326 1.00 22.42 H new ATOM 753 N ASP A 52 -6.200 -2.388 -12.376 1.00 23.10 N ATOM 754 CA ASP A 52 -7.279 -3.394 -12.569 1.00 53.13 C ATOM 755 C ASP A 52 -8.404 -3.138 -11.602 1.00 1.50 C ATOM 756 O ASP A 52 -9.597 -3.144 -11.962 1.00 14.44 O ATOM 757 CB ASP A 52 -6.803 -4.837 -12.322 1.00 63.31 C ATOM 758 CG ASP A 52 -5.778 -5.351 -13.285 1.00 4.21 C ATOM 759 OD1 ASP A 52 -6.135 -5.682 -14.432 1.00 33.22 O ATOM 760 OD2 ASP A 52 -4.608 -5.468 -12.893 1.00 51.33 O ATOM 0 H ASP A 52 -5.305 -2.776 -12.077 1.00 23.10 H new ATOM 0 HA ASP A 52 -7.598 -3.293 -13.606 1.00 53.13 H new ATOM 0 HB2 ASP A 52 -6.392 -4.898 -11.314 1.00 63.31 H new ATOM 0 HB3 ASP A 52 -7.670 -5.497 -12.354 1.00 63.31 H new ATOM 765 N LEU A 53 -8.022 -2.886 -10.385 1.00 3.25 N ATOM 766 CA LEU A 53 -8.945 -2.722 -9.315 1.00 35.44 C ATOM 767 C LEU A 53 -9.685 -1.418 -9.390 1.00 14.40 C ATOM 768 O LEU A 53 -10.900 -1.404 -9.271 1.00 73.24 O ATOM 769 CB LEU A 53 -8.237 -2.862 -7.980 1.00 31.14 C ATOM 770 CG LEU A 53 -7.739 -4.250 -7.618 1.00 63.11 C ATOM 771 CD1 LEU A 53 -7.089 -4.207 -6.261 1.00 2.22 C ATOM 772 CD2 LEU A 53 -8.887 -5.257 -7.629 1.00 21.22 C ATOM 0 H LEU A 53 -7.045 -2.788 -10.110 1.00 3.25 H new ATOM 0 HA LEU A 53 -9.689 -3.513 -9.408 1.00 35.44 H new ATOM 0 HB2 LEU A 53 -7.385 -2.182 -7.973 1.00 31.14 H new ATOM 0 HB3 LEU A 53 -8.918 -2.529 -7.197 1.00 31.14 H new ATOM 0 HG LEU A 53 -7.007 -4.570 -8.359 1.00 63.11 H new ATOM 0 HD11 LEU A 53 -6.730 -5.202 -5.998 1.00 2.22 H new ATOM 0 HD12 LEU A 53 -6.249 -3.512 -6.282 1.00 2.22 H new ATOM 0 HD13 LEU A 53 -7.816 -3.876 -5.520 1.00 2.22 H new ATOM 0 HD21 LEU A 53 -8.507 -6.245 -7.367 1.00 21.22 H new ATOM 0 HD22 LEU A 53 -9.643 -4.955 -6.904 1.00 21.22 H new ATOM 0 HD23 LEU A 53 -9.331 -5.291 -8.624 1.00 21.22 H new ATOM 784 N GLU A 54 -8.974 -0.332 -9.623 1.00 34.21 N ATOM 785 CA GLU A 54 -9.555 0.996 -9.652 1.00 44.10 C ATOM 786 C GLU A 54 -10.655 1.067 -10.680 1.00 74.35 C ATOM 787 O GLU A 54 -11.728 1.491 -10.363 1.00 42.03 O ATOM 788 CB GLU A 54 -8.414 1.985 -9.963 1.00 3.24 C ATOM 789 CG GLU A 54 -8.698 3.488 -9.853 1.00 14.23 C ATOM 790 CD GLU A 54 -9.623 4.054 -10.908 1.00 42.24 C ATOM 791 OE1 GLU A 54 -9.357 3.853 -12.103 1.00 13.33 O ATOM 792 OE2 GLU A 54 -10.560 4.784 -10.555 1.00 52.30 O ATOM 0 H GLU A 54 -7.969 -0.347 -9.799 1.00 34.21 H new ATOM 0 HA GLU A 54 -10.011 1.248 -8.694 1.00 44.10 H new ATOM 0 HB2 GLU A 54 -7.584 1.755 -9.295 1.00 3.24 H new ATOM 0 HB3 GLU A 54 -8.070 1.786 -10.978 1.00 3.24 H new ATOM 0 HG2 GLU A 54 -9.129 3.688 -8.872 1.00 14.23 H new ATOM 0 HG3 GLU A 54 -7.750 4.024 -9.900 1.00 14.23 H new ATOM 799 N ALA A 55 -10.394 0.597 -11.883 1.00 12.11 N ATOM 800 CA ALA A 55 -11.425 0.558 -12.921 1.00 33.42 C ATOM 801 C ALA A 55 -12.651 -0.229 -12.440 1.00 3.52 C ATOM 802 O ALA A 55 -13.829 0.210 -12.599 1.00 43.02 O ATOM 803 CB ALA A 55 -10.867 -0.056 -14.192 1.00 22.20 C ATOM 0 H ALA A 55 -9.485 0.237 -12.173 1.00 12.11 H new ATOM 0 HA ALA A 55 -11.738 1.580 -13.134 1.00 33.42 H new ATOM 0 HB1 ALA A 55 -11.644 -0.079 -14.956 1.00 22.20 H new ATOM 0 HB2 ALA A 55 -10.027 0.541 -14.546 1.00 22.20 H new ATOM 0 HB3 ALA A 55 -10.529 -1.072 -13.987 1.00 22.20 H new ATOM 809 N HIS A 56 -12.383 -1.347 -11.788 1.00 0.30 N ATOM 810 CA HIS A 56 -13.443 -2.214 -11.338 1.00 71.20 C ATOM 811 C HIS A 56 -14.268 -1.555 -10.217 1.00 32.32 C ATOM 812 O HIS A 56 -15.492 -1.605 -10.245 1.00 21.31 O ATOM 813 CB HIS A 56 -12.908 -3.597 -10.907 1.00 61.01 C ATOM 814 CG HIS A 56 -13.993 -4.609 -10.637 1.00 4.30 C ATOM 815 ND1 HIS A 56 -14.340 -5.598 -11.530 1.00 42.31 N ATOM 816 CD2 HIS A 56 -14.812 -4.765 -9.577 1.00 24.33 C ATOM 817 CE1 HIS A 56 -15.330 -6.308 -11.035 1.00 52.14 C ATOM 818 NE2 HIS A 56 -15.637 -5.824 -9.846 1.00 51.23 N ATOM 0 H HIS A 56 -11.442 -1.670 -11.562 1.00 0.30 H new ATOM 0 HA HIS A 56 -14.109 -2.377 -12.185 1.00 71.20 H new ATOM 0 HB2 HIS A 56 -12.250 -3.982 -11.687 1.00 61.01 H new ATOM 0 HB3 HIS A 56 -12.302 -3.479 -10.009 1.00 61.01 H new ATOM 0 HD2 HIS A 56 -14.816 -4.164 -8.680 1.00 24.33 H new ATOM 0 HE1 HIS A 56 -15.810 -7.145 -11.519 1.00 52.14 H new ATOM 0 HE2 HIS A 56 -16.368 -6.180 -9.230 1.00 51.23 H new ATOM 827 N PHE A 57 -13.611 -0.915 -9.250 1.00 13.20 N ATOM 828 CA PHE A 57 -14.333 -0.284 -8.156 1.00 34.12 C ATOM 829 C PHE A 57 -14.895 1.071 -8.568 1.00 71.25 C ATOM 830 O PHE A 57 -15.871 1.543 -7.998 1.00 43.44 O ATOM 831 CB PHE A 57 -13.463 -0.142 -6.918 1.00 71.12 C ATOM 832 CG PHE A 57 -12.937 -1.432 -6.399 1.00 11.31 C ATOM 833 CD1 PHE A 57 -13.777 -2.384 -5.859 1.00 33.45 C ATOM 834 CD2 PHE A 57 -11.594 -1.695 -6.441 1.00 23.24 C ATOM 835 CE1 PHE A 57 -13.260 -3.564 -5.379 1.00 54.22 C ATOM 836 CE2 PHE A 57 -11.095 -2.871 -5.961 1.00 24.05 C ATOM 837 CZ PHE A 57 -11.922 -3.793 -5.437 1.00 1.22 C ATOM 0 H PHE A 57 -12.596 -0.823 -9.205 1.00 13.20 H new ATOM 0 HA PHE A 57 -15.168 -0.939 -7.908 1.00 34.12 H new ATOM 0 HB2 PHE A 57 -12.624 0.514 -7.149 1.00 71.12 H new ATOM 0 HB3 PHE A 57 -14.042 0.345 -6.133 1.00 71.12 H new ATOM 0 HD1 PHE A 57 -14.841 -2.202 -5.813 1.00 33.45 H new ATOM 0 HD2 PHE A 57 -10.920 -0.962 -6.860 1.00 23.24 H new ATOM 0 HE1 PHE A 57 -13.917 -4.309 -4.956 1.00 54.22 H new ATOM 0 HE2 PHE A 57 -10.033 -3.062 -6.002 1.00 24.05 H new ATOM 0 HZ PHE A 57 -11.520 -4.722 -5.060 1.00 1.22 H new ATOM 847 N SER A 58 -14.295 1.674 -9.589 1.00 3.43 N ATOM 848 CA SER A 58 -14.692 2.991 -10.057 1.00 10.44 C ATOM 849 C SER A 58 -16.055 2.890 -10.707 1.00 41.23 C ATOM 850 O SER A 58 -16.805 3.870 -10.789 1.00 30.12 O ATOM 851 CB SER A 58 -13.662 3.569 -11.046 1.00 30.02 C ATOM 852 OG SER A 58 -13.975 4.904 -11.411 1.00 24.32 O ATOM 0 H SER A 58 -13.522 1.262 -10.112 1.00 3.43 H new ATOM 0 HA SER A 58 -14.739 3.670 -9.206 1.00 10.44 H new ATOM 0 HB2 SER A 58 -12.669 3.538 -10.597 1.00 30.02 H new ATOM 0 HB3 SER A 58 -13.627 2.946 -11.940 1.00 30.02 H new ATOM 0 HG SER A 58 -13.300 5.239 -12.038 1.00 24.32 H new ATOM 858 N SER A 59 -16.389 1.702 -11.175 1.00 12.24 N ATOM 859 CA SER A 59 -17.691 1.464 -11.719 1.00 50.35 C ATOM 860 C SER A 59 -18.795 1.652 -10.622 1.00 55.11 C ATOM 861 O SER A 59 -19.957 1.907 -10.936 1.00 20.22 O ATOM 862 CB SER A 59 -17.731 0.056 -12.318 1.00 4.14 C ATOM 863 OG SER A 59 -16.713 -0.107 -13.324 1.00 43.55 O ATOM 0 H SER A 59 -15.768 0.893 -11.185 1.00 12.24 H new ATOM 0 HA SER A 59 -17.896 2.189 -12.507 1.00 50.35 H new ATOM 0 HB2 SER A 59 -17.589 -0.683 -11.529 1.00 4.14 H new ATOM 0 HB3 SER A 59 -18.712 -0.129 -12.755 1.00 4.14 H new ATOM 0 HG SER A 59 -15.828 -0.048 -12.907 1.00 43.55 H new ATOM 869 N CYS A 60 -18.406 1.527 -9.342 1.00 5.24 N ATOM 870 CA CYS A 60 -19.323 1.725 -8.214 1.00 61.32 C ATOM 871 C CYS A 60 -19.232 3.146 -7.609 1.00 34.53 C ATOM 872 O CYS A 60 -19.866 3.426 -6.586 1.00 74.25 O ATOM 873 CB CYS A 60 -19.040 0.686 -7.121 1.00 13.51 C ATOM 874 SG CYS A 60 -19.206 -1.033 -7.653 1.00 10.21 S ATOM 0 H CYS A 60 -17.454 1.288 -9.065 1.00 5.24 H new ATOM 0 HA CYS A 60 -20.334 1.601 -8.603 1.00 61.32 H new ATOM 0 HB2 CYS A 60 -18.028 0.840 -6.745 1.00 13.51 H new ATOM 0 HB3 CYS A 60 -19.720 0.861 -6.287 1.00 13.51 H new ATOM 0 HG CYS A 60 -18.028 -1.532 -7.883 1.00 10.21 H new ATOM 880 N GLY A 61 -18.487 4.044 -8.238 1.00 41.43 N ATOM 881 CA GLY A 61 -18.357 5.386 -7.680 1.00 32.25 C ATOM 882 C GLY A 61 -16.977 5.989 -7.850 1.00 22.31 C ATOM 883 O GLY A 61 -16.195 5.543 -8.675 1.00 65.24 O ATOM 0 H GLY A 61 -17.978 3.879 -9.106 1.00 41.43 H new ATOM 0 HA2 GLY A 61 -19.089 6.039 -8.155 1.00 32.25 H new ATOM 0 HA3 GLY A 61 -18.600 5.353 -6.618 1.00 32.25 H new ATOM 887 N SER A 62 -16.680 7.006 -7.071 1.00 25.43 N ATOM 888 CA SER A 62 -15.411 7.692 -7.158 1.00 22.03 C ATOM 889 C SER A 62 -14.482 7.181 -6.060 1.00 23.45 C ATOM 890 O SER A 62 -14.874 7.100 -4.897 1.00 12.12 O ATOM 891 CB SER A 62 -15.641 9.191 -6.985 1.00 63.54 C ATOM 892 OG SER A 62 -16.636 9.655 -7.895 1.00 61.35 O ATOM 0 H SER A 62 -17.310 7.379 -6.361 1.00 25.43 H new ATOM 0 HA SER A 62 -14.954 7.504 -8.130 1.00 22.03 H new ATOM 0 HB2 SER A 62 -15.951 9.401 -5.961 1.00 63.54 H new ATOM 0 HB3 SER A 62 -14.708 9.729 -7.153 1.00 63.54 H new ATOM 0 HG SER A 62 -16.772 10.617 -7.769 1.00 61.35 H new ATOM 898 N ILE A 63 -13.288 6.815 -6.429 1.00 45.31 N ATOM 899 CA ILE A 63 -12.313 6.302 -5.477 1.00 65.24 C ATOM 900 C ILE A 63 -11.512 7.419 -4.768 1.00 62.41 C ATOM 901 O ILE A 63 -11.031 8.366 -5.401 1.00 42.22 O ATOM 902 CB ILE A 63 -11.376 5.282 -6.165 1.00 22.40 C ATOM 903 CG1 ILE A 63 -12.209 4.088 -6.649 1.00 2.01 C ATOM 904 CG2 ILE A 63 -10.251 4.829 -5.240 1.00 24.23 C ATOM 905 CD1 ILE A 63 -11.417 3.036 -7.364 1.00 41.11 C ATOM 0 H ILE A 63 -12.952 6.859 -7.391 1.00 45.31 H new ATOM 0 HA ILE A 63 -12.871 5.793 -4.691 1.00 65.24 H new ATOM 0 HB ILE A 63 -10.899 5.764 -7.018 1.00 22.40 H new ATOM 0 HG12 ILE A 63 -12.704 3.633 -5.791 1.00 2.01 H new ATOM 0 HG13 ILE A 63 -12.992 4.452 -7.314 1.00 2.01 H new ATOM 0 HG21 ILE A 63 -9.616 4.113 -5.762 1.00 24.23 H new ATOM 0 HG22 ILE A 63 -9.656 5.692 -4.942 1.00 24.23 H new ATOM 0 HG23 ILE A 63 -10.676 4.358 -4.354 1.00 24.23 H new ATOM 0 HD11 ILE A 63 -12.080 2.228 -7.673 1.00 41.11 H new ATOM 0 HD12 ILE A 63 -10.943 3.472 -8.243 1.00 41.11 H new ATOM 0 HD13 ILE A 63 -10.651 2.641 -6.697 1.00 41.11 H new ATOM 917 N ASN A 64 -11.407 7.283 -3.451 1.00 4.04 N ATOM 918 CA ASN A 64 -10.666 8.199 -2.566 1.00 62.40 C ATOM 919 C ASN A 64 -9.252 7.631 -2.361 1.00 54.01 C ATOM 920 O ASN A 64 -8.250 8.329 -2.520 1.00 45.35 O ATOM 921 CB ASN A 64 -11.390 8.260 -1.195 1.00 63.02 C ATOM 922 CG ASN A 64 -10.762 9.188 -0.160 1.00 41.12 C ATOM 923 OD1 ASN A 64 -9.817 8.827 0.525 1.00 64.44 O ATOM 924 ND2 ASN A 64 -11.351 10.346 0.033 1.00 40.14 N ATOM 0 H ASN A 64 -11.845 6.512 -2.946 1.00 4.04 H new ATOM 0 HA ASN A 64 -10.614 9.196 -3.002 1.00 62.40 H new ATOM 0 HB2 ASN A 64 -12.420 8.575 -1.362 1.00 63.02 H new ATOM 0 HB3 ASN A 64 -11.428 7.253 -0.779 1.00 63.02 H new ATOM 0 HD21 ASN A 64 -11.021 10.969 0.770 1.00 40.14 H new ATOM 0 HD22 ASN A 64 -12.138 10.622 -0.554 1.00 40.14 H new ATOM 931 N ARG A 65 -9.194 6.349 -2.044 1.00 23.14 N ATOM 932 CA ARG A 65 -7.936 5.644 -1.815 1.00 64.03 C ATOM 933 C ARG A 65 -8.096 4.206 -2.235 1.00 1.12 C ATOM 934 O ARG A 65 -9.205 3.705 -2.325 1.00 63.30 O ATOM 935 CB ARG A 65 -7.529 5.608 -0.341 1.00 1.10 C ATOM 936 CG ARG A 65 -7.315 6.921 0.382 1.00 24.54 C ATOM 937 CD ARG A 65 -6.897 6.597 1.807 1.00 12.40 C ATOM 938 NE ARG A 65 -6.592 7.767 2.635 1.00 24.24 N ATOM 939 CZ ARG A 65 -6.354 7.679 3.965 1.00 72.21 C ATOM 940 NH1 ARG A 65 -6.473 6.502 4.584 1.00 5.11 N ATOM 941 NH2 ARG A 65 -6.010 8.757 4.666 1.00 21.11 N ATOM 0 H ARG A 65 -10.021 5.761 -1.937 1.00 23.14 H new ATOM 0 HA ARG A 65 -7.177 6.179 -2.386 1.00 64.03 H new ATOM 0 HB2 ARG A 65 -8.294 5.052 0.201 1.00 1.10 H new ATOM 0 HB3 ARG A 65 -6.605 5.034 -0.266 1.00 1.10 H new ATOM 0 HG2 ARG A 65 -6.548 7.513 -0.117 1.00 24.54 H new ATOM 0 HG3 ARG A 65 -8.229 7.515 0.376 1.00 24.54 H new ATOM 0 HD2 ARG A 65 -7.694 6.028 2.285 1.00 12.40 H new ATOM 0 HD3 ARG A 65 -6.019 5.951 1.776 1.00 12.40 H new ATOM 0 HE ARG A 65 -6.558 8.685 2.191 1.00 24.24 H new ATOM 0 HH11 ARG A 65 -6.742 5.673 4.055 1.00 5.11 H new ATOM 0 HH12 ARG A 65 -6.294 6.432 5.586 1.00 5.11 H new ATOM 0 HH21 ARG A 65 -5.923 9.661 4.202 1.00 21.11 H new ATOM 0 HH22 ARG A 65 -5.833 8.679 5.668 1.00 21.11 H new ATOM 955 N ILE A 66 -7.004 3.566 -2.497 1.00 30.33 N ATOM 956 CA ILE A 66 -6.967 2.160 -2.788 1.00 50.34 C ATOM 957 C ILE A 66 -5.656 1.566 -2.322 1.00 23.44 C ATOM 958 O ILE A 66 -4.601 2.063 -2.653 1.00 32.23 O ATOM 959 CB ILE A 66 -7.343 1.808 -4.268 1.00 13.03 C ATOM 960 CG1 ILE A 66 -6.910 0.378 -4.659 1.00 15.52 C ATOM 961 CG2 ILE A 66 -6.911 2.850 -5.263 1.00 42.45 C ATOM 962 CD1 ILE A 66 -7.206 0.005 -6.097 1.00 54.15 C ATOM 0 H ILE A 66 -6.087 4.012 -2.517 1.00 30.33 H new ATOM 0 HA ILE A 66 -7.761 1.682 -2.215 1.00 50.34 H new ATOM 0 HB ILE A 66 -8.432 1.819 -4.308 1.00 13.03 H new ATOM 0 HG12 ILE A 66 -5.839 0.275 -4.483 1.00 15.52 H new ATOM 0 HG13 ILE A 66 -7.411 -0.333 -4.002 1.00 15.52 H new ATOM 0 HG21 ILE A 66 -7.204 2.539 -6.266 1.00 42.45 H new ATOM 0 HG22 ILE A 66 -7.387 3.801 -5.024 1.00 42.45 H new ATOM 0 HG23 ILE A 66 -5.828 2.966 -5.221 1.00 42.45 H new ATOM 0 HD11 ILE A 66 -6.869 -1.015 -6.285 1.00 54.15 H new ATOM 0 HD12 ILE A 66 -8.279 0.072 -6.277 1.00 54.15 H new ATOM 0 HD13 ILE A 66 -6.683 0.689 -6.765 1.00 54.15 H new ATOM 974 N THR A 67 -5.747 0.524 -1.557 1.00 45.15 N ATOM 975 CA THR A 67 -4.613 -0.097 -0.916 1.00 62.53 C ATOM 976 C THR A 67 -4.609 -1.568 -1.310 1.00 43.54 C ATOM 977 O THR A 67 -5.646 -2.205 -1.258 1.00 34.04 O ATOM 978 CB THR A 67 -4.783 -0.007 0.627 1.00 11.43 C ATOM 979 OG1 THR A 67 -5.033 1.365 1.007 1.00 4.14 O ATOM 980 CG2 THR A 67 -3.536 -0.501 1.350 1.00 41.33 C ATOM 0 H THR A 67 -6.633 0.063 -1.350 1.00 45.15 H new ATOM 0 HA THR A 67 -3.689 0.398 -1.216 1.00 62.53 H new ATOM 0 HB THR A 67 -5.624 -0.639 0.911 1.00 11.43 H new ATOM 0 HG1 THR A 67 -5.142 1.421 1.979 1.00 4.14 H new ATOM 0 HG21 THR A 67 -3.686 -0.426 2.427 1.00 41.33 H new ATOM 0 HG22 THR A 67 -3.348 -1.541 1.082 1.00 41.33 H new ATOM 0 HG23 THR A 67 -2.681 0.109 1.059 1.00 41.33 H new ATOM 988 N ILE A 68 -3.473 -2.104 -1.699 1.00 42.21 N ATOM 989 CA ILE A 68 -3.396 -3.507 -2.063 1.00 43.34 C ATOM 990 C ILE A 68 -2.211 -4.083 -1.320 1.00 10.31 C ATOM 991 O ILE A 68 -1.099 -3.591 -1.470 1.00 23.03 O ATOM 992 CB ILE A 68 -3.160 -3.778 -3.610 1.00 60.24 C ATOM 993 CG1 ILE A 68 -3.986 -2.859 -4.518 1.00 22.52 C ATOM 994 CG2 ILE A 68 -3.485 -5.226 -3.947 1.00 12.42 C ATOM 995 CD1 ILE A 68 -3.355 -1.502 -4.743 1.00 63.44 C ATOM 0 H ILE A 68 -2.592 -1.595 -1.772 1.00 42.21 H new ATOM 0 HA ILE A 68 -4.355 -3.960 -1.810 1.00 43.34 H new ATOM 0 HB ILE A 68 -2.107 -3.566 -3.798 1.00 60.24 H new ATOM 0 HG12 ILE A 68 -4.129 -3.348 -5.482 1.00 22.52 H new ATOM 0 HG13 ILE A 68 -4.975 -2.722 -4.080 1.00 22.52 H new ATOM 0 HG21 ILE A 68 -3.319 -5.398 -5.010 1.00 12.42 H new ATOM 0 HG22 ILE A 68 -2.841 -5.888 -3.367 1.00 12.42 H new ATOM 0 HG23 ILE A 68 -4.528 -5.431 -3.705 1.00 12.42 H new ATOM 0 HD11 ILE A 68 -3.995 -0.907 -5.394 1.00 63.44 H new ATOM 0 HD12 ILE A 68 -3.237 -0.993 -3.787 1.00 63.44 H new ATOM 0 HD13 ILE A 68 -2.378 -1.628 -5.210 1.00 63.44 H new ATOM 1007 N LEU A 69 -2.438 -5.065 -0.504 1.00 24.31 N ATOM 1008 CA LEU A 69 -1.352 -5.695 0.223 1.00 44.42 C ATOM 1009 C LEU A 69 -1.283 -7.152 -0.114 1.00 42.13 C ATOM 1010 O LEU A 69 -2.307 -7.822 -0.162 1.00 61.32 O ATOM 1011 CB LEU A 69 -1.383 -5.477 1.764 1.00 20.02 C ATOM 1012 CG LEU A 69 -2.604 -5.974 2.555 1.00 33.12 C ATOM 1013 CD1 LEU A 69 -2.305 -5.920 4.046 1.00 42.10 C ATOM 1014 CD2 LEU A 69 -3.803 -5.100 2.274 1.00 72.01 C ATOM 0 H LEU A 69 -3.361 -5.456 -0.317 1.00 24.31 H new ATOM 0 HA LEU A 69 -0.443 -5.193 -0.109 1.00 44.42 H new ATOM 0 HB2 LEU A 69 -0.499 -5.958 2.184 1.00 20.02 H new ATOM 0 HB3 LEU A 69 -1.282 -4.407 1.949 1.00 20.02 H new ATOM 0 HG LEU A 69 -2.819 -6.998 2.250 1.00 33.12 H new ATOM 0 HD11 LEU A 69 -3.172 -6.273 4.604 1.00 42.10 H new ATOM 0 HD12 LEU A 69 -1.447 -6.555 4.268 1.00 42.10 H new ATOM 0 HD13 LEU A 69 -2.081 -4.893 4.335 1.00 42.10 H new ATOM 0 HD21 LEU A 69 -4.660 -5.464 2.841 1.00 72.01 H new ATOM 0 HD22 LEU A 69 -3.582 -4.074 2.569 1.00 72.01 H new ATOM 0 HD23 LEU A 69 -4.034 -5.130 1.209 1.00 72.01 H new ATOM 1026 N CYS A 70 -0.106 -7.632 -0.371 1.00 21.13 N ATOM 1027 CA CYS A 70 0.113 -9.021 -0.670 1.00 35.41 C ATOM 1028 C CYS A 70 0.993 -9.619 0.416 1.00 31.54 C ATOM 1029 O CYS A 70 2.070 -9.073 0.718 1.00 44.01 O ATOM 1030 CB CYS A 70 0.786 -9.150 -2.035 1.00 73.24 C ATOM 1031 SG CYS A 70 -0.172 -8.434 -3.393 1.00 11.12 S ATOM 0 H CYS A 70 0.743 -7.067 -0.380 1.00 21.13 H new ATOM 0 HA CYS A 70 -0.836 -9.556 -0.701 1.00 35.41 H new ATOM 0 HB2 CYS A 70 1.761 -8.665 -1.996 1.00 73.24 H new ATOM 0 HB3 CYS A 70 0.963 -10.205 -2.244 1.00 73.24 H new ATOM 0 HG CYS A 70 0.476 -8.588 -4.509 1.00 11.12 H new ATOM 1037 N ASP A 71 0.549 -10.706 1.024 1.00 73.54 N ATOM 1038 CA ASP A 71 1.303 -11.298 2.113 1.00 12.31 C ATOM 1039 C ASP A 71 2.010 -12.569 1.663 1.00 63.35 C ATOM 1040 O ASP A 71 1.393 -13.451 1.078 1.00 35.43 O ATOM 1041 CB ASP A 71 0.396 -11.564 3.343 1.00 60.43 C ATOM 1042 CG ASP A 71 -0.671 -12.620 3.129 1.00 65.44 C ATOM 1043 OD1 ASP A 71 -0.406 -13.816 3.377 1.00 11.53 O ATOM 1044 OD2 ASP A 71 -1.795 -12.270 2.752 1.00 41.13 O ATOM 0 H ASP A 71 -0.317 -11.190 0.786 1.00 73.54 H new ATOM 0 HA ASP A 71 2.068 -10.583 2.416 1.00 12.31 H new ATOM 0 HB2 ASP A 71 1.024 -11.866 4.181 1.00 60.43 H new ATOM 0 HB3 ASP A 71 -0.089 -10.630 3.628 1.00 60.43 H new ATOM 1049 N LYS A 72 3.324 -12.641 1.886 1.00 44.33 N ATOM 1050 CA LYS A 72 4.102 -13.836 1.545 1.00 22.22 C ATOM 1051 C LYS A 72 4.767 -14.460 2.750 1.00 10.00 C ATOM 1052 O LYS A 72 5.489 -15.440 2.611 1.00 52.31 O ATOM 1053 CB LYS A 72 5.196 -13.545 0.517 1.00 33.33 C ATOM 1054 CG LYS A 72 4.718 -13.210 -0.863 1.00 12.01 C ATOM 1055 CD LYS A 72 5.898 -13.101 -1.809 1.00 61.23 C ATOM 1056 CE LYS A 72 5.454 -12.908 -3.239 1.00 54.02 C ATOM 1057 NZ LYS A 72 6.592 -12.908 -4.180 1.00 4.15 N ATOM 0 H LYS A 72 3.872 -11.887 2.301 1.00 44.33 H new ATOM 0 HA LYS A 72 3.372 -14.529 1.127 1.00 22.22 H new ATOM 0 HB2 LYS A 72 5.802 -12.716 0.883 1.00 33.33 H new ATOM 0 HB3 LYS A 72 5.850 -14.414 0.454 1.00 33.33 H new ATOM 0 HG2 LYS A 72 4.029 -13.978 -1.215 1.00 12.01 H new ATOM 0 HG3 LYS A 72 4.166 -12.270 -0.847 1.00 12.01 H new ATOM 0 HD2 LYS A 72 6.529 -12.265 -1.508 1.00 61.23 H new ATOM 0 HD3 LYS A 72 6.507 -14.002 -1.736 1.00 61.23 H new ATOM 0 HE2 LYS A 72 4.759 -13.702 -3.512 1.00 54.02 H new ATOM 0 HE3 LYS A 72 4.913 -11.966 -3.326 1.00 54.02 H new ATOM 0 HZ1 LYS A 72 6.241 -12.773 -5.150 1.00 4.15 H new ATOM 0 HZ2 LYS A 72 7.244 -12.135 -3.937 1.00 4.15 H new ATOM 0 HZ3 LYS A 72 7.094 -13.817 -4.117 1.00 4.15 H new ATOM 1071 N PHE A 73 4.535 -13.910 3.922 1.00 61.12 N ATOM 1072 CA PHE A 73 5.194 -14.394 5.138 1.00 45.05 C ATOM 1073 C PHE A 73 4.959 -15.879 5.422 1.00 74.01 C ATOM 1074 O PHE A 73 5.791 -16.528 6.033 1.00 74.14 O ATOM 1075 CB PHE A 73 4.845 -13.530 6.359 1.00 24.01 C ATOM 1076 CG PHE A 73 3.396 -13.440 6.703 1.00 31.30 C ATOM 1077 CD1 PHE A 73 2.779 -14.427 7.455 1.00 35.54 C ATOM 1078 CD2 PHE A 73 2.654 -12.363 6.282 1.00 11.32 C ATOM 1079 CE1 PHE A 73 1.445 -14.338 7.776 1.00 12.34 C ATOM 1080 CE2 PHE A 73 1.317 -12.264 6.600 1.00 33.14 C ATOM 1081 CZ PHE A 73 0.714 -13.255 7.349 1.00 35.33 C ATOM 0 H PHE A 73 3.897 -13.128 4.069 1.00 61.12 H new ATOM 0 HA PHE A 73 6.262 -14.294 4.944 1.00 45.05 H new ATOM 0 HB2 PHE A 73 5.380 -13.924 7.223 1.00 24.01 H new ATOM 0 HB3 PHE A 73 5.220 -12.522 6.185 1.00 24.01 H new ATOM 0 HD1 PHE A 73 3.353 -15.277 7.793 1.00 35.54 H new ATOM 0 HD2 PHE A 73 3.123 -11.586 5.696 1.00 11.32 H new ATOM 0 HE1 PHE A 73 0.974 -15.115 8.360 1.00 12.34 H new ATOM 0 HE2 PHE A 73 0.742 -11.414 6.264 1.00 33.14 H new ATOM 0 HZ PHE A 73 -0.334 -13.179 7.600 1.00 35.33 H new ATOM 1091 N SER A 74 3.849 -16.411 4.971 1.00 13.44 N ATOM 1092 CA SER A 74 3.552 -17.792 5.222 1.00 32.22 C ATOM 1093 C SER A 74 3.957 -18.658 3.999 1.00 33.41 C ATOM 1094 O SER A 74 3.632 -19.850 3.920 1.00 3.20 O ATOM 1095 CB SER A 74 2.061 -17.950 5.573 1.00 42.40 C ATOM 1096 OG SER A 74 1.755 -19.268 5.998 1.00 64.40 O ATOM 0 H SER A 74 3.143 -15.909 4.432 1.00 13.44 H new ATOM 0 HA SER A 74 4.133 -18.143 6.075 1.00 32.22 H new ATOM 0 HB2 SER A 74 1.796 -17.244 6.360 1.00 42.40 H new ATOM 0 HB3 SER A 74 1.454 -17.699 4.703 1.00 42.40 H new ATOM 0 HG SER A 74 2.264 -19.911 5.462 1.00 64.40 H new ATOM 1102 N GLY A 75 4.681 -18.064 3.069 1.00 42.41 N ATOM 1103 CA GLY A 75 5.147 -18.789 1.912 1.00 2.11 C ATOM 1104 C GLY A 75 4.380 -18.444 0.663 1.00 2.24 C ATOM 1105 O GLY A 75 4.962 -18.022 -0.340 1.00 12.22 O ATOM 0 H GLY A 75 4.957 -17.082 3.096 1.00 42.41 H new ATOM 0 HA2 GLY A 75 6.204 -18.574 1.755 1.00 2.11 H new ATOM 0 HA3 GLY A 75 5.063 -19.859 2.101 1.00 2.11 H new ATOM 1109 N HIS A 76 3.083 -18.600 0.719 1.00 64.13 N ATOM 1110 CA HIS A 76 2.251 -18.345 -0.439 1.00 0.34 C ATOM 1111 C HIS A 76 1.688 -16.946 -0.401 1.00 73.43 C ATOM 1112 O HIS A 76 1.082 -16.547 0.598 1.00 72.30 O ATOM 1113 CB HIS A 76 1.134 -19.383 -0.585 1.00 52.23 C ATOM 1114 CG HIS A 76 1.647 -20.770 -0.808 1.00 75.22 C ATOM 1115 ND1 HIS A 76 1.594 -21.757 0.143 1.00 20.13 N ATOM 1116 CD2 HIS A 76 2.233 -21.326 -1.889 1.00 51.34 C ATOM 1117 CE1 HIS A 76 2.126 -22.857 -0.336 1.00 13.34 C ATOM 1118 NE2 HIS A 76 2.523 -22.625 -1.571 1.00 0.44 N ATOM 0 H HIS A 76 2.576 -18.902 1.551 1.00 64.13 H new ATOM 0 HA HIS A 76 2.888 -18.434 -1.319 1.00 0.34 H new ATOM 0 HB2 HIS A 76 0.515 -19.371 0.312 1.00 52.23 H new ATOM 0 HB3 HIS A 76 0.491 -19.101 -1.419 1.00 52.23 H new ATOM 0 HD2 HIS A 76 2.435 -20.837 -2.830 1.00 51.34 H new ATOM 0 HE1 HIS A 76 2.222 -23.794 0.193 1.00 13.34 H new ATOM 0 HE2 HIS A 76 2.972 -23.302 -2.188 1.00 0.44 H new ATOM 1127 N PRO A 77 1.909 -16.168 -1.476 1.00 51.43 N ATOM 1128 CA PRO A 77 1.410 -14.801 -1.579 1.00 52.14 C ATOM 1129 C PRO A 77 -0.102 -14.735 -1.686 1.00 33.21 C ATOM 1130 O PRO A 77 -0.702 -15.325 -2.606 1.00 32.22 O ATOM 1131 CB PRO A 77 2.029 -14.275 -2.885 1.00 63.40 C ATOM 1132 CG PRO A 77 2.401 -15.486 -3.663 1.00 31.14 C ATOM 1133 CD PRO A 77 2.695 -16.562 -2.662 1.00 51.20 C ATOM 0 HA PRO A 77 1.673 -14.225 -0.692 1.00 52.14 H new ATOM 0 HB2 PRO A 77 1.319 -13.658 -3.435 1.00 63.40 H new ATOM 0 HB3 PRO A 77 2.902 -13.654 -2.684 1.00 63.40 H new ATOM 0 HG2 PRO A 77 1.590 -15.785 -4.327 1.00 31.14 H new ATOM 0 HG3 PRO A 77 3.271 -15.292 -4.290 1.00 31.14 H new ATOM 0 HD2 PRO A 77 2.397 -17.543 -3.031 1.00 51.20 H new ATOM 0 HD3 PRO A 77 3.760 -16.617 -2.435 1.00 51.20 H new ATOM 1141 N LYS A 78 -0.719 -14.080 -0.736 1.00 52.12 N ATOM 1142 CA LYS A 78 -2.128 -13.795 -0.799 1.00 14.23 C ATOM 1143 C LYS A 78 -2.291 -12.298 -0.937 1.00 62.13 C ATOM 1144 O LYS A 78 -1.344 -11.615 -1.329 1.00 11.54 O ATOM 1145 CB LYS A 78 -2.826 -14.250 0.466 1.00 72.14 C ATOM 1146 CG LYS A 78 -2.532 -15.669 0.853 1.00 30.25 C ATOM 1147 CD LYS A 78 -3.601 -16.236 1.776 1.00 4.13 C ATOM 1148 CE LYS A 78 -3.830 -15.388 3.016 1.00 51.53 C ATOM 1149 NZ LYS A 78 -2.613 -15.233 3.830 1.00 31.23 N ATOM 0 H LYS A 78 -0.258 -13.729 0.103 1.00 52.12 H new ATOM 0 HA LYS A 78 -2.569 -14.323 -1.645 1.00 14.23 H new ATOM 0 HB2 LYS A 78 -2.533 -13.593 1.285 1.00 72.14 H new ATOM 0 HB3 LYS A 78 -3.902 -14.136 0.335 1.00 72.14 H new ATOM 0 HG2 LYS A 78 -2.463 -16.284 -0.044 1.00 30.25 H new ATOM 0 HG3 LYS A 78 -1.562 -15.717 1.348 1.00 30.25 H new ATOM 0 HD2 LYS A 78 -4.538 -16.324 1.226 1.00 4.13 H new ATOM 0 HD3 LYS A 78 -3.313 -17.243 2.080 1.00 4.13 H new ATOM 0 HE2 LYS A 78 -4.190 -14.404 2.717 1.00 51.53 H new ATOM 0 HE3 LYS A 78 -4.613 -15.843 3.623 1.00 51.53 H new ATOM 0 HZ1 LYS A 78 -2.833 -14.675 4.680 1.00 31.23 H new ATOM 0 HZ2 LYS A 78 -2.262 -16.171 4.112 1.00 31.23 H new ATOM 0 HZ3 LYS A 78 -1.883 -14.744 3.274 1.00 31.23 H new ATOM 1163 N GLY A 79 -3.458 -11.782 -0.621 1.00 63.22 N ATOM 1164 CA GLY A 79 -3.646 -10.376 -0.729 1.00 23.34 C ATOM 1165 C GLY A 79 -5.027 -9.893 -0.364 1.00 42.35 C ATOM 1166 O GLY A 79 -6.020 -10.623 -0.476 1.00 2.25 O ATOM 0 H GLY A 79 -4.267 -12.311 -0.295 1.00 63.22 H new ATOM 0 HA2 GLY A 79 -2.920 -9.876 -0.088 1.00 23.34 H new ATOM 0 HA3 GLY A 79 -3.429 -10.072 -1.753 1.00 23.34 H new ATOM 1170 N TYR A 80 -5.090 -8.666 0.071 1.00 63.01 N ATOM 1171 CA TYR A 80 -6.344 -8.002 0.360 1.00 71.51 C ATOM 1172 C TYR A 80 -6.214 -6.609 -0.228 1.00 44.33 C ATOM 1173 O TYR A 80 -5.098 -6.109 -0.385 1.00 4.31 O ATOM 1174 CB TYR A 80 -6.614 -7.817 1.861 1.00 21.13 C ATOM 1175 CG TYR A 80 -6.380 -8.979 2.786 1.00 3.41 C ATOM 1176 CD1 TYR A 80 -7.230 -10.073 2.829 1.00 40.21 C ATOM 1177 CD2 TYR A 80 -5.297 -8.957 3.652 1.00 63.54 C ATOM 1178 CE1 TYR A 80 -6.997 -11.111 3.713 1.00 20.31 C ATOM 1179 CE2 TYR A 80 -5.065 -9.976 4.528 1.00 34.02 C ATOM 1180 CZ TYR A 80 -5.911 -11.048 4.559 1.00 62.12 C ATOM 1181 OH TYR A 80 -5.673 -12.065 5.448 1.00 13.35 O ATOM 0 H TYR A 80 -4.267 -8.087 0.239 1.00 63.01 H new ATOM 0 HA TYR A 80 -7.154 -8.607 -0.047 1.00 71.51 H new ATOM 0 HB2 TYR A 80 -5.996 -6.989 2.208 1.00 21.13 H new ATOM 0 HB3 TYR A 80 -7.653 -7.509 1.974 1.00 21.13 H new ATOM 0 HD1 TYR A 80 -8.082 -10.115 2.166 1.00 40.21 H new ATOM 0 HD2 TYR A 80 -4.622 -8.114 3.632 1.00 63.54 H new ATOM 0 HE1 TYR A 80 -7.660 -11.963 3.740 1.00 20.31 H new ATOM 0 HE2 TYR A 80 -4.216 -9.936 5.194 1.00 34.02 H new ATOM 0 HH TYR A 80 -4.867 -11.863 5.968 1.00 13.35 H new ATOM 1191 N ALA A 81 -7.294 -6.017 -0.577 1.00 63.02 N ATOM 1192 CA ALA A 81 -7.301 -4.673 -1.069 1.00 72.15 C ATOM 1193 C ALA A 81 -8.368 -3.900 -0.339 1.00 3.31 C ATOM 1194 O ALA A 81 -9.485 -4.361 -0.195 1.00 61.22 O ATOM 1195 CB ALA A 81 -7.574 -4.665 -2.565 1.00 61.33 C ATOM 0 H ALA A 81 -8.216 -6.450 -0.532 1.00 63.02 H new ATOM 0 HA ALA A 81 -6.329 -4.210 -0.898 1.00 72.15 H new ATOM 0 HB1 ALA A 81 -7.577 -3.638 -2.929 1.00 61.33 H new ATOM 0 HB2 ALA A 81 -6.797 -5.230 -3.080 1.00 61.33 H new ATOM 0 HB3 ALA A 81 -8.544 -5.122 -2.760 1.00 61.33 H new ATOM 1201 N TYR A 82 -8.020 -2.755 0.149 1.00 30.40 N ATOM 1202 CA TYR A 82 -8.962 -1.910 0.827 1.00 61.41 C ATOM 1203 C TYR A 82 -9.116 -0.661 0.015 1.00 50.34 C ATOM 1204 O TYR A 82 -8.131 0.028 -0.260 1.00 41.04 O ATOM 1205 CB TYR A 82 -8.471 -1.547 2.229 1.00 11.03 C ATOM 1206 CG TYR A 82 -8.119 -2.735 3.097 1.00 33.11 C ATOM 1207 CD1 TYR A 82 -9.102 -3.523 3.689 1.00 65.53 C ATOM 1208 CD2 TYR A 82 -6.799 -3.048 3.339 1.00 13.14 C ATOM 1209 CE1 TYR A 82 -8.759 -4.604 4.500 1.00 11.23 C ATOM 1210 CE2 TYR A 82 -6.455 -4.114 4.138 1.00 42.43 C ATOM 1211 CZ TYR A 82 -7.430 -4.885 4.713 1.00 54.51 C ATOM 1212 OH TYR A 82 -7.072 -5.948 5.496 1.00 71.41 O ATOM 0 H TYR A 82 -7.076 -2.374 0.092 1.00 30.40 H new ATOM 0 HA TYR A 82 -9.912 -2.434 0.933 1.00 61.41 H new ATOM 0 HB2 TYR A 82 -7.594 -0.906 2.139 1.00 11.03 H new ATOM 0 HB3 TYR A 82 -9.242 -0.962 2.730 1.00 11.03 H new ATOM 0 HD1 TYR A 82 -10.144 -3.294 3.518 1.00 65.53 H new ATOM 0 HD2 TYR A 82 -6.021 -2.446 2.894 1.00 13.14 H new ATOM 0 HE1 TYR A 82 -9.527 -5.212 4.955 1.00 11.23 H new ATOM 0 HE2 TYR A 82 -5.414 -4.343 4.312 1.00 42.43 H new ATOM 0 HH TYR A 82 -6.095 -6.006 5.542 1.00 71.41 H new ATOM 1222 N ILE A 83 -10.303 -0.396 -0.415 1.00 65.12 N ATOM 1223 CA ILE A 83 -10.557 0.777 -1.229 1.00 71.33 C ATOM 1224 C ILE A 83 -11.440 1.735 -0.449 1.00 50.42 C ATOM 1225 O ILE A 83 -12.472 1.338 0.094 1.00 44.15 O ATOM 1226 CB ILE A 83 -11.251 0.432 -2.633 1.00 11.04 C ATOM 1227 CG1 ILE A 83 -10.384 -0.326 -3.652 1.00 2.43 C ATOM 1228 CG2 ILE A 83 -11.769 1.667 -3.325 1.00 14.32 C ATOM 1229 CD1 ILE A 83 -9.609 -1.508 -3.211 1.00 14.34 C ATOM 0 H ILE A 83 -11.125 -0.969 -0.224 1.00 65.12 H new ATOM 0 HA ILE A 83 -9.592 1.229 -1.458 1.00 71.33 H new ATOM 0 HB ILE A 83 -12.057 -0.236 -2.329 1.00 11.04 H new ATOM 0 HG12 ILE A 83 -11.038 -0.648 -4.463 1.00 2.43 H new ATOM 0 HG13 ILE A 83 -9.678 0.388 -4.076 1.00 2.43 H new ATOM 0 HG21 ILE A 83 -12.231 1.387 -4.272 1.00 14.32 H new ATOM 0 HG22 ILE A 83 -12.509 2.156 -2.691 1.00 14.32 H new ATOM 0 HG23 ILE A 83 -10.943 2.352 -3.513 1.00 14.32 H new ATOM 0 HD11 ILE A 83 -9.057 -1.917 -4.057 1.00 14.34 H new ATOM 0 HD12 ILE A 83 -8.909 -1.213 -2.429 1.00 14.34 H new ATOM 0 HD13 ILE A 83 -10.290 -2.265 -2.822 1.00 14.34 H new ATOM 1241 N GLU A 84 -11.025 2.961 -0.377 1.00 64.14 N ATOM 1242 CA GLU A 84 -11.813 3.988 0.230 1.00 52.14 C ATOM 1243 C GLU A 84 -12.488 4.744 -0.879 1.00 61.30 C ATOM 1244 O GLU A 84 -11.825 5.213 -1.804 1.00 33.11 O ATOM 1245 CB GLU A 84 -10.975 4.971 1.086 1.00 74.24 C ATOM 1246 CG GLU A 84 -10.382 4.429 2.400 1.00 42.03 C ATOM 1247 CD GLU A 84 -9.368 3.310 2.251 1.00 64.32 C ATOM 1248 OE1 GLU A 84 -8.200 3.590 1.989 1.00 31.02 O ATOM 1249 OE2 GLU A 84 -9.725 2.152 2.449 1.00 14.11 O ATOM 0 H GLU A 84 -10.126 3.279 -0.739 1.00 64.14 H new ATOM 0 HA GLU A 84 -12.527 3.522 0.909 1.00 52.14 H new ATOM 0 HB2 GLU A 84 -10.154 5.339 0.471 1.00 74.24 H new ATOM 0 HB3 GLU A 84 -11.603 5.829 1.327 1.00 74.24 H new ATOM 0 HG2 GLU A 84 -9.909 5.255 2.932 1.00 42.03 H new ATOM 0 HG3 GLU A 84 -11.200 4.073 3.027 1.00 42.03 H new ATOM 1256 N PHE A 85 -13.774 4.835 -0.832 1.00 4.23 N ATOM 1257 CA PHE A 85 -14.510 5.569 -1.834 1.00 13.13 C ATOM 1258 C PHE A 85 -14.756 6.994 -1.379 1.00 41.31 C ATOM 1259 O PHE A 85 -14.725 7.278 -0.192 1.00 12.51 O ATOM 1260 CB PHE A 85 -15.834 4.889 -2.158 1.00 32.34 C ATOM 1261 CG PHE A 85 -15.715 3.563 -2.865 1.00 30.42 C ATOM 1262 CD1 PHE A 85 -15.504 2.390 -2.161 1.00 12.22 C ATOM 1263 CD2 PHE A 85 -15.834 3.499 -4.243 1.00 63.34 C ATOM 1264 CE1 PHE A 85 -15.415 1.180 -2.818 1.00 74.23 C ATOM 1265 CE2 PHE A 85 -15.748 2.293 -4.902 1.00 40.14 C ATOM 1266 CZ PHE A 85 -15.539 1.131 -4.188 1.00 34.14 C ATOM 0 H PHE A 85 -14.352 4.410 -0.107 1.00 4.23 H new ATOM 0 HA PHE A 85 -13.905 5.586 -2.740 1.00 13.13 H new ATOM 0 HB2 PHE A 85 -16.385 4.740 -1.229 1.00 32.34 H new ATOM 0 HB3 PHE A 85 -16.428 5.561 -2.777 1.00 32.34 H new ATOM 0 HD1 PHE A 85 -15.408 2.422 -1.086 1.00 12.22 H new ATOM 0 HD2 PHE A 85 -15.996 4.405 -4.807 1.00 63.34 H new ATOM 0 HE1 PHE A 85 -15.248 0.272 -2.258 1.00 74.23 H new ATOM 0 HE2 PHE A 85 -15.844 2.257 -5.977 1.00 40.14 H new ATOM 0 HZ PHE A 85 -15.473 0.184 -4.703 1.00 34.14 H new ATOM 1276 N ALA A 86 -14.959 7.889 -2.331 1.00 1.11 N ATOM 1277 CA ALA A 86 -15.244 9.283 -2.031 1.00 14.31 C ATOM 1278 C ALA A 86 -16.600 9.441 -1.359 1.00 3.34 C ATOM 1279 O ALA A 86 -16.797 10.348 -0.553 1.00 10.54 O ATOM 1280 CB ALA A 86 -15.163 10.136 -3.286 1.00 0.42 C ATOM 0 H ALA A 86 -14.931 7.673 -3.327 1.00 1.11 H new ATOM 0 HA ALA A 86 -14.484 9.631 -1.332 1.00 14.31 H new ATOM 0 HB1 ALA A 86 -15.380 11.174 -3.035 1.00 0.42 H new ATOM 0 HB2 ALA A 86 -14.161 10.067 -3.709 1.00 0.42 H new ATOM 0 HB3 ALA A 86 -15.890 9.780 -4.016 1.00 0.42 H new ATOM 1286 N GLU A 87 -17.535 8.588 -1.700 1.00 11.54 N ATOM 1287 CA GLU A 87 -18.810 8.622 -1.035 1.00 21.01 C ATOM 1288 C GLU A 87 -19.088 7.289 -0.370 1.00 74.11 C ATOM 1289 O GLU A 87 -18.680 6.234 -0.856 1.00 4.11 O ATOM 1290 CB GLU A 87 -19.941 8.969 -2.000 1.00 13.45 C ATOM 1291 CG GLU A 87 -20.918 10.015 -1.450 1.00 14.43 C ATOM 1292 CD GLU A 87 -21.611 9.581 -0.182 1.00 2.11 C ATOM 1293 OE1 GLU A 87 -21.063 9.787 0.923 1.00 40.31 O ATOM 1294 OE2 GLU A 87 -22.695 8.994 -0.277 1.00 32.35 O ATOM 0 H GLU A 87 -17.439 7.874 -2.422 1.00 11.54 H new ATOM 0 HA GLU A 87 -18.766 9.404 -0.277 1.00 21.01 H new ATOM 0 HB2 GLU A 87 -19.512 9.339 -2.931 1.00 13.45 H new ATOM 0 HB3 GLU A 87 -20.493 8.061 -2.242 1.00 13.45 H new ATOM 0 HG2 GLU A 87 -20.377 10.942 -1.260 1.00 14.43 H new ATOM 0 HG3 GLU A 87 -21.669 10.234 -2.209 1.00 14.43 H new ATOM 1301 N ARG A 88 -19.792 7.348 0.719 1.00 74.11 N ATOM 1302 CA ARG A 88 -20.175 6.193 1.483 1.00 42.13 C ATOM 1303 C ARG A 88 -21.241 5.385 0.704 1.00 75.24 C ATOM 1304 O ARG A 88 -21.338 4.163 0.836 1.00 41.51 O ATOM 1305 CB ARG A 88 -20.635 6.679 2.875 1.00 22.24 C ATOM 1306 CG ARG A 88 -21.185 5.643 3.827 1.00 52.04 C ATOM 1307 CD ARG A 88 -20.375 4.376 3.967 1.00 40.51 C ATOM 1308 NE ARG A 88 -21.278 3.307 4.407 1.00 33.14 N ATOM 1309 CZ ARG A 88 -20.953 2.135 4.948 1.00 51.54 C ATOM 1310 NH1 ARG A 88 -19.706 1.859 5.291 1.00 70.51 N ATOM 1311 NH2 ARG A 88 -21.910 1.238 5.155 1.00 31.05 N ATOM 0 H ARG A 88 -20.127 8.226 1.115 1.00 74.11 H new ATOM 0 HA ARG A 88 -19.344 5.505 1.637 1.00 42.13 H new ATOM 0 HB2 ARG A 88 -19.788 7.165 3.359 1.00 22.24 H new ATOM 0 HB3 ARG A 88 -21.400 7.442 2.729 1.00 22.24 H new ATOM 0 HG2 ARG A 88 -21.282 6.099 4.812 1.00 52.04 H new ATOM 0 HG3 ARG A 88 -22.189 5.374 3.499 1.00 52.04 H new ATOM 0 HD2 ARG A 88 -19.909 4.114 3.017 1.00 40.51 H new ATOM 0 HD3 ARG A 88 -19.570 4.516 4.689 1.00 40.51 H new ATOM 0 HE ARG A 88 -22.275 3.483 4.284 1.00 33.14 H new ATOM 0 HH11 ARG A 88 -18.971 2.551 5.142 1.00 70.51 H new ATOM 0 HH12 ARG A 88 -19.479 0.954 5.704 1.00 70.51 H new ATOM 0 HH21 ARG A 88 -22.874 1.453 4.900 1.00 31.05 H new ATOM 0 HH22 ARG A 88 -21.681 0.334 5.568 1.00 31.05 H new ATOM 1325 N ASN A 89 -21.994 6.080 -0.139 1.00 22.43 N ATOM 1326 CA ASN A 89 -22.971 5.445 -1.043 1.00 65.55 C ATOM 1327 C ASN A 89 -22.268 4.515 -2.019 1.00 2.44 C ATOM 1328 O ASN A 89 -22.788 3.460 -2.383 1.00 12.42 O ATOM 1329 CB ASN A 89 -23.721 6.517 -1.830 1.00 41.21 C ATOM 1330 CG ASN A 89 -24.721 5.969 -2.845 1.00 64.42 C ATOM 1331 OD1 ASN A 89 -25.313 4.909 -2.654 1.00 14.22 O ATOM 1332 ND2 ASN A 89 -24.902 6.682 -3.933 1.00 71.23 N ATOM 0 H ASN A 89 -21.953 7.096 -0.223 1.00 22.43 H new ATOM 0 HA ASN A 89 -23.672 4.868 -0.440 1.00 65.55 H new ATOM 0 HB2 ASN A 89 -24.250 7.162 -1.129 1.00 41.21 H new ATOM 0 HB3 ASN A 89 -22.996 7.141 -2.353 1.00 41.21 H new ATOM 0 HD21 ASN A 89 -25.550 6.360 -4.652 1.00 71.23 H new ATOM 0 HD22 ASN A 89 -24.394 7.557 -4.059 1.00 71.23 H new ATOM 1339 N SER A 90 -21.068 4.887 -2.409 1.00 4.14 N ATOM 1340 CA SER A 90 -20.310 4.144 -3.367 1.00 34.11 C ATOM 1341 C SER A 90 -19.909 2.789 -2.808 1.00 13.34 C ATOM 1342 O SER A 90 -19.884 1.792 -3.526 1.00 33.30 O ATOM 1343 CB SER A 90 -19.093 4.947 -3.776 1.00 42.23 C ATOM 1344 OG SER A 90 -19.493 6.222 -4.263 1.00 53.50 O ATOM 0 H SER A 90 -20.596 5.722 -2.062 1.00 4.14 H new ATOM 0 HA SER A 90 -20.926 3.963 -4.248 1.00 34.11 H new ATOM 0 HB2 SER A 90 -18.424 5.067 -2.924 1.00 42.23 H new ATOM 0 HB3 SER A 90 -18.536 4.413 -4.546 1.00 42.23 H new ATOM 0 HG SER A 90 -18.700 6.736 -4.524 1.00 53.50 H new ATOM 1350 N VAL A 91 -19.614 2.754 -1.512 1.00 72.34 N ATOM 1351 CA VAL A 91 -19.211 1.521 -0.878 1.00 61.42 C ATOM 1352 C VAL A 91 -20.404 0.594 -0.834 1.00 15.14 C ATOM 1353 O VAL A 91 -20.273 -0.604 -1.039 1.00 54.10 O ATOM 1354 CB VAL A 91 -18.612 1.712 0.563 1.00 22.24 C ATOM 1355 CG1 VAL A 91 -17.761 2.945 0.663 1.00 34.31 C ATOM 1356 CG2 VAL A 91 -19.623 1.605 1.704 1.00 1.41 C ATOM 0 H VAL A 91 -19.648 3.563 -0.892 1.00 72.34 H new ATOM 0 HA VAL A 91 -18.403 1.095 -1.473 1.00 61.42 H new ATOM 0 HB VAL A 91 -17.960 0.850 0.705 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -17.369 3.035 1.676 1.00 34.31 H new ATOM 0 HG12 VAL A 91 -16.932 2.873 -0.042 1.00 34.31 H new ATOM 0 HG13 VAL A 91 -18.363 3.823 0.427 1.00 34.31 H new ATOM 0 HG21 VAL A 91 -19.113 1.751 2.656 1.00 1.41 H new ATOM 0 HG22 VAL A 91 -20.391 2.369 1.582 1.00 1.41 H new ATOM 0 HG23 VAL A 91 -20.087 0.619 1.688 1.00 1.41 H new ATOM 1366 N ASP A 92 -21.593 1.173 -0.592 1.00 43.24 N ATOM 1367 CA ASP A 92 -22.812 0.400 -0.480 1.00 50.14 C ATOM 1368 C ASP A 92 -23.166 -0.194 -1.842 1.00 1.24 C ATOM 1369 O ASP A 92 -23.753 -1.264 -1.945 1.00 51.04 O ATOM 1370 CB ASP A 92 -23.935 1.289 0.034 1.00 53.23 C ATOM 1371 CG ASP A 92 -25.106 0.491 0.569 1.00 12.23 C ATOM 1372 OD1 ASP A 92 -25.031 0.029 1.728 1.00 64.33 O ATOM 1373 OD2 ASP A 92 -26.118 0.322 -0.142 1.00 12.42 O ATOM 0 H ASP A 92 -21.721 2.178 -0.472 1.00 43.24 H new ATOM 0 HA ASP A 92 -22.669 -0.417 0.227 1.00 50.14 H new ATOM 0 HB2 ASP A 92 -23.550 1.936 0.822 1.00 53.23 H new ATOM 0 HB3 ASP A 92 -24.279 1.937 -0.772 1.00 53.23 H new ATOM 1378 N ALA A 93 -22.793 0.513 -2.886 1.00 15.21 N ATOM 1379 CA ALA A 93 -22.969 0.027 -4.237 1.00 73.11 C ATOM 1380 C ALA A 93 -21.959 -1.090 -4.531 1.00 54.45 C ATOM 1381 O ALA A 93 -22.246 -2.024 -5.276 1.00 21.12 O ATOM 1382 CB ALA A 93 -22.814 1.166 -5.236 1.00 13.41 C ATOM 0 H ALA A 93 -22.362 1.435 -2.824 1.00 15.21 H new ATOM 0 HA ALA A 93 -23.976 -0.379 -4.336 1.00 73.11 H new ATOM 0 HB1 ALA A 93 -22.949 0.784 -6.248 1.00 13.41 H new ATOM 0 HB2 ALA A 93 -23.563 1.931 -5.034 1.00 13.41 H new ATOM 0 HB3 ALA A 93 -21.818 1.599 -5.142 1.00 13.41 H new ATOM 1388 N ALA A 94 -20.798 -0.998 -3.905 1.00 53.21 N ATOM 1389 CA ALA A 94 -19.721 -1.955 -4.112 1.00 2.31 C ATOM 1390 C ALA A 94 -19.998 -3.272 -3.391 1.00 45.12 C ATOM 1391 O ALA A 94 -19.658 -4.338 -3.895 1.00 2.33 O ATOM 1392 CB ALA A 94 -18.389 -1.371 -3.664 1.00 34.20 C ATOM 0 H ALA A 94 -20.574 -0.259 -3.239 1.00 53.21 H new ATOM 0 HA ALA A 94 -19.667 -2.165 -5.180 1.00 2.31 H new ATOM 0 HB1 ALA A 94 -17.598 -2.103 -3.827 1.00 34.20 H new ATOM 0 HB2 ALA A 94 -18.175 -0.470 -4.239 1.00 34.20 H new ATOM 0 HB3 ALA A 94 -18.439 -1.121 -2.604 1.00 34.20 H new ATOM 1398 N VAL A 95 -20.617 -3.184 -2.203 1.00 20.04 N ATOM 1399 CA VAL A 95 -20.987 -4.384 -1.403 1.00 43.04 C ATOM 1400 C VAL A 95 -21.821 -5.387 -2.200 1.00 23.14 C ATOM 1401 O VAL A 95 -21.883 -6.555 -1.852 1.00 73.30 O ATOM 1402 CB VAL A 95 -21.689 -4.075 -0.054 1.00 42.21 C ATOM 1403 CG1 VAL A 95 -20.896 -3.095 0.761 1.00 74.14 C ATOM 1404 CG2 VAL A 95 -23.126 -3.626 -0.223 1.00 41.35 C ATOM 0 H VAL A 95 -20.876 -2.299 -1.767 1.00 20.04 H new ATOM 0 HA VAL A 95 -20.024 -4.832 -1.160 1.00 43.04 H new ATOM 0 HB VAL A 95 -21.729 -5.016 0.495 1.00 42.21 H new ATOM 0 HG11 VAL A 95 -21.414 -2.899 1.700 1.00 74.14 H new ATOM 0 HG12 VAL A 95 -19.910 -3.510 0.970 1.00 74.14 H new ATOM 0 HG13 VAL A 95 -20.787 -2.164 0.205 1.00 74.14 H new ATOM 0 HG21 VAL A 95 -23.562 -3.425 0.756 1.00 41.35 H new ATOM 0 HG22 VAL A 95 -23.155 -2.719 -0.826 1.00 41.35 H new ATOM 0 HG23 VAL A 95 -23.696 -4.411 -0.720 1.00 41.35 H new ATOM 1414 N ALA A 96 -22.469 -4.920 -3.264 1.00 14.33 N ATOM 1415 CA ALA A 96 -23.253 -5.785 -4.143 1.00 32.32 C ATOM 1416 C ALA A 96 -22.348 -6.808 -4.863 1.00 22.20 C ATOM 1417 O ALA A 96 -22.823 -7.756 -5.480 1.00 20.43 O ATOM 1418 CB ALA A 96 -24.012 -4.944 -5.155 1.00 54.23 C ATOM 0 H ALA A 96 -22.466 -3.938 -3.540 1.00 14.33 H new ATOM 0 HA ALA A 96 -23.967 -6.339 -3.534 1.00 32.32 H new ATOM 0 HB1 ALA A 96 -24.594 -5.596 -5.807 1.00 54.23 H new ATOM 0 HB2 ALA A 96 -24.682 -4.262 -4.632 1.00 54.23 H new ATOM 0 HB3 ALA A 96 -23.305 -4.370 -5.754 1.00 54.23 H new ATOM 1424 N MET A 97 -21.048 -6.591 -4.783 1.00 64.12 N ATOM 1425 CA MET A 97 -20.083 -7.481 -5.371 1.00 31.01 C ATOM 1426 C MET A 97 -19.471 -8.409 -4.313 1.00 12.35 C ATOM 1427 O MET A 97 -18.551 -9.154 -4.616 1.00 51.05 O ATOM 1428 CB MET A 97 -18.960 -6.694 -6.079 1.00 10.25 C ATOM 1429 CG MET A 97 -19.430 -5.793 -7.212 1.00 64.32 C ATOM 1430 SD MET A 97 -18.065 -4.981 -8.081 1.00 43.21 S ATOM 1431 CE MET A 97 -17.295 -4.043 -6.754 1.00 51.05 C ATOM 0 H MET A 97 -20.638 -5.788 -4.306 1.00 64.12 H new ATOM 0 HA MET A 97 -20.609 -8.086 -6.109 1.00 31.01 H new ATOM 0 HB2 MET A 97 -18.441 -6.084 -5.340 1.00 10.25 H new ATOM 0 HB3 MET A 97 -18.233 -7.403 -6.475 1.00 10.25 H new ATOM 0 HG2 MET A 97 -20.006 -6.384 -7.924 1.00 64.32 H new ATOM 0 HG3 MET A 97 -20.101 -5.034 -6.811 1.00 64.32 H new ATOM 0 HE1 MET A 97 -16.648 -3.275 -7.179 1.00 51.05 H new ATOM 0 HE2 MET A 97 -18.067 -3.571 -6.146 1.00 51.05 H new ATOM 0 HE3 MET A 97 -16.702 -4.713 -6.131 1.00 51.05 H new ATOM 1441 N ASP A 98 -19.981 -8.345 -3.068 1.00 41.24 N ATOM 1442 CA ASP A 98 -19.435 -9.148 -1.936 1.00 42.31 C ATOM 1443 C ASP A 98 -19.231 -10.627 -2.248 1.00 74.31 C ATOM 1444 O ASP A 98 -18.198 -11.166 -1.922 1.00 42.42 O ATOM 1445 CB ASP A 98 -20.254 -9.000 -0.623 1.00 25.12 C ATOM 1446 CG ASP A 98 -21.400 -9.970 -0.460 1.00 4.43 C ATOM 1447 OD1 ASP A 98 -22.444 -9.800 -1.109 1.00 23.33 O ATOM 1448 OD2 ASP A 98 -21.265 -10.911 0.366 1.00 74.35 O ATOM 0 H ASP A 98 -20.769 -7.749 -2.812 1.00 41.24 H new ATOM 0 HA ASP A 98 -18.448 -8.711 -1.781 1.00 42.31 H new ATOM 0 HB2 ASP A 98 -19.577 -9.119 0.223 1.00 25.12 H new ATOM 0 HB3 ASP A 98 -20.650 -7.985 -0.574 1.00 25.12 H new ATOM 1453 N GLU A 99 -20.226 -11.290 -2.811 1.00 44.42 N ATOM 1454 CA GLU A 99 -20.124 -12.699 -3.153 1.00 3.10 C ATOM 1455 C GLU A 99 -19.872 -12.873 -4.673 1.00 41.30 C ATOM 1456 O GLU A 99 -19.947 -13.978 -5.226 1.00 61.30 O ATOM 1457 CB GLU A 99 -21.456 -13.335 -2.716 1.00 54.41 C ATOM 1458 CG GLU A 99 -21.643 -14.807 -2.990 1.00 40.02 C ATOM 1459 CD GLU A 99 -23.007 -15.259 -2.573 1.00 63.11 C ATOM 1460 OE1 GLU A 99 -24.007 -14.710 -3.086 1.00 72.23 O ATOM 1461 OE2 GLU A 99 -23.118 -16.142 -1.699 1.00 45.55 O ATOM 0 H GLU A 99 -21.125 -10.869 -3.044 1.00 44.42 H new ATOM 0 HA GLU A 99 -19.285 -13.181 -2.652 1.00 3.10 H new ATOM 0 HB2 GLU A 99 -21.571 -13.174 -1.644 1.00 54.41 H new ATOM 0 HB3 GLU A 99 -22.265 -12.795 -3.208 1.00 54.41 H new ATOM 0 HG2 GLU A 99 -21.499 -15.004 -4.052 1.00 40.02 H new ATOM 0 HG3 GLU A 99 -20.886 -15.380 -2.454 1.00 40.02 H new ATOM 1468 N THR A 100 -19.539 -11.794 -5.322 1.00 63.35 N ATOM 1469 CA THR A 100 -19.287 -11.797 -6.741 1.00 1.11 C ATOM 1470 C THR A 100 -17.955 -12.496 -7.035 1.00 24.44 C ATOM 1471 O THR A 100 -17.042 -12.510 -6.198 1.00 13.03 O ATOM 1472 CB THR A 100 -19.325 -10.340 -7.272 1.00 33.21 C ATOM 1473 OG1 THR A 100 -20.653 -9.826 -7.082 1.00 60.34 O ATOM 1474 CG2 THR A 100 -18.943 -10.209 -8.740 1.00 73.14 C ATOM 0 H THR A 100 -19.433 -10.880 -4.882 1.00 63.35 H new ATOM 0 HA THR A 100 -20.062 -12.359 -7.262 1.00 1.11 H new ATOM 0 HB THR A 100 -18.582 -9.773 -6.711 1.00 33.21 H new ATOM 0 HG1 THR A 100 -20.840 -9.143 -7.760 1.00 60.34 H new ATOM 0 HG21 THR A 100 -18.993 -9.161 -9.037 1.00 73.14 H new ATOM 0 HG22 THR A 100 -17.928 -10.579 -8.886 1.00 73.14 H new ATOM 0 HG23 THR A 100 -19.633 -10.792 -9.349 1.00 73.14 H new ATOM 1482 N VAL A 101 -17.840 -13.074 -8.196 1.00 41.41 N ATOM 1483 CA VAL A 101 -16.672 -13.798 -8.539 1.00 73.52 C ATOM 1484 C VAL A 101 -15.815 -12.932 -9.441 1.00 52.25 C ATOM 1485 O VAL A 101 -16.311 -12.288 -10.372 1.00 64.42 O ATOM 1486 CB VAL A 101 -17.007 -15.163 -9.183 1.00 35.41 C ATOM 1487 CG1 VAL A 101 -17.875 -14.993 -10.401 1.00 70.41 C ATOM 1488 CG2 VAL A 101 -15.747 -15.935 -9.515 1.00 53.21 C ATOM 0 H VAL A 101 -18.556 -13.051 -8.922 1.00 41.41 H new ATOM 0 HA VAL A 101 -16.112 -14.033 -7.634 1.00 73.52 H new ATOM 0 HB VAL A 101 -17.571 -15.743 -8.453 1.00 35.41 H new ATOM 0 HG11 VAL A 101 -18.093 -15.970 -10.831 1.00 70.41 H new ATOM 0 HG12 VAL A 101 -18.807 -14.505 -10.118 1.00 70.41 H new ATOM 0 HG13 VAL A 101 -17.354 -14.381 -11.137 1.00 70.41 H new ATOM 0 HG21 VAL A 101 -16.014 -16.890 -9.966 1.00 53.21 H new ATOM 0 HG22 VAL A 101 -15.141 -15.359 -10.215 1.00 53.21 H new ATOM 0 HG23 VAL A 101 -15.177 -16.111 -8.603 1.00 53.21 H new ATOM 1498 N PHE A 102 -14.568 -12.897 -9.154 1.00 32.53 N ATOM 1499 CA PHE A 102 -13.666 -12.028 -9.814 1.00 11.53 C ATOM 1500 C PHE A 102 -12.462 -12.822 -10.282 1.00 42.43 C ATOM 1501 O PHE A 102 -11.768 -13.413 -9.478 1.00 30.10 O ATOM 1502 CB PHE A 102 -13.275 -10.961 -8.788 1.00 41.25 C ATOM 1503 CG PHE A 102 -12.363 -9.872 -9.239 1.00 23.20 C ATOM 1504 CD1 PHE A 102 -12.854 -8.781 -9.926 1.00 35.43 C ATOM 1505 CD2 PHE A 102 -11.021 -9.917 -8.943 1.00 61.52 C ATOM 1506 CE1 PHE A 102 -12.018 -7.761 -10.314 1.00 74.35 C ATOM 1507 CE2 PHE A 102 -10.187 -8.900 -9.324 1.00 51.30 C ATOM 1508 CZ PHE A 102 -10.681 -7.821 -10.012 1.00 12.33 C ATOM 0 H PHE A 102 -14.136 -13.483 -8.440 1.00 32.53 H new ATOM 0 HA PHE A 102 -14.105 -11.559 -10.695 1.00 11.53 H new ATOM 0 HB2 PHE A 102 -14.190 -10.500 -8.417 1.00 41.25 H new ATOM 0 HB3 PHE A 102 -12.806 -11.464 -7.943 1.00 41.25 H new ATOM 0 HD1 PHE A 102 -13.907 -8.728 -10.162 1.00 35.43 H new ATOM 0 HD2 PHE A 102 -10.621 -10.763 -8.404 1.00 61.52 H new ATOM 0 HE1 PHE A 102 -12.413 -6.914 -10.855 1.00 74.35 H new ATOM 0 HE2 PHE A 102 -9.136 -8.948 -9.082 1.00 51.30 H new ATOM 0 HZ PHE A 102 -10.020 -7.022 -10.315 1.00 12.33 H new ATOM 1518 N ARG A 103 -12.242 -12.847 -11.588 1.00 64.02 N ATOM 1519 CA ARG A 103 -11.104 -13.545 -12.221 1.00 31.04 C ATOM 1520 C ARG A 103 -11.000 -15.032 -11.839 1.00 21.41 C ATOM 1521 O ARG A 103 -9.918 -15.614 -11.826 1.00 62.12 O ATOM 1522 CB ARG A 103 -9.831 -12.768 -11.905 1.00 34.00 C ATOM 1523 CG ARG A 103 -9.920 -11.353 -12.444 1.00 2.22 C ATOM 1524 CD ARG A 103 -8.716 -10.521 -12.129 1.00 24.53 C ATOM 1525 NE ARG A 103 -8.856 -9.179 -12.702 1.00 44.04 N ATOM 1526 CZ ARG A 103 -7.989 -8.614 -13.540 1.00 31.50 C ATOM 1527 NH1 ARG A 103 -6.954 -9.306 -14.001 1.00 24.44 N ATOM 1528 NH2 ARG A 103 -8.185 -7.376 -13.944 1.00 20.04 N ATOM 0 H ARG A 103 -12.852 -12.379 -12.259 1.00 64.02 H new ATOM 0 HA ARG A 103 -11.265 -13.564 -13.299 1.00 31.04 H new ATOM 0 HB2 ARG A 103 -9.672 -12.743 -10.827 1.00 34.00 H new ATOM 0 HB3 ARG A 103 -8.971 -13.276 -12.342 1.00 34.00 H new ATOM 0 HG2 ARG A 103 -10.053 -11.391 -13.525 1.00 2.22 H new ATOM 0 HG3 ARG A 103 -10.805 -10.869 -12.031 1.00 2.22 H new ATOM 0 HD2 ARG A 103 -8.588 -10.450 -11.049 1.00 24.53 H new ATOM 0 HD3 ARG A 103 -7.821 -11.001 -12.525 1.00 24.53 H new ATOM 0 HE ARG A 103 -9.679 -8.637 -12.439 1.00 44.04 H new ATOM 0 HH11 ARG A 103 -6.820 -10.275 -13.713 1.00 24.44 H new ATOM 0 HH12 ARG A 103 -6.293 -8.868 -14.643 1.00 24.44 H new ATOM 0 HH21 ARG A 103 -8.998 -6.855 -13.615 1.00 20.04 H new ATOM 0 HH22 ARG A 103 -7.524 -6.938 -14.586 1.00 20.04 H new ATOM 1542 N GLY A 104 -12.154 -15.637 -11.608 1.00 51.10 N ATOM 1543 CA GLY A 104 -12.234 -17.072 -11.344 1.00 53.34 C ATOM 1544 C GLY A 104 -12.211 -17.415 -9.867 1.00 14.44 C ATOM 1545 O GLY A 104 -12.355 -18.574 -9.488 1.00 64.15 O ATOM 0 H GLY A 104 -13.054 -15.158 -11.597 1.00 51.10 H new ATOM 0 HA2 GLY A 104 -13.150 -17.465 -11.786 1.00 53.34 H new ATOM 0 HA3 GLY A 104 -11.401 -17.572 -11.838 1.00 53.34 H new ATOM 1549 N ARG A 105 -12.015 -16.427 -9.047 1.00 12.34 N ATOM 1550 CA ARG A 105 -11.989 -16.594 -7.603 1.00 62.43 C ATOM 1551 C ARG A 105 -13.046 -15.729 -6.956 1.00 62.44 C ATOM 1552 O ARG A 105 -13.347 -14.642 -7.446 1.00 13.04 O ATOM 1553 CB ARG A 105 -10.584 -16.262 -7.047 1.00 52.32 C ATOM 1554 CG ARG A 105 -9.974 -15.029 -7.687 1.00 54.41 C ATOM 1555 CD ARG A 105 -8.646 -14.618 -7.088 1.00 74.42 C ATOM 1556 NE ARG A 105 -7.961 -13.677 -7.993 1.00 53.23 N ATOM 1557 CZ ARG A 105 -7.988 -12.339 -7.937 1.00 43.45 C ATOM 1558 NH1 ARG A 105 -8.603 -11.713 -6.955 1.00 71.14 N ATOM 1559 NH2 ARG A 105 -7.365 -11.635 -8.871 1.00 74.43 N ATOM 0 H ARG A 105 -11.866 -15.466 -9.353 1.00 12.34 H new ATOM 0 HA ARG A 105 -12.209 -17.635 -7.366 1.00 62.43 H new ATOM 0 HB2 ARG A 105 -10.651 -16.111 -5.970 1.00 52.32 H new ATOM 0 HB3 ARG A 105 -9.924 -17.114 -7.209 1.00 52.32 H new ATOM 0 HG2 ARG A 105 -9.839 -15.214 -8.753 1.00 54.41 H new ATOM 0 HG3 ARG A 105 -10.675 -14.200 -7.594 1.00 54.41 H new ATOM 0 HD2 ARG A 105 -8.804 -14.152 -6.115 1.00 74.42 H new ATOM 0 HD3 ARG A 105 -8.023 -15.497 -6.923 1.00 74.42 H new ATOM 0 HE ARG A 105 -7.406 -14.090 -8.743 1.00 53.23 H new ATOM 0 HH11 ARG A 105 -9.068 -12.248 -6.222 1.00 71.14 H new ATOM 0 HH12 ARG A 105 -8.614 -10.693 -6.928 1.00 71.14 H new ATOM 0 HH21 ARG A 105 -6.870 -12.112 -9.624 1.00 74.43 H new ATOM 0 HH22 ARG A 105 -7.380 -10.616 -8.836 1.00 74.43 H new ATOM 1573 N THR A 106 -13.632 -16.198 -5.888 1.00 2.13 N ATOM 1574 CA THR A 106 -14.612 -15.406 -5.209 1.00 63.43 C ATOM 1575 C THR A 106 -13.900 -14.440 -4.298 1.00 23.34 C ATOM 1576 O THR A 106 -13.096 -14.843 -3.438 1.00 64.44 O ATOM 1577 CB THR A 106 -15.595 -16.269 -4.381 1.00 21.31 C ATOM 1578 OG1 THR A 106 -16.255 -17.218 -5.240 1.00 1.03 O ATOM 1579 CG2 THR A 106 -16.652 -15.398 -3.701 1.00 0.12 C ATOM 0 H THR A 106 -13.449 -17.113 -5.476 1.00 2.13 H new ATOM 0 HA THR A 106 -15.201 -14.877 -5.958 1.00 63.43 H new ATOM 0 HB THR A 106 -15.021 -16.791 -3.615 1.00 21.31 H new ATOM 0 HG1 THR A 106 -16.875 -17.763 -4.711 1.00 1.03 H new ATOM 0 HG21 THR A 106 -17.329 -16.030 -3.126 1.00 0.12 H new ATOM 0 HG22 THR A 106 -16.164 -14.688 -3.033 1.00 0.12 H new ATOM 0 HG23 THR A 106 -17.217 -14.855 -4.458 1.00 0.12 H new ATOM 1587 N ILE A 107 -14.140 -13.197 -4.490 1.00 53.12 N ATOM 1588 CA ILE A 107 -13.557 -12.217 -3.630 1.00 12.12 C ATOM 1589 C ILE A 107 -14.588 -11.774 -2.655 1.00 54.25 C ATOM 1590 O ILE A 107 -15.740 -12.158 -2.759 1.00 35.52 O ATOM 1591 CB ILE A 107 -13.025 -10.976 -4.400 1.00 61.44 C ATOM 1592 CG1 ILE A 107 -14.168 -10.272 -5.172 1.00 62.41 C ATOM 1593 CG2 ILE A 107 -11.889 -11.380 -5.336 1.00 2.44 C ATOM 1594 CD1 ILE A 107 -13.756 -8.985 -5.862 1.00 63.13 C ATOM 0 H ILE A 107 -14.734 -12.826 -5.232 1.00 53.12 H new ATOM 0 HA ILE A 107 -12.703 -12.678 -3.134 1.00 12.12 H new ATOM 0 HB ILE A 107 -12.631 -10.262 -3.677 1.00 61.44 H new ATOM 0 HG12 ILE A 107 -14.564 -10.960 -5.919 1.00 62.41 H new ATOM 0 HG13 ILE A 107 -14.979 -10.054 -4.477 1.00 62.41 H new ATOM 0 HG21 ILE A 107 -11.526 -10.501 -5.869 1.00 2.44 H new ATOM 0 HG22 ILE A 107 -11.075 -11.813 -4.755 1.00 2.44 H new ATOM 0 HG23 ILE A 107 -12.253 -12.115 -6.054 1.00 2.44 H new ATOM 0 HD11 ILE A 107 -14.616 -8.558 -6.378 1.00 63.13 H new ATOM 0 HD12 ILE A 107 -13.389 -8.276 -5.120 1.00 63.13 H new ATOM 0 HD13 ILE A 107 -12.967 -9.196 -6.584 1.00 63.13 H new ATOM 1606 N LYS A 108 -14.180 -11.019 -1.705 1.00 34.30 N ATOM 1607 CA LYS A 108 -15.080 -10.512 -0.713 1.00 44.25 C ATOM 1608 C LYS A 108 -15.037 -9.046 -0.710 1.00 30.14 C ATOM 1609 O LYS A 108 -13.975 -8.480 -0.616 1.00 1.50 O ATOM 1610 CB LYS A 108 -14.739 -11.002 0.701 1.00 45.42 C ATOM 1611 CG LYS A 108 -15.338 -12.309 1.142 1.00 42.52 C ATOM 1612 CD LYS A 108 -16.882 -12.319 1.149 1.00 11.31 C ATOM 1613 CE LYS A 108 -17.491 -11.480 2.274 1.00 71.15 C ATOM 1614 NZ LYS A 108 -18.978 -11.591 2.290 1.00 25.31 N ATOM 0 H LYS A 108 -13.210 -10.728 -1.584 1.00 34.30 H new ATOM 0 HA LYS A 108 -16.072 -10.880 -0.973 1.00 44.25 H new ATOM 0 HB2 LYS A 108 -13.655 -11.085 0.777 1.00 45.42 H new ATOM 0 HB3 LYS A 108 -15.050 -10.233 1.408 1.00 45.42 H new ATOM 0 HG2 LYS A 108 -14.982 -13.101 0.483 1.00 42.52 H new ATOM 0 HG3 LYS A 108 -14.978 -12.542 2.144 1.00 42.52 H new ATOM 0 HD2 LYS A 108 -17.244 -11.946 0.191 1.00 11.31 H new ATOM 0 HD3 LYS A 108 -17.231 -13.347 1.243 1.00 11.31 H new ATOM 0 HE2 LYS A 108 -17.090 -11.808 3.233 1.00 71.15 H new ATOM 0 HE3 LYS A 108 -17.204 -10.436 2.148 1.00 71.15 H new ATOM 0 HZ1 LYS A 108 -19.360 -11.025 3.074 1.00 25.31 H new ATOM 0 HZ2 LYS A 108 -19.362 -11.239 1.390 1.00 25.31 H new ATOM 0 HZ3 LYS A 108 -19.250 -12.587 2.417 1.00 25.31 H new ATOM 1628 N VAL A 109 -16.172 -8.441 -0.799 1.00 62.20 N ATOM 1629 CA VAL A 109 -16.287 -7.021 -0.679 1.00 62.52 C ATOM 1630 C VAL A 109 -17.145 -6.798 0.536 1.00 51.21 C ATOM 1631 O VAL A 109 -18.307 -7.138 0.543 1.00 24.22 O ATOM 1632 CB VAL A 109 -16.949 -6.361 -1.918 1.00 11.51 C ATOM 1633 CG1 VAL A 109 -17.040 -4.854 -1.736 1.00 2.31 C ATOM 1634 CG2 VAL A 109 -16.184 -6.701 -3.193 1.00 1.20 C ATOM 0 H VAL A 109 -17.058 -8.920 -0.959 1.00 62.20 H new ATOM 0 HA VAL A 109 -15.299 -6.568 -0.599 1.00 62.52 H new ATOM 0 HB VAL A 109 -17.959 -6.760 -2.013 1.00 11.51 H new ATOM 0 HG11 VAL A 109 -17.507 -4.409 -2.615 1.00 2.31 H new ATOM 0 HG12 VAL A 109 -17.639 -4.630 -0.854 1.00 2.31 H new ATOM 0 HG13 VAL A 109 -16.039 -4.442 -1.609 1.00 2.31 H new ATOM 0 HG21 VAL A 109 -16.669 -6.226 -4.046 1.00 1.20 H new ATOM 0 HG22 VAL A 109 -15.159 -6.339 -3.110 1.00 1.20 H new ATOM 0 HG23 VAL A 109 -16.176 -7.782 -3.335 1.00 1.20 H new ATOM 1644 N LEU A 110 -16.582 -6.270 1.550 1.00 25.02 N ATOM 1645 CA LEU A 110 -17.259 -6.150 2.802 1.00 5.02 C ATOM 1646 C LEU A 110 -16.858 -4.788 3.341 1.00 64.42 C ATOM 1647 O LEU A 110 -15.687 -4.473 3.307 1.00 23.52 O ATOM 1648 CB LEU A 110 -16.702 -7.304 3.700 1.00 54.14 C ATOM 1649 CG LEU A 110 -17.457 -7.743 4.976 1.00 63.41 C ATOM 1650 CD1 LEU A 110 -16.743 -8.925 5.614 1.00 75.31 C ATOM 1651 CD2 LEU A 110 -17.637 -6.633 5.986 1.00 44.11 C ATOM 0 H LEU A 110 -15.631 -5.902 1.547 1.00 25.02 H new ATOM 0 HA LEU A 110 -18.345 -6.225 2.750 1.00 5.02 H new ATOM 0 HB2 LEU A 110 -16.603 -8.185 3.066 1.00 54.14 H new ATOM 0 HB3 LEU A 110 -15.696 -7.016 4.005 1.00 54.14 H new ATOM 0 HG LEU A 110 -18.460 -8.032 4.662 1.00 63.41 H new ATOM 0 HD11 LEU A 110 -17.278 -9.231 6.513 1.00 75.31 H new ATOM 0 HD12 LEU A 110 -16.713 -9.756 4.909 1.00 75.31 H new ATOM 0 HD13 LEU A 110 -15.726 -8.636 5.878 1.00 75.31 H new ATOM 0 HD21 LEU A 110 -18.174 -7.015 6.854 1.00 44.11 H new ATOM 0 HD22 LEU A 110 -16.660 -6.263 6.298 1.00 44.11 H new ATOM 0 HD23 LEU A 110 -18.206 -5.820 5.535 1.00 44.11 H new ATOM 1663 N PRO A 111 -17.802 -3.931 3.774 1.00 72.41 N ATOM 1664 CA PRO A 111 -17.450 -2.619 4.344 1.00 42.43 C ATOM 1665 C PRO A 111 -16.472 -2.806 5.506 1.00 62.32 C ATOM 1666 O PRO A 111 -16.654 -3.713 6.323 1.00 55.34 O ATOM 1667 CB PRO A 111 -18.791 -2.093 4.865 1.00 65.01 C ATOM 1668 CG PRO A 111 -19.813 -2.778 4.035 1.00 40.50 C ATOM 1669 CD PRO A 111 -19.263 -4.146 3.750 1.00 42.23 C ATOM 0 HA PRO A 111 -16.973 -1.948 3.630 1.00 42.43 H new ATOM 0 HB2 PRO A 111 -18.922 -2.322 5.923 1.00 65.01 H new ATOM 0 HB3 PRO A 111 -18.858 -1.010 4.762 1.00 65.01 H new ATOM 0 HG2 PRO A 111 -20.765 -2.842 4.562 1.00 40.50 H new ATOM 0 HG3 PRO A 111 -19.996 -2.230 3.111 1.00 40.50 H new ATOM 0 HD2 PRO A 111 -19.576 -4.871 4.501 1.00 42.23 H new ATOM 0 HD3 PRO A 111 -19.599 -4.523 2.784 1.00 42.23 H new ATOM 1677 N LYS A 112 -15.432 -1.982 5.594 1.00 61.54 N ATOM 1678 CA LYS A 112 -14.466 -2.165 6.662 1.00 32.44 C ATOM 1679 C LYS A 112 -14.961 -1.593 7.995 1.00 42.13 C ATOM 1680 O LYS A 112 -14.473 -0.592 8.506 1.00 71.43 O ATOM 1681 CB LYS A 112 -13.055 -1.757 6.268 1.00 53.31 C ATOM 1682 CG LYS A 112 -12.004 -2.037 7.344 1.00 23.34 C ATOM 1683 CD LYS A 112 -10.617 -2.105 6.754 1.00 3.04 C ATOM 1684 CE LYS A 112 -10.324 -0.934 5.852 1.00 35.11 C ATOM 1685 NZ LYS A 112 -10.310 0.376 6.547 1.00 14.31 N ATOM 0 H LYS A 112 -15.243 -1.206 4.959 1.00 61.54 H new ATOM 0 HA LYS A 112 -14.381 -3.238 6.837 1.00 32.44 H new ATOM 0 HB2 LYS A 112 -12.776 -2.285 5.356 1.00 53.31 H new ATOM 0 HB3 LYS A 112 -13.047 -0.692 6.035 1.00 53.31 H new ATOM 0 HG2 LYS A 112 -12.040 -1.255 8.103 1.00 23.34 H new ATOM 0 HG3 LYS A 112 -12.235 -2.978 7.844 1.00 23.34 H new ATOM 0 HD2 LYS A 112 -9.883 -2.134 7.559 1.00 3.04 H new ATOM 0 HD3 LYS A 112 -10.509 -3.032 6.190 1.00 3.04 H new ATOM 0 HE2 LYS A 112 -9.357 -1.090 5.374 1.00 35.11 H new ATOM 0 HE3 LYS A 112 -11.071 -0.904 5.058 1.00 35.11 H new ATOM 0 HZ1 LYS A 112 -10.625 1.120 5.892 1.00 14.31 H new ATOM 0 HZ2 LYS A 112 -10.950 0.341 7.366 1.00 14.31 H new ATOM 0 HZ3 LYS A 112 -9.345 0.587 6.871 1.00 14.31 H new ATOM 2166 N GLY B 21 -9.128 -7.468 9.466 1.00 35.52 N ATOM 2167 CA GLY B 21 -10.531 -7.810 9.438 1.00 20.32 C ATOM 2168 C GLY B 21 -10.795 -9.288 9.646 1.00 71.20 C ATOM 2169 O GLY B 21 -10.700 -9.776 10.774 1.00 4.54 O ATOM 0 HA2 GLY B 21 -11.051 -7.243 10.211 1.00 20.32 H new ATOM 0 HA3 GLY B 21 -10.953 -7.504 8.480 1.00 20.32 H new ATOM 2173 N PRO B 22 -11.165 -10.012 8.564 1.00 34.35 N ATOM 2174 CA PRO B 22 -11.485 -11.448 8.584 1.00 53.34 C ATOM 2175 C PRO B 22 -10.561 -12.353 9.480 1.00 22.12 C ATOM 2176 O PRO B 22 -11.075 -13.036 10.367 1.00 32.45 O ATOM 2177 CB PRO B 22 -11.491 -11.862 7.091 1.00 54.15 C ATOM 2178 CG PRO B 22 -11.081 -10.626 6.336 1.00 31.12 C ATOM 2179 CD PRO B 22 -11.348 -9.465 7.222 1.00 34.55 C ATOM 0 HA PRO B 22 -12.446 -11.608 9.073 1.00 53.34 H new ATOM 0 HB2 PRO B 22 -10.798 -12.683 6.908 1.00 54.15 H new ATOM 0 HB3 PRO B 22 -12.479 -12.203 6.781 1.00 54.15 H new ATOM 0 HG2 PRO B 22 -10.026 -10.671 6.067 1.00 31.12 H new ATOM 0 HG3 PRO B 22 -11.643 -10.538 5.406 1.00 31.12 H new ATOM 0 HD2 PRO B 22 -10.659 -8.643 7.026 1.00 34.55 H new ATOM 0 HD3 PRO B 22 -12.356 -9.076 7.081 1.00 34.55 H new ATOM 2187 N PRO B 23 -9.219 -12.389 9.279 1.00 5.40 N ATOM 2188 CA PRO B 23 -8.335 -13.173 10.126 1.00 14.33 C ATOM 2189 C PRO B 23 -7.968 -12.402 11.377 1.00 33.15 C ATOM 2190 O PRO B 23 -8.185 -11.188 11.468 1.00 41.12 O ATOM 2191 CB PRO B 23 -7.074 -13.383 9.254 1.00 64.40 C ATOM 2192 CG PRO B 23 -7.390 -12.712 7.962 1.00 42.25 C ATOM 2193 CD PRO B 23 -8.456 -11.711 8.257 1.00 41.35 C ATOM 0 HA PRO B 23 -8.794 -14.106 10.453 1.00 14.33 H new ATOM 0 HB2 PRO B 23 -6.192 -12.946 9.722 1.00 64.40 H new ATOM 0 HB3 PRO B 23 -6.865 -14.443 9.109 1.00 64.40 H new ATOM 0 HG2 PRO B 23 -6.505 -12.227 7.550 1.00 42.25 H new ATOM 0 HG3 PRO B 23 -7.731 -13.436 7.222 1.00 42.25 H new ATOM 0 HD2 PRO B 23 -8.044 -10.767 8.613 1.00 41.35 H new ATOM 0 HD3 PRO B 23 -9.060 -11.485 7.378 1.00 41.35 H new ATOM 2201 N GLN B 24 -7.435 -13.081 12.326 1.00 2.23 N ATOM 2202 CA GLN B 24 -6.989 -12.449 13.518 1.00 33.21 C ATOM 2203 C GLN B 24 -5.491 -12.342 13.495 1.00 43.21 C ATOM 2204 O GLN B 24 -4.822 -13.205 12.908 1.00 65.01 O ATOM 2205 CB GLN B 24 -7.519 -13.164 14.759 1.00 3.40 C ATOM 2206 CG GLN B 24 -9.016 -12.982 14.933 1.00 45.03 C ATOM 2207 CD GLN B 24 -9.389 -11.526 15.202 1.00 15.13 C ATOM 2208 OE1 GLN B 24 -9.463 -11.099 16.347 1.00 54.32 O ATOM 2209 NE2 GLN B 24 -9.588 -10.752 14.164 1.00 43.24 N ATOM 0 H GLN B 24 -7.294 -14.091 12.301 1.00 2.23 H new ATOM 0 HA GLN B 24 -7.393 -11.438 13.568 1.00 33.21 H new ATOM 0 HB2 GLN B 24 -7.290 -14.227 14.688 1.00 3.40 H new ATOM 0 HB3 GLN B 24 -7.004 -12.785 15.642 1.00 3.40 H new ATOM 0 HG2 GLN B 24 -9.530 -13.328 14.036 1.00 45.03 H new ATOM 0 HG3 GLN B 24 -9.363 -13.603 15.759 1.00 45.03 H new ATOM 0 HE21 GLN B 24 -9.520 -11.136 13.221 1.00 43.24 H new ATOM 0 HE22 GLN B 24 -9.811 -9.766 14.298 1.00 43.24 H new ATOM 2218 N PRO B 25 -4.945 -11.256 14.061 1.00 34.14 N ATOM 2219 CA PRO B 25 -3.510 -11.003 14.085 1.00 25.33 C ATOM 2220 C PRO B 25 -2.676 -12.213 14.508 1.00 13.52 C ATOM 2221 O PRO B 25 -2.924 -12.835 15.550 1.00 1.54 O ATOM 2222 CB PRO B 25 -3.379 -9.882 15.100 1.00 43.54 C ATOM 2223 CG PRO B 25 -4.641 -9.130 14.967 1.00 40.10 C ATOM 2224 CD PRO B 25 -5.697 -10.162 14.717 1.00 43.14 C ATOM 0 HA PRO B 25 -3.132 -10.761 13.092 1.00 25.33 H new ATOM 0 HB2 PRO B 25 -3.251 -10.271 16.110 1.00 43.54 H new ATOM 0 HB3 PRO B 25 -2.515 -9.252 14.889 1.00 43.54 H new ATOM 0 HG2 PRO B 25 -4.855 -8.560 15.871 1.00 40.10 H new ATOM 0 HG3 PRO B 25 -4.588 -8.416 14.145 1.00 40.10 H new ATOM 0 HD2 PRO B 25 -6.165 -10.493 15.644 1.00 43.14 H new ATOM 0 HD3 PRO B 25 -6.492 -9.779 14.078 1.00 43.14 H new ATOM 2232 N LEU B 26 -1.706 -12.523 13.677 1.00 33.32 N ATOM 2233 CA LEU B 26 -0.755 -13.625 13.877 1.00 23.34 C ATOM 2234 C LEU B 26 0.116 -13.478 15.153 1.00 62.44 C ATOM 2235 O LEU B 26 -0.170 -12.644 16.025 1.00 63.32 O ATOM 2236 CB LEU B 26 0.118 -13.894 12.592 1.00 65.54 C ATOM 2237 CG LEU B 26 0.853 -12.722 11.852 1.00 53.44 C ATOM 2238 CD1 LEU B 26 -0.107 -11.789 11.152 1.00 44.00 C ATOM 2239 CD2 LEU B 26 1.729 -11.930 12.787 1.00 33.02 C ATOM 0 H LEU B 26 -1.541 -12.007 12.813 1.00 33.32 H new ATOM 0 HA LEU B 26 -1.369 -14.510 14.046 1.00 23.34 H new ATOM 0 HB2 LEU B 26 0.880 -14.622 12.871 1.00 65.54 H new ATOM 0 HB3 LEU B 26 -0.531 -14.375 11.861 1.00 65.54 H new ATOM 0 HG LEU B 26 1.480 -13.197 11.097 1.00 53.44 H new ATOM 0 HD11 LEU B 26 0.453 -10.996 10.656 1.00 44.00 H new ATOM 0 HD12 LEU B 26 -0.681 -12.346 10.411 1.00 44.00 H new ATOM 0 HD13 LEU B 26 -0.787 -11.351 11.883 1.00 44.00 H new ATOM 0 HD21 LEU B 26 2.219 -11.128 12.235 1.00 33.02 H new ATOM 0 HD22 LEU B 26 1.119 -11.502 13.582 1.00 33.02 H new ATOM 0 HD23 LEU B 26 2.484 -12.586 13.222 1.00 33.02 H new ATOM 2251 N SER B 27 1.157 -14.305 15.258 1.00 0.13 N ATOM 2252 CA SER B 27 2.021 -14.328 16.427 1.00 52.44 C ATOM 2253 C SER B 27 2.594 -12.948 16.762 1.00 41.04 C ATOM 2254 O SER B 27 2.922 -12.150 15.881 1.00 22.42 O ATOM 2255 CB SER B 27 3.175 -15.317 16.198 1.00 52.01 C ATOM 2256 OG SER B 27 4.040 -15.373 17.324 1.00 11.30 O ATOM 0 H SER B 27 1.420 -14.974 14.534 1.00 0.13 H new ATOM 0 HA SER B 27 1.410 -14.643 17.273 1.00 52.44 H new ATOM 0 HB2 SER B 27 2.771 -16.309 15.997 1.00 52.01 H new ATOM 0 HB3 SER B 27 3.742 -15.019 15.316 1.00 52.01 H new ATOM 0 HG SER B 27 4.763 -16.011 17.150 1.00 11.30 H new ATOM 2262 N ALA B 28 2.703 -12.710 18.045 1.00 64.34 N ATOM 2263 CA ALA B 28 3.247 -11.488 18.589 1.00 11.12 C ATOM 2264 C ALA B 28 4.695 -11.275 18.160 1.00 72.43 C ATOM 2265 O ALA B 28 5.066 -10.180 17.762 1.00 34.32 O ATOM 2266 CB ALA B 28 3.125 -11.507 20.092 1.00 42.13 C ATOM 0 H ALA B 28 2.409 -13.376 18.759 1.00 64.34 H new ATOM 0 HA ALA B 28 2.674 -10.649 18.194 1.00 11.12 H new ATOM 0 HB1 ALA B 28 3.536 -10.584 20.502 1.00 42.13 H new ATOM 0 HB2 ALA B 28 2.075 -11.592 20.371 1.00 42.13 H new ATOM 0 HB3 ALA B 28 3.676 -12.358 20.491 1.00 42.13 H new ATOM 2272 N GLU B 29 5.490 -12.311 18.207 1.00 44.33 N ATOM 2273 CA GLU B 29 6.901 -12.198 17.846 1.00 12.42 C ATOM 2274 C GLU B 29 7.080 -11.898 16.373 1.00 3.32 C ATOM 2275 O GLU B 29 7.998 -11.159 15.986 1.00 5.02 O ATOM 2276 CB GLU B 29 7.636 -13.443 18.266 1.00 34.44 C ATOM 2277 CG GLU B 29 7.672 -13.586 19.765 1.00 52.33 C ATOM 2278 CD GLU B 29 8.596 -12.598 20.420 1.00 42.43 C ATOM 2279 OE1 GLU B 29 8.158 -11.489 20.760 1.00 23.11 O ATOM 2280 OE2 GLU B 29 9.784 -12.923 20.607 1.00 31.15 O ATOM 0 H GLU B 29 5.197 -13.246 18.490 1.00 44.33 H new ATOM 0 HA GLU B 29 7.332 -11.352 18.381 1.00 12.42 H new ATOM 0 HB2 GLU B 29 7.153 -14.317 17.828 1.00 34.44 H new ATOM 0 HB3 GLU B 29 8.654 -13.414 17.878 1.00 34.44 H new ATOM 0 HG2 GLU B 29 6.666 -13.455 20.163 1.00 52.33 H new ATOM 0 HG3 GLU B 29 7.987 -14.597 20.022 1.00 52.33 H new ATOM 2287 N GLU B 30 6.167 -12.430 15.563 1.00 24.33 N ATOM 2288 CA GLU B 30 6.185 -12.173 14.134 1.00 42.44 C ATOM 2289 C GLU B 30 5.976 -10.682 13.932 1.00 52.04 C ATOM 2290 O GLU B 30 6.585 -10.069 13.071 1.00 31.23 O ATOM 2291 CB GLU B 30 5.042 -12.905 13.416 1.00 41.45 C ATOM 2292 CG GLU B 30 5.219 -13.015 11.913 1.00 31.44 C ATOM 2293 CD GLU B 30 6.489 -13.751 11.551 1.00 4.20 C ATOM 2294 OE1 GLU B 30 6.569 -14.985 11.796 1.00 14.50 O ATOM 2295 OE2 GLU B 30 7.416 -13.126 11.010 1.00 22.00 O ATOM 0 H GLU B 30 5.410 -13.039 15.875 1.00 24.33 H new ATOM 0 HA GLU B 30 7.134 -12.521 13.727 1.00 42.44 H new ATOM 0 HB2 GLU B 30 4.949 -13.908 13.834 1.00 41.45 H new ATOM 0 HB3 GLU B 30 4.106 -12.385 13.623 1.00 41.45 H new ATOM 0 HG2 GLU B 30 4.363 -13.534 11.483 1.00 31.44 H new ATOM 0 HG3 GLU B 30 5.240 -12.017 11.475 1.00 31.44 H new ATOM 2302 N LYS B 31 5.154 -10.092 14.815 1.00 13.53 N ATOM 2303 CA LYS B 31 4.768 -8.716 14.680 1.00 1.31 C ATOM 2304 C LYS B 31 5.928 -7.798 14.958 1.00 54.22 C ATOM 2305 O LYS B 31 6.227 -6.962 14.146 1.00 31.31 O ATOM 2306 CB LYS B 31 3.596 -8.353 15.581 1.00 11.23 C ATOM 2307 CG LYS B 31 2.352 -9.166 15.343 1.00 14.42 C ATOM 2308 CD LYS B 31 1.244 -8.716 16.253 1.00 45.44 C ATOM 2309 CE LYS B 31 0.068 -9.647 16.179 1.00 72.32 C ATOM 2310 NZ LYS B 31 -1.002 -9.257 17.117 1.00 22.43 N ATOM 0 H LYS B 31 4.754 -10.565 15.625 1.00 13.53 H new ATOM 0 HA LYS B 31 4.448 -8.585 13.646 1.00 1.31 H new ATOM 0 HB2 LYS B 31 3.901 -8.475 16.620 1.00 11.23 H new ATOM 0 HB3 LYS B 31 3.358 -7.299 15.440 1.00 11.23 H new ATOM 0 HG2 LYS B 31 2.039 -9.066 14.304 1.00 14.42 H new ATOM 0 HG3 LYS B 31 2.563 -10.222 15.513 1.00 14.42 H new ATOM 0 HD2 LYS B 31 1.609 -8.668 17.279 1.00 45.44 H new ATOM 0 HD3 LYS B 31 0.931 -7.708 15.979 1.00 45.44 H new ATOM 0 HE2 LYS B 31 -0.325 -9.655 15.162 1.00 72.32 H new ATOM 0 HE3 LYS B 31 0.394 -10.663 16.402 1.00 72.32 H new ATOM 0 HZ1 LYS B 31 -1.575 -10.091 17.357 1.00 22.43 H new ATOM 0 HZ2 LYS B 31 -0.579 -8.867 17.983 1.00 22.43 H new ATOM 0 HZ3 LYS B 31 -1.608 -8.538 16.673 1.00 22.43 H new ATOM 2324 N LYS B 32 6.637 -7.987 16.099 1.00 41.54 N ATOM 2325 CA LYS B 32 7.746 -7.077 16.440 1.00 35.34 C ATOM 2326 C LYS B 32 8.800 -7.038 15.360 1.00 71.40 C ATOM 2327 O LYS B 32 9.354 -5.980 15.059 1.00 32.33 O ATOM 2328 CB LYS B 32 8.418 -7.364 17.821 1.00 32.23 C ATOM 2329 CG LYS B 32 7.778 -6.736 19.104 1.00 22.23 C ATOM 2330 CD LYS B 32 6.528 -7.427 19.696 1.00 72.15 C ATOM 2331 CE LYS B 32 5.313 -7.432 18.803 1.00 12.11 C ATOM 2332 NZ LYS B 32 4.952 -6.074 18.302 1.00 42.33 N ATOM 0 H LYS B 32 6.466 -8.734 16.773 1.00 41.54 H new ATOM 0 HA LYS B 32 7.271 -6.099 16.519 1.00 35.34 H new ATOM 0 HB2 LYS B 32 8.446 -8.445 17.959 1.00 32.23 H new ATOM 0 HB3 LYS B 32 9.452 -7.023 17.765 1.00 32.23 H new ATOM 0 HG2 LYS B 32 8.543 -6.705 19.880 1.00 22.23 H new ATOM 0 HG3 LYS B 32 7.514 -5.703 18.876 1.00 22.23 H new ATOM 0 HD2 LYS B 32 6.784 -8.458 19.940 1.00 72.15 H new ATOM 0 HD3 LYS B 32 6.269 -6.933 20.632 1.00 72.15 H new ATOM 0 HE2 LYS B 32 5.496 -8.090 17.953 1.00 12.11 H new ATOM 0 HE3 LYS B 32 4.468 -7.847 19.351 1.00 12.11 H new ATOM 0 HZ1 LYS B 32 3.919 -5.958 18.328 1.00 42.33 H new ATOM 0 HZ2 LYS B 32 5.397 -5.352 18.904 1.00 42.33 H new ATOM 0 HZ3 LYS B 32 5.288 -5.964 17.324 1.00 42.33 H new ATOM 2346 N GLU B 33 9.053 -8.174 14.762 1.00 31.32 N ATOM 2347 CA GLU B 33 10.033 -8.263 13.717 1.00 62.21 C ATOM 2348 C GLU B 33 9.529 -7.569 12.441 1.00 72.03 C ATOM 2349 O GLU B 33 10.238 -6.745 11.876 1.00 53.32 O ATOM 2350 CB GLU B 33 10.399 -9.719 13.482 1.00 70.54 C ATOM 2351 CG GLU B 33 11.070 -10.373 14.694 1.00 10.31 C ATOM 2352 CD GLU B 33 12.529 -10.037 14.839 1.00 65.04 C ATOM 2353 OE1 GLU B 33 12.868 -8.935 15.342 1.00 64.44 O ATOM 2354 OE2 GLU B 33 13.366 -10.858 14.462 1.00 53.31 O ATOM 0 H GLU B 33 8.589 -9.054 14.985 1.00 31.32 H new ATOM 0 HA GLU B 33 10.940 -7.739 14.019 1.00 62.21 H new ATOM 0 HB2 GLU B 33 9.498 -10.277 13.228 1.00 70.54 H new ATOM 0 HB3 GLU B 33 11.068 -9.785 12.624 1.00 70.54 H new ATOM 0 HG2 GLU B 33 10.545 -10.064 15.598 1.00 10.31 H new ATOM 0 HG3 GLU B 33 10.963 -11.455 14.616 1.00 10.31 H new ATOM 2361 N ILE B 34 8.278 -7.859 12.037 1.00 53.35 N ATOM 2362 CA ILE B 34 7.700 -7.264 10.810 1.00 63.15 C ATOM 2363 C ILE B 34 7.548 -5.760 10.948 1.00 2.33 C ATOM 2364 O ILE B 34 7.743 -5.025 9.979 1.00 42.04 O ATOM 2365 CB ILE B 34 6.360 -7.907 10.317 1.00 3.34 C ATOM 2366 CG1 ILE B 34 5.259 -7.785 11.370 1.00 25.13 C ATOM 2367 CG2 ILE B 34 6.573 -9.351 9.900 1.00 3.01 C ATOM 2368 CD1 ILE B 34 3.936 -8.443 11.003 1.00 30.23 C ATOM 0 H ILE B 34 7.652 -8.493 12.533 1.00 53.35 H new ATOM 0 HA ILE B 34 8.428 -7.494 10.032 1.00 63.15 H new ATOM 0 HB ILE B 34 6.028 -7.352 9.439 1.00 3.34 H new ATOM 0 HG12 ILE B 34 5.619 -8.223 12.301 1.00 25.13 H new ATOM 0 HG13 ILE B 34 5.079 -6.728 11.564 1.00 25.13 H new ATOM 0 HG21 ILE B 34 5.628 -9.775 9.562 1.00 3.01 H new ATOM 0 HG22 ILE B 34 7.300 -9.392 9.089 1.00 3.01 H new ATOM 0 HG23 ILE B 34 6.944 -9.924 10.750 1.00 3.01 H new ATOM 0 HD11 ILE B 34 3.222 -8.301 11.814 1.00 30.23 H new ATOM 0 HD12 ILE B 34 3.545 -7.991 10.092 1.00 30.23 H new ATOM 0 HD13 ILE B 34 4.093 -9.509 10.840 1.00 30.23 H new ATOM 2380 N ASP B 35 7.235 -5.300 12.170 1.00 42.12 N ATOM 2381 CA ASP B 35 7.075 -3.874 12.446 1.00 2.54 C ATOM 2382 C ASP B 35 8.376 -3.143 12.152 1.00 74.35 C ATOM 2383 O ASP B 35 8.382 -2.073 11.549 1.00 72.21 O ATOM 2384 CB ASP B 35 6.704 -3.589 13.933 1.00 65.11 C ATOM 2385 CG ASP B 35 5.327 -4.053 14.408 1.00 72.32 C ATOM 2386 OD1 ASP B 35 4.337 -3.736 13.777 1.00 71.02 O ATOM 2387 OD2 ASP B 35 5.239 -4.720 15.470 1.00 15.24 O ATOM 0 H ASP B 35 7.089 -5.901 12.981 1.00 42.12 H new ATOM 0 HA ASP B 35 6.263 -3.525 11.808 1.00 2.54 H new ATOM 0 HB2 ASP B 35 7.456 -4.060 14.566 1.00 65.11 H new ATOM 0 HB3 ASP B 35 6.775 -2.514 14.099 1.00 65.11 H new ATOM 2392 N LYS B 36 9.473 -3.748 12.567 1.00 41.32 N ATOM 2393 CA LYS B 36 10.793 -3.148 12.427 1.00 62.41 C ATOM 2394 C LYS B 36 11.354 -3.266 11.029 1.00 53.55 C ATOM 2395 O LYS B 36 12.174 -2.443 10.617 1.00 12.33 O ATOM 2396 CB LYS B 36 11.794 -3.728 13.417 1.00 22.10 C ATOM 2397 CG LYS B 36 11.463 -3.473 14.862 1.00 75.31 C ATOM 2398 CD LYS B 36 12.571 -3.976 15.748 1.00 63.40 C ATOM 2399 CE LYS B 36 12.279 -3.718 17.200 1.00 44.15 C ATOM 2400 NZ LYS B 36 13.409 -4.122 18.061 1.00 32.33 N ATOM 0 H LYS B 36 9.478 -4.667 13.010 1.00 41.32 H new ATOM 0 HA LYS B 36 10.644 -2.090 12.644 1.00 62.41 H new ATOM 0 HB2 LYS B 36 11.861 -4.804 13.257 1.00 22.10 H new ATOM 0 HB3 LYS B 36 12.779 -3.312 13.204 1.00 22.10 H new ATOM 0 HG2 LYS B 36 11.314 -2.406 15.025 1.00 75.31 H new ATOM 0 HG3 LYS B 36 10.527 -3.969 15.121 1.00 75.31 H new ATOM 0 HD2 LYS B 36 12.708 -5.045 15.588 1.00 63.40 H new ATOM 0 HD3 LYS B 36 13.507 -3.490 15.473 1.00 63.40 H new ATOM 0 HE2 LYS B 36 12.069 -2.659 17.347 1.00 44.15 H new ATOM 0 HE3 LYS B 36 11.383 -4.264 17.494 1.00 44.15 H new ATOM 0 HZ1 LYS B 36 13.173 -3.930 19.056 1.00 32.33 H new ATOM 0 HZ2 LYS B 36 13.593 -5.138 17.939 1.00 32.33 H new ATOM 0 HZ3 LYS B 36 14.258 -3.582 17.796 1.00 32.33 H new ATOM 2414 N ARG B 37 10.929 -4.254 10.296 1.00 74.42 N ATOM 2415 CA ARG B 37 11.517 -4.501 9.002 1.00 24.41 C ATOM 2416 C ARG B 37 10.577 -4.136 7.865 1.00 21.05 C ATOM 2417 O ARG B 37 10.624 -4.712 6.774 1.00 14.15 O ATOM 2418 CB ARG B 37 12.097 -5.931 8.919 1.00 12.31 C ATOM 2419 CG ARG B 37 11.119 -7.054 9.135 1.00 31.50 C ATOM 2420 CD ARG B 37 11.835 -8.367 9.347 1.00 74.54 C ATOM 2421 NE ARG B 37 12.669 -8.329 10.565 1.00 23.15 N ATOM 2422 CZ ARG B 37 13.330 -9.370 11.095 1.00 13.41 C ATOM 2423 NH1 ARG B 37 13.296 -10.556 10.513 1.00 53.52 N ATOM 2424 NH2 ARG B 37 14.031 -9.209 12.197 1.00 43.14 N ATOM 0 H ARG B 37 10.185 -4.899 10.564 1.00 74.42 H new ATOM 0 HA ARG B 37 12.367 -3.830 8.878 1.00 24.41 H new ATOM 0 HB2 ARG B 37 12.556 -6.059 7.939 1.00 12.31 H new ATOM 0 HB3 ARG B 37 12.893 -6.022 9.658 1.00 12.31 H new ATOM 0 HG2 ARG B 37 10.493 -6.834 10.000 1.00 31.50 H new ATOM 0 HG3 ARG B 37 10.456 -7.133 8.274 1.00 31.50 H new ATOM 0 HD2 ARG B 37 11.106 -9.173 9.427 1.00 74.54 H new ATOM 0 HD3 ARG B 37 12.460 -8.587 8.482 1.00 74.54 H new ATOM 0 HE ARG B 37 12.750 -7.433 11.046 1.00 23.15 H new ATOM 0 HH11 ARG B 37 12.764 -10.687 9.653 1.00 53.52 H new ATOM 0 HH12 ARG B 37 13.802 -11.341 10.924 1.00 53.52 H new ATOM 0 HH21 ARG B 37 14.071 -8.294 12.647 1.00 43.14 H new ATOM 0 HH22 ARG B 37 14.534 -9.999 12.601 1.00 43.14 H new ATOM 2438 N SER B 38 9.778 -3.137 8.124 1.00 21.33 N ATOM 2439 CA SER B 38 8.925 -2.546 7.137 1.00 52.43 C ATOM 2440 C SER B 38 9.667 -1.330 6.570 1.00 63.21 C ATOM 2441 O SER B 38 10.570 -0.772 7.222 1.00 54.35 O ATOM 2442 CB SER B 38 7.608 -2.090 7.827 1.00 31.11 C ATOM 2443 OG SER B 38 6.662 -1.544 6.913 1.00 62.11 O ATOM 0 H SER B 38 9.702 -2.705 9.045 1.00 21.33 H new ATOM 0 HA SER B 38 8.682 -3.249 6.340 1.00 52.43 H new ATOM 0 HB2 SER B 38 7.160 -2.941 8.341 1.00 31.11 H new ATOM 0 HB3 SER B 38 7.842 -1.345 8.588 1.00 31.11 H new ATOM 0 HG SER B 38 6.451 -2.209 6.224 1.00 62.11 H new ATOM 2449 N VAL B 39 9.337 -0.936 5.379 1.00 24.20 N ATOM 2450 CA VAL B 39 9.936 0.235 4.794 1.00 70.42 C ATOM 2451 C VAL B 39 8.888 1.076 4.140 1.00 4.55 C ATOM 2452 O VAL B 39 7.813 0.587 3.775 1.00 72.44 O ATOM 2453 CB VAL B 39 11.089 -0.058 3.768 1.00 33.10 C ATOM 2454 CG1 VAL B 39 12.219 -0.851 4.376 1.00 75.32 C ATOM 2455 CG2 VAL B 39 10.583 -0.693 2.484 1.00 70.20 C ATOM 0 H VAL B 39 8.653 -1.407 4.786 1.00 24.20 H new ATOM 0 HA VAL B 39 10.401 0.766 5.625 1.00 70.42 H new ATOM 0 HB VAL B 39 11.498 0.915 3.497 1.00 33.10 H new ATOM 0 HG11 VAL B 39 12.988 -1.025 3.623 1.00 75.32 H new ATOM 0 HG12 VAL B 39 12.647 -0.294 5.210 1.00 75.32 H new ATOM 0 HG13 VAL B 39 11.840 -1.808 4.735 1.00 75.32 H new ATOM 0 HG21 VAL B 39 11.422 -0.873 1.812 1.00 70.20 H new ATOM 0 HG22 VAL B 39 10.093 -1.639 2.714 1.00 70.20 H new ATOM 0 HG23 VAL B 39 9.870 -0.023 2.003 1.00 70.20 H new ATOM 2465 N TYR B 40 9.210 2.306 3.977 1.00 63.41 N ATOM 2466 CA TYR B 40 8.383 3.269 3.361 1.00 24.23 C ATOM 2467 C TYR B 40 8.970 3.571 2.030 1.00 1.04 C ATOM 2468 O TYR B 40 10.125 3.977 1.945 1.00 21.22 O ATOM 2469 CB TYR B 40 8.337 4.572 4.208 1.00 13.21 C ATOM 2470 CG TYR B 40 7.880 5.786 3.439 1.00 2.24 C ATOM 2471 CD1 TYR B 40 6.558 6.010 3.207 1.00 24.15 C ATOM 2472 CD2 TYR B 40 8.802 6.703 2.940 1.00 61.51 C ATOM 2473 CE1 TYR B 40 6.132 7.092 2.515 1.00 54.12 C ATOM 2474 CE2 TYR B 40 8.401 7.801 2.233 1.00 52.31 C ATOM 2475 CZ TYR B 40 7.054 8.006 2.019 1.00 24.53 C ATOM 2476 OH TYR B 40 6.618 9.113 1.299 1.00 4.20 O ATOM 0 H TYR B 40 10.105 2.685 4.287 1.00 63.41 H new ATOM 0 HA TYR B 40 7.367 2.886 3.270 1.00 24.23 H new ATOM 0 HB2 TYR B 40 7.669 4.419 5.056 1.00 13.21 H new ATOM 0 HB3 TYR B 40 9.330 4.764 4.615 1.00 13.21 H new ATOM 0 HD1 TYR B 40 5.831 5.307 3.585 1.00 24.15 H new ATOM 0 HD2 TYR B 40 9.856 6.543 3.116 1.00 61.51 H new ATOM 0 HE1 TYR B 40 5.076 7.245 2.348 1.00 54.12 H new ATOM 0 HE2 TYR B 40 9.129 8.499 1.847 1.00 52.31 H new ATOM 0 HH TYR B 40 7.391 9.651 1.026 1.00 4.20 H new ATOM 2486 N VAL B 41 8.232 3.332 1.015 1.00 51.05 N ATOM 2487 CA VAL B 41 8.620 3.691 -0.298 1.00 22.04 C ATOM 2488 C VAL B 41 7.553 4.593 -0.833 1.00 12.44 C ATOM 2489 O VAL B 41 6.459 4.156 -1.111 1.00 1.50 O ATOM 2490 CB VAL B 41 8.740 2.464 -1.207 1.00 23.25 C ATOM 2491 CG1 VAL B 41 9.149 2.883 -2.618 1.00 3.24 C ATOM 2492 CG2 VAL B 41 9.738 1.478 -0.630 1.00 34.24 C ATOM 0 H VAL B 41 7.323 2.873 1.071 1.00 51.05 H new ATOM 0 HA VAL B 41 9.596 4.176 -0.273 1.00 22.04 H new ATOM 0 HB VAL B 41 7.767 1.976 -1.265 1.00 23.25 H new ATOM 0 HG11 VAL B 41 9.230 1.999 -3.251 1.00 3.24 H new ATOM 0 HG12 VAL B 41 8.398 3.557 -3.030 1.00 3.24 H new ATOM 0 HG13 VAL B 41 10.112 3.392 -2.582 1.00 3.24 H new ATOM 0 HG21 VAL B 41 9.813 0.611 -1.286 1.00 34.24 H new ATOM 0 HG22 VAL B 41 10.714 1.956 -0.546 1.00 34.24 H new ATOM 0 HG23 VAL B 41 9.404 1.158 0.357 1.00 34.24 H new ATOM 2502 N GLY B 42 7.834 5.832 -0.947 1.00 32.02 N ATOM 2503 CA GLY B 42 6.813 6.716 -1.385 1.00 10.30 C ATOM 2504 C GLY B 42 6.979 7.127 -2.809 1.00 75.42 C ATOM 2505 O GLY B 42 8.022 6.851 -3.428 1.00 11.52 O ATOM 0 H GLY B 42 8.740 6.257 -0.750 1.00 32.02 H new ATOM 0 HA2 GLY B 42 5.843 6.234 -1.261 1.00 10.30 H new ATOM 0 HA3 GLY B 42 6.811 7.604 -0.753 1.00 10.30 H new ATOM 2509 N ASN B 43 5.955 7.805 -3.302 1.00 25.12 N ATOM 2510 CA ASN B 43 5.864 8.332 -4.679 1.00 61.43 C ATOM 2511 C ASN B 43 5.788 7.201 -5.735 1.00 72.33 C ATOM 2512 O ASN B 43 6.186 7.380 -6.865 1.00 12.23 O ATOM 2513 CB ASN B 43 7.050 9.304 -4.963 1.00 11.14 C ATOM 2514 CG ASN B 43 6.883 10.118 -6.249 1.00 33.25 C ATOM 2515 OD1 ASN B 43 5.765 10.436 -6.656 1.00 70.13 O ATOM 2516 ND2 ASN B 43 7.975 10.474 -6.876 1.00 2.32 N ATOM 0 H ASN B 43 5.128 8.018 -2.744 1.00 25.12 H new ATOM 0 HA ASN B 43 4.932 8.891 -4.762 1.00 61.43 H new ATOM 0 HB2 ASN B 43 7.157 9.988 -4.121 1.00 11.14 H new ATOM 0 HB3 ASN B 43 7.973 8.728 -5.025 1.00 11.14 H new ATOM 0 HD21 ASN B 43 7.915 11.031 -7.728 1.00 2.32 H new ATOM 0 HD22 ASN B 43 8.886 10.194 -6.513 1.00 2.32 H new ATOM 2523 N VAL B 44 5.240 6.050 -5.354 1.00 21.42 N ATOM 2524 CA VAL B 44 5.029 4.946 -6.318 1.00 63.41 C ATOM 2525 C VAL B 44 4.140 5.422 -7.466 1.00 3.23 C ATOM 2526 O VAL B 44 3.151 6.137 -7.262 1.00 2.33 O ATOM 2527 CB VAL B 44 4.451 3.647 -5.647 1.00 64.33 C ATOM 2528 CG1 VAL B 44 3.071 3.861 -5.071 1.00 71.25 C ATOM 2529 CG2 VAL B 44 4.452 2.477 -6.613 1.00 2.42 C ATOM 0 H VAL B 44 4.934 5.848 -4.402 1.00 21.42 H new ATOM 0 HA VAL B 44 6.006 4.667 -6.713 1.00 63.41 H new ATOM 0 HB VAL B 44 5.115 3.407 -4.816 1.00 64.33 H new ATOM 0 HG11 VAL B 44 2.717 2.934 -4.620 1.00 71.25 H new ATOM 0 HG12 VAL B 44 3.111 4.642 -4.312 1.00 71.25 H new ATOM 0 HG13 VAL B 44 2.388 4.161 -5.865 1.00 71.25 H new ATOM 0 HG21 VAL B 44 4.046 1.595 -6.117 1.00 2.42 H new ATOM 0 HG22 VAL B 44 3.838 2.720 -7.480 1.00 2.42 H new ATOM 0 HG23 VAL B 44 5.473 2.274 -6.937 1.00 2.42 H new ATOM 2539 N ASP B 45 4.546 5.090 -8.670 1.00 73.22 N ATOM 2540 CA ASP B 45 3.832 5.498 -9.852 1.00 52.52 C ATOM 2541 C ASP B 45 2.556 4.688 -9.979 1.00 14.44 C ATOM 2542 O ASP B 45 2.528 3.517 -9.613 1.00 54.20 O ATOM 2543 CB ASP B 45 4.724 5.341 -11.096 1.00 53.32 C ATOM 2544 CG ASP B 45 4.047 5.757 -12.380 1.00 72.34 C ATOM 2545 OD1 ASP B 45 4.137 6.943 -12.768 1.00 23.23 O ATOM 2546 OD2 ASP B 45 3.429 4.907 -13.027 1.00 31.42 O ATOM 0 H ASP B 45 5.379 4.531 -8.855 1.00 73.22 H new ATOM 0 HA ASP B 45 3.564 6.551 -9.770 1.00 52.52 H new ATOM 0 HB2 ASP B 45 5.628 5.935 -10.962 1.00 53.32 H new ATOM 0 HB3 ASP B 45 5.036 4.300 -11.180 1.00 53.32 H new ATOM 2551 N TYR B 46 1.523 5.315 -10.506 1.00 13.02 N ATOM 2552 CA TYR B 46 0.184 4.719 -10.638 1.00 13.42 C ATOM 2553 C TYR B 46 0.223 3.468 -11.548 1.00 14.11 C ATOM 2554 O TYR B 46 -0.672 2.618 -11.511 1.00 23.22 O ATOM 2555 CB TYR B 46 -0.749 5.793 -11.212 1.00 55.42 C ATOM 2556 CG TYR B 46 -2.238 5.496 -11.198 1.00 31.21 C ATOM 2557 CD1 TYR B 46 -3.010 5.830 -10.095 1.00 12.15 C ATOM 2558 CD2 TYR B 46 -2.876 4.926 -12.292 1.00 72.42 C ATOM 2559 CE1 TYR B 46 -4.354 5.605 -10.071 1.00 31.44 C ATOM 2560 CE2 TYR B 46 -4.236 4.702 -12.282 1.00 23.25 C ATOM 2561 CZ TYR B 46 -4.972 5.042 -11.169 1.00 52.50 C ATOM 2562 OH TYR B 46 -6.331 4.833 -11.160 1.00 13.42 O ATOM 0 H TYR B 46 1.579 6.269 -10.864 1.00 13.02 H new ATOM 0 HA TYR B 46 -0.180 4.388 -9.665 1.00 13.42 H new ATOM 0 HB2 TYR B 46 -0.583 6.716 -10.657 1.00 55.42 H new ATOM 0 HB3 TYR B 46 -0.452 5.983 -12.243 1.00 55.42 H new ATOM 0 HD1 TYR B 46 -2.535 6.279 -9.235 1.00 12.15 H new ATOM 0 HD2 TYR B 46 -2.298 4.654 -13.163 1.00 72.42 H new ATOM 0 HE1 TYR B 46 -4.932 5.866 -9.197 1.00 31.44 H new ATOM 0 HE2 TYR B 46 -4.721 4.263 -13.141 1.00 23.25 H new ATOM 0 HH TYR B 46 -6.606 4.430 -12.010 1.00 13.42 H new ATOM 2572 N GLY B 47 1.273 3.364 -12.347 1.00 55.32 N ATOM 2573 CA GLY B 47 1.434 2.245 -13.218 1.00 72.04 C ATOM 2574 C GLY B 47 2.402 1.214 -12.668 1.00 14.41 C ATOM 2575 O GLY B 47 2.646 0.190 -13.311 1.00 73.01 O ATOM 0 H GLY B 47 2.023 4.054 -12.399 1.00 55.32 H new ATOM 0 HA2 GLY B 47 0.464 1.776 -13.384 1.00 72.04 H new ATOM 0 HA3 GLY B 47 1.790 2.592 -14.188 1.00 72.04 H new ATOM 2579 N SER B 48 2.974 1.468 -11.490 1.00 53.43 N ATOM 2580 CA SER B 48 3.861 0.513 -10.904 1.00 31.10 C ATOM 2581 C SER B 48 3.043 -0.513 -10.138 1.00 65.30 C ATOM 2582 O SER B 48 2.133 -0.161 -9.388 1.00 33.13 O ATOM 2583 CB SER B 48 4.836 1.223 -9.997 1.00 4.40 C ATOM 2584 OG SER B 48 5.523 2.221 -10.728 1.00 74.42 O ATOM 0 H SER B 48 2.830 2.318 -10.945 1.00 53.43 H new ATOM 0 HA SER B 48 4.431 -0.002 -11.677 1.00 31.10 H new ATOM 0 HB2 SER B 48 4.306 1.673 -9.157 1.00 4.40 H new ATOM 0 HB3 SER B 48 5.546 0.509 -9.580 1.00 4.40 H new ATOM 0 HG SER B 48 6.155 2.682 -10.138 1.00 74.42 H new ATOM 2590 N THR B 49 3.342 -1.765 -10.328 1.00 64.22 N ATOM 2591 CA THR B 49 2.574 -2.780 -9.688 1.00 45.20 C ATOM 2592 C THR B 49 3.385 -3.507 -8.673 1.00 21.30 C ATOM 2593 O THR B 49 4.582 -3.237 -8.510 1.00 54.34 O ATOM 2594 CB THR B 49 2.011 -3.794 -10.670 1.00 53.21 C ATOM 2595 OG1 THR B 49 3.076 -4.504 -11.347 1.00 54.45 O ATOM 2596 CG2 THR B 49 1.095 -3.135 -11.677 1.00 14.24 C ATOM 0 H THR B 49 4.105 -2.101 -10.916 1.00 64.22 H new ATOM 0 HA THR B 49 1.743 -2.264 -9.206 1.00 45.20 H new ATOM 0 HB THR B 49 1.424 -4.513 -10.098 1.00 53.21 H new ATOM 0 HG1 THR B 49 3.513 -3.905 -11.987 1.00 54.45 H new ATOM 0 HG21 THR B 49 0.709 -3.887 -12.365 1.00 14.24 H new ATOM 0 HG22 THR B 49 0.264 -2.659 -11.156 1.00 14.24 H new ATOM 0 HG23 THR B 49 1.651 -2.383 -12.237 1.00 14.24 H new ATOM 2604 N ALA B 50 2.752 -4.454 -8.004 1.00 5.44 N ATOM 2605 CA ALA B 50 3.399 -5.242 -7.013 1.00 1.34 C ATOM 2606 C ALA B 50 4.547 -6.047 -7.618 1.00 53.41 C ATOM 2607 O ALA B 50 5.604 -6.106 -7.051 1.00 31.54 O ATOM 2608 CB ALA B 50 2.381 -6.139 -6.313 1.00 33.10 C ATOM 0 H ALA B 50 1.769 -4.686 -8.146 1.00 5.44 H new ATOM 0 HA ALA B 50 3.836 -4.581 -6.264 1.00 1.34 H new ATOM 0 HB1 ALA B 50 2.885 -6.739 -5.555 1.00 33.10 H new ATOM 0 HB2 ALA B 50 1.618 -5.522 -5.839 1.00 33.10 H new ATOM 0 HB3 ALA B 50 1.912 -6.797 -7.045 1.00 33.10 H new ATOM 2614 N GLN B 51 4.313 -6.649 -8.801 1.00 52.41 N ATOM 2615 CA GLN B 51 5.365 -7.412 -9.513 1.00 11.50 C ATOM 2616 C GLN B 51 6.591 -6.537 -9.824 1.00 74.35 C ATOM 2617 O GLN B 51 7.736 -6.980 -9.655 1.00 52.24 O ATOM 2618 CB GLN B 51 4.845 -8.001 -10.827 1.00 42.21 C ATOM 2619 CG GLN B 51 3.616 -8.881 -10.708 1.00 63.21 C ATOM 2620 CD GLN B 51 3.246 -9.517 -12.039 1.00 24.10 C ATOM 2621 OE1 GLN B 51 4.106 -9.838 -12.853 1.00 24.25 O ATOM 2622 NE2 GLN B 51 1.982 -9.622 -12.308 1.00 53.04 N ATOM 0 H GLN B 51 3.414 -6.624 -9.283 1.00 52.41 H new ATOM 0 HA GLN B 51 5.657 -8.220 -8.842 1.00 11.50 H new ATOM 0 HB2 GLN B 51 4.618 -7.181 -11.508 1.00 42.21 H new ATOM 0 HB3 GLN B 51 5.644 -8.584 -11.285 1.00 42.21 H new ATOM 0 HG2 GLN B 51 3.798 -9.662 -9.970 1.00 63.21 H new ATOM 0 HG3 GLN B 51 2.778 -8.287 -10.343 1.00 63.21 H new ATOM 0 HE21 GLN B 51 1.288 -9.348 -11.613 1.00 53.04 H new ATOM 0 HE22 GLN B 51 1.682 -9.979 -13.215 1.00 53.04 H new ATOM 2631 N ASP B 52 6.344 -5.298 -10.283 1.00 21.23 N ATOM 2632 CA ASP B 52 7.442 -4.350 -10.587 1.00 44.33 C ATOM 2633 C ASP B 52 8.241 -4.091 -9.346 1.00 42.24 C ATOM 2634 O ASP B 52 9.486 -4.161 -9.337 1.00 25.40 O ATOM 2635 CB ASP B 52 6.925 -2.986 -11.089 1.00 71.32 C ATOM 2636 CG ASP B 52 6.187 -3.031 -12.381 1.00 22.43 C ATOM 2637 OD1 ASP B 52 6.833 -3.028 -13.448 1.00 64.51 O ATOM 2638 OD2 ASP B 52 4.946 -3.048 -12.357 1.00 33.55 O ATOM 0 H ASP B 52 5.408 -4.928 -10.452 1.00 21.23 H new ATOM 0 HA ASP B 52 8.043 -4.812 -11.370 1.00 44.33 H new ATOM 0 HB2 ASP B 52 6.271 -2.560 -10.328 1.00 71.32 H new ATOM 0 HB3 ASP B 52 7.773 -2.309 -11.195 1.00 71.32 H new ATOM 2643 N LEU B 53 7.525 -3.814 -8.298 1.00 72.20 N ATOM 2644 CA LEU B 53 8.103 -3.483 -7.043 1.00 3.11 C ATOM 2645 C LEU B 53 8.801 -4.652 -6.394 1.00 13.41 C ATOM 2646 O LEU B 53 9.939 -4.517 -5.972 1.00 74.44 O ATOM 2647 CB LEU B 53 7.040 -2.914 -6.123 1.00 12.45 C ATOM 2648 CG LEU B 53 6.482 -1.544 -6.486 1.00 12.43 C ATOM 2649 CD1 LEU B 53 5.457 -1.139 -5.473 1.00 23.30 C ATOM 2650 CD2 LEU B 53 7.592 -0.498 -6.564 1.00 3.11 C ATOM 0 H LEU B 53 6.505 -3.813 -8.298 1.00 72.20 H new ATOM 0 HA LEU B 53 8.870 -2.730 -7.226 1.00 3.11 H new ATOM 0 HB2 LEU B 53 6.210 -3.620 -6.085 1.00 12.45 H new ATOM 0 HB3 LEU B 53 7.456 -2.856 -5.117 1.00 12.45 H new ATOM 0 HG LEU B 53 6.017 -1.608 -7.470 1.00 12.43 H new ATOM 0 HD11 LEU B 53 5.057 -0.159 -5.732 1.00 23.30 H new ATOM 0 HD12 LEU B 53 4.648 -1.869 -5.462 1.00 23.30 H new ATOM 0 HD13 LEU B 53 5.918 -1.094 -4.487 1.00 23.30 H new ATOM 0 HD21 LEU B 53 7.163 0.469 -6.825 1.00 3.11 H new ATOM 0 HD22 LEU B 53 8.091 -0.425 -5.598 1.00 3.11 H new ATOM 0 HD23 LEU B 53 8.315 -0.791 -7.325 1.00 3.11 H new ATOM 2662 N GLU B 54 8.153 -5.799 -6.355 1.00 21.13 N ATOM 2663 CA GLU B 54 8.684 -6.984 -5.699 1.00 10.43 C ATOM 2664 C GLU B 54 10.024 -7.356 -6.281 1.00 24.42 C ATOM 2665 O GLU B 54 10.961 -7.529 -5.544 1.00 64.20 O ATOM 2666 CB GLU B 54 7.644 -8.113 -5.891 1.00 60.41 C ATOM 2667 CG GLU B 54 7.870 -9.446 -5.159 1.00 5.02 C ATOM 2668 CD GLU B 54 9.064 -10.231 -5.644 1.00 63.11 C ATOM 2669 OE1 GLU B 54 9.106 -10.581 -6.834 1.00 43.41 O ATOM 2670 OE2 GLU B 54 9.937 -10.555 -4.841 1.00 21.23 O ATOM 0 H GLU B 54 7.236 -5.939 -6.780 1.00 21.13 H new ATOM 0 HA GLU B 54 8.848 -6.805 -4.636 1.00 10.43 H new ATOM 0 HB2 GLU B 54 6.673 -7.726 -5.584 1.00 60.41 H new ATOM 0 HB3 GLU B 54 7.579 -8.327 -6.958 1.00 60.41 H new ATOM 0 HG2 GLU B 54 7.991 -9.246 -4.094 1.00 5.02 H new ATOM 0 HG3 GLU B 54 6.977 -10.062 -5.268 1.00 5.02 H new ATOM 2677 N ALA B 55 10.116 -7.416 -7.594 1.00 70.24 N ATOM 2678 CA ALA B 55 11.389 -7.716 -8.246 1.00 20.02 C ATOM 2679 C ALA B 55 12.465 -6.719 -7.812 1.00 3.42 C ATOM 2680 O ALA B 55 13.609 -7.105 -7.459 1.00 43.24 O ATOM 2681 CB ALA B 55 11.230 -7.700 -9.754 1.00 55.55 C ATOM 0 H ALA B 55 9.335 -7.263 -8.232 1.00 70.24 H new ATOM 0 HA ALA B 55 11.703 -8.714 -7.942 1.00 20.02 H new ATOM 0 HB1 ALA B 55 12.188 -7.925 -10.223 1.00 55.55 H new ATOM 0 HB2 ALA B 55 10.496 -8.449 -10.050 1.00 55.55 H new ATOM 0 HB3 ALA B 55 10.892 -6.714 -10.074 1.00 55.55 H new ATOM 2687 N HIS B 56 12.078 -5.458 -7.756 1.00 64.23 N ATOM 2688 CA HIS B 56 13.011 -4.397 -7.441 1.00 62.00 C ATOM 2689 C HIS B 56 13.469 -4.476 -5.974 1.00 72.14 C ATOM 2690 O HIS B 56 14.646 -4.302 -5.688 1.00 41.43 O ATOM 2691 CB HIS B 56 12.415 -3.012 -7.769 1.00 62.44 C ATOM 2692 CG HIS B 56 13.393 -1.866 -7.641 1.00 34.54 C ATOM 2693 ND1 HIS B 56 14.013 -1.283 -8.720 1.00 1.22 N ATOM 2694 CD2 HIS B 56 13.842 -1.196 -6.558 1.00 43.23 C ATOM 2695 CE1 HIS B 56 14.797 -0.315 -8.311 1.00 12.53 C ATOM 2696 NE2 HIS B 56 14.717 -0.237 -6.999 1.00 53.50 N ATOM 0 H HIS B 56 11.122 -5.145 -7.925 1.00 64.23 H new ATOM 0 HA HIS B 56 13.891 -4.533 -8.069 1.00 62.00 H new ATOM 0 HB2 HIS B 56 12.025 -3.029 -8.787 1.00 62.44 H new ATOM 0 HB3 HIS B 56 11.569 -2.828 -7.107 1.00 62.44 H new ATOM 0 HD2 HIS B 56 13.563 -1.382 -5.531 1.00 43.23 H new ATOM 0 HE1 HIS B 56 15.406 0.313 -8.944 1.00 12.53 H new ATOM 0 HE2 HIS B 56 15.221 0.426 -6.410 1.00 53.50 H new ATOM 2705 N PHE B 57 12.551 -4.748 -5.049 1.00 34.24 N ATOM 2706 CA PHE B 57 12.919 -4.817 -3.642 1.00 70.24 C ATOM 2707 C PHE B 57 13.548 -6.165 -3.304 1.00 22.10 C ATOM 2708 O PHE B 57 14.321 -6.278 -2.357 1.00 33.51 O ATOM 2709 CB PHE B 57 11.723 -4.542 -2.732 1.00 45.04 C ATOM 2710 CG PHE B 57 11.096 -3.201 -2.938 1.00 32.12 C ATOM 2711 CD1 PHE B 57 11.768 -2.040 -2.624 1.00 40.41 C ATOM 2712 CD2 PHE B 57 9.824 -3.102 -3.437 1.00 62.54 C ATOM 2713 CE1 PHE B 57 11.164 -0.820 -2.817 1.00 32.51 C ATOM 2714 CE2 PHE B 57 9.236 -1.879 -3.622 1.00 51.45 C ATOM 2715 CZ PHE B 57 9.904 -0.754 -3.314 1.00 1.13 C ATOM 0 H PHE B 57 11.565 -4.921 -5.245 1.00 34.24 H new ATOM 0 HA PHE B 57 13.660 -4.037 -3.465 1.00 70.24 H new ATOM 0 HB2 PHE B 57 10.970 -5.313 -2.897 1.00 45.04 H new ATOM 0 HB3 PHE B 57 12.043 -4.626 -1.693 1.00 45.04 H new ATOM 0 HD1 PHE B 57 12.771 -2.088 -2.226 1.00 40.41 H new ATOM 0 HD2 PHE B 57 9.278 -4.000 -3.688 1.00 62.54 H new ATOM 0 HE1 PHE B 57 11.695 0.088 -2.572 1.00 32.51 H new ATOM 0 HE2 PHE B 57 8.232 -1.818 -4.017 1.00 51.45 H new ATOM 0 HZ PHE B 57 9.435 0.207 -3.463 1.00 1.13 H new ATOM 2725 N SER B 58 13.245 -7.174 -4.111 1.00 43.22 N ATOM 2726 CA SER B 58 13.722 -8.524 -3.874 1.00 43.11 C ATOM 2727 C SER B 58 15.207 -8.590 -4.156 1.00 11.24 C ATOM 2728 O SER B 58 15.925 -9.441 -3.615 1.00 75.45 O ATOM 2729 CB SER B 58 12.965 -9.538 -4.747 1.00 5.54 C ATOM 2730 OG SER B 58 13.350 -10.879 -4.472 1.00 2.42 O ATOM 0 H SER B 58 12.664 -7.077 -4.944 1.00 43.22 H new ATOM 0 HA SER B 58 13.540 -8.782 -2.831 1.00 43.11 H new ATOM 0 HB2 SER B 58 11.893 -9.429 -4.581 1.00 5.54 H new ATOM 0 HB3 SER B 58 13.149 -9.318 -5.799 1.00 5.54 H new ATOM 0 HG SER B 58 12.844 -11.489 -5.048 1.00 2.42 H new ATOM 2736 N SER B 59 15.688 -7.680 -4.996 1.00 62.53 N ATOM 2737 CA SER B 59 17.093 -7.605 -5.275 1.00 2.12 C ATOM 2738 C SER B 59 17.872 -7.230 -3.984 1.00 33.23 C ATOM 2739 O SER B 59 19.044 -7.585 -3.820 1.00 71.10 O ATOM 2740 CB SER B 59 17.329 -6.578 -6.380 1.00 23.01 C ATOM 2741 OG SER B 59 16.544 -6.896 -7.536 1.00 4.35 O ATOM 0 H SER B 59 15.117 -6.992 -5.487 1.00 62.53 H new ATOM 0 HA SER B 59 17.457 -8.575 -5.615 1.00 2.12 H new ATOM 0 HB2 SER B 59 17.071 -5.582 -6.020 1.00 23.01 H new ATOM 0 HB3 SER B 59 18.386 -6.557 -6.645 1.00 23.01 H new ATOM 0 HG SER B 59 15.595 -6.761 -7.334 1.00 4.35 H new ATOM 2747 N CYS B 60 17.200 -6.528 -3.075 1.00 74.33 N ATOM 2748 CA CYS B 60 17.793 -6.113 -1.815 1.00 52.33 C ATOM 2749 C CYS B 60 17.437 -7.063 -0.651 1.00 33.21 C ATOM 2750 O CYS B 60 17.785 -6.791 0.501 1.00 64.11 O ATOM 2751 CB CYS B 60 17.343 -4.689 -1.485 1.00 71.40 C ATOM 2752 SG CYS B 60 17.746 -3.480 -2.771 1.00 32.53 S ATOM 0 H CYS B 60 16.231 -6.233 -3.195 1.00 74.33 H new ATOM 0 HA CYS B 60 18.876 -6.148 -1.934 1.00 52.33 H new ATOM 0 HB2 CYS B 60 16.265 -4.687 -1.322 1.00 71.40 H new ATOM 0 HB3 CYS B 60 17.807 -4.379 -0.549 1.00 71.40 H new ATOM 0 HG CYS B 60 18.140 -2.372 -2.217 1.00 32.53 H new ATOM 2758 N GLY B 61 16.794 -8.184 -0.941 1.00 50.23 N ATOM 2759 CA GLY B 61 16.456 -9.080 0.147 1.00 74.32 C ATOM 2760 C GLY B 61 15.211 -9.906 -0.047 1.00 52.54 C ATOM 2761 O GLY B 61 14.674 -10.015 -1.151 1.00 63.11 O ATOM 0 H GLY B 61 16.508 -8.483 -1.873 1.00 50.23 H new ATOM 0 HA2 GLY B 61 17.296 -9.755 0.311 1.00 74.32 H new ATOM 0 HA3 GLY B 61 16.340 -8.490 1.056 1.00 74.32 H new ATOM 2765 N SER B 62 14.751 -10.473 1.041 1.00 71.20 N ATOM 2766 CA SER B 62 13.634 -11.379 1.047 1.00 43.52 C ATOM 2767 C SER B 62 12.363 -10.620 1.450 1.00 0.13 C ATOM 2768 O SER B 62 12.332 -9.986 2.500 1.00 23.02 O ATOM 2769 CB SER B 62 13.939 -12.468 2.076 1.00 64.34 C ATOM 2770 OG SER B 62 15.238 -13.026 1.850 1.00 72.31 O ATOM 0 H SER B 62 15.152 -10.313 1.965 1.00 71.20 H new ATOM 0 HA SER B 62 13.478 -11.816 0.061 1.00 43.52 H new ATOM 0 HB2 SER B 62 13.887 -12.051 3.082 1.00 64.34 H new ATOM 0 HB3 SER B 62 13.185 -13.253 2.017 1.00 64.34 H new ATOM 0 HG SER B 62 15.871 -12.656 2.500 1.00 72.31 H new ATOM 2776 N ILE B 63 11.340 -10.663 0.622 1.00 21.44 N ATOM 2777 CA ILE B 63 10.096 -9.947 0.907 1.00 50.55 C ATOM 2778 C ILE B 63 9.091 -10.778 1.730 1.00 1.24 C ATOM 2779 O ILE B 63 8.834 -11.943 1.439 1.00 53.24 O ATOM 2780 CB ILE B 63 9.439 -9.411 -0.392 1.00 71.52 C ATOM 2781 CG1 ILE B 63 10.385 -8.418 -1.079 1.00 73.54 C ATOM 2782 CG2 ILE B 63 8.074 -8.774 -0.120 1.00 31.41 C ATOM 2783 CD1 ILE B 63 9.834 -7.824 -2.349 1.00 72.23 C ATOM 0 H ILE B 63 11.337 -11.183 -0.255 1.00 21.44 H new ATOM 0 HA ILE B 63 10.377 -9.096 1.528 1.00 50.55 H new ATOM 0 HB ILE B 63 9.264 -10.255 -1.059 1.00 71.52 H new ATOM 0 HG12 ILE B 63 10.616 -7.611 -0.383 1.00 73.54 H new ATOM 0 HG13 ILE B 63 11.324 -8.923 -1.304 1.00 73.54 H new ATOM 0 HG21 ILE B 63 7.649 -8.412 -1.056 1.00 31.41 H new ATOM 0 HG22 ILE B 63 7.407 -9.516 0.319 1.00 31.41 H new ATOM 0 HG23 ILE B 63 8.193 -7.940 0.571 1.00 31.41 H new ATOM 0 HD11 ILE B 63 10.562 -7.133 -2.773 1.00 72.23 H new ATOM 0 HD12 ILE B 63 9.630 -8.621 -3.065 1.00 72.23 H new ATOM 0 HD13 ILE B 63 8.911 -7.288 -2.129 1.00 72.23 H new ATOM 2795 N ASN B 64 8.568 -10.151 2.768 1.00 24.55 N ATOM 2796 CA ASN B 64 7.562 -10.726 3.664 1.00 52.10 C ATOM 2797 C ASN B 64 6.172 -10.214 3.285 1.00 3.31 C ATOM 2798 O ASN B 64 5.211 -10.990 3.169 1.00 34.51 O ATOM 2799 CB ASN B 64 7.944 -10.380 5.136 1.00 22.42 C ATOM 2800 CG ASN B 64 6.961 -10.796 6.222 1.00 31.55 C ATOM 2801 OD1 ASN B 64 5.760 -10.698 6.081 1.00 54.52 O ATOM 2802 ND2 ASN B 64 7.491 -11.331 7.297 1.00 14.42 N ATOM 0 H ASN B 64 8.834 -9.200 3.024 1.00 24.55 H new ATOM 0 HA ASN B 64 7.536 -11.811 3.568 1.00 52.10 H new ATOM 0 HB2 ASN B 64 8.906 -10.844 5.354 1.00 22.42 H new ATOM 0 HB3 ASN B 64 8.087 -9.302 5.204 1.00 22.42 H new ATOM 0 HD21 ASN B 64 6.889 -11.679 8.043 1.00 14.42 H new ATOM 0 HD22 ASN B 64 8.505 -11.399 7.386 1.00 14.42 H new ATOM 2809 N ARG B 65 6.084 -8.929 3.052 1.00 60.22 N ATOM 2810 CA ARG B 65 4.839 -8.295 2.656 1.00 33.44 C ATOM 2811 C ARG B 65 5.142 -7.139 1.740 1.00 50.44 C ATOM 2812 O ARG B 65 6.250 -6.623 1.734 1.00 4.42 O ATOM 2813 CB ARG B 65 4.052 -7.716 3.835 1.00 53.51 C ATOM 2814 CG ARG B 65 3.607 -8.655 4.940 1.00 54.11 C ATOM 2815 CD ARG B 65 2.808 -7.839 5.933 1.00 70.22 C ATOM 2816 NE ARG B 65 2.181 -8.612 7.010 1.00 53.42 N ATOM 2817 CZ ARG B 65 1.600 -8.029 8.072 1.00 63.14 C ATOM 2818 NH1 ARG B 65 1.730 -6.712 8.247 1.00 15.11 N ATOM 2819 NH2 ARG B 65 0.899 -8.751 8.949 1.00 1.15 N ATOM 0 H ARG B 65 6.872 -8.286 3.130 1.00 60.22 H new ATOM 0 HA ARG B 65 4.242 -9.073 2.180 1.00 33.44 H new ATOM 0 HB2 ARG B 65 4.662 -6.935 4.289 1.00 53.51 H new ATOM 0 HB3 ARG B 65 3.162 -7.232 3.433 1.00 53.51 H new ATOM 0 HG2 ARG B 65 3.002 -9.466 4.534 1.00 54.11 H new ATOM 0 HG3 ARG B 65 4.469 -9.113 5.425 1.00 54.11 H new ATOM 0 HD2 ARG B 65 3.465 -7.092 6.378 1.00 70.22 H new ATOM 0 HD3 ARG B 65 2.030 -7.299 5.394 1.00 70.22 H new ATOM 0 HE ARG B 65 2.186 -9.630 6.951 1.00 53.42 H new ATOM 0 HH11 ARG B 65 2.266 -6.159 7.578 1.00 15.11 H new ATOM 0 HH12 ARG B 65 1.293 -6.259 9.050 1.00 15.11 H new ATOM 0 HH21 ARG B 65 0.800 -9.758 8.817 1.00 1.15 H new ATOM 0 HH22 ARG B 65 0.463 -8.296 9.751 1.00 1.15 H new ATOM 2833 N ILE B 66 4.175 -6.756 0.978 1.00 54.44 N ATOM 2834 CA ILE B 66 4.239 -5.594 0.131 1.00 51.04 C ATOM 2835 C ILE B 66 2.863 -4.985 -0.015 1.00 35.21 C ATOM 2836 O ILE B 66 1.894 -5.674 -0.343 1.00 33.05 O ATOM 2837 CB ILE B 66 4.969 -5.821 -1.245 1.00 54.25 C ATOM 2838 CG1 ILE B 66 4.547 -4.812 -2.333 1.00 54.31 C ATOM 2839 CG2 ILE B 66 4.907 -7.248 -1.715 1.00 43.42 C ATOM 2840 CD1 ILE B 66 5.339 -4.926 -3.620 1.00 65.22 C ATOM 0 H ILE B 66 3.286 -7.253 0.919 1.00 54.44 H new ATOM 0 HA ILE B 66 4.884 -4.873 0.633 1.00 51.04 H new ATOM 0 HB ILE B 66 6.022 -5.617 -1.051 1.00 54.25 H new ATOM 0 HG12 ILE B 66 3.489 -4.954 -2.555 1.00 54.31 H new ATOM 0 HG13 ILE B 66 4.657 -3.802 -1.939 1.00 54.31 H new ATOM 0 HG21 ILE B 66 5.428 -7.340 -2.668 1.00 43.42 H new ATOM 0 HG22 ILE B 66 5.383 -7.895 -0.978 1.00 43.42 H new ATOM 0 HG23 ILE B 66 3.866 -7.545 -1.840 1.00 43.42 H new ATOM 0 HD11 ILE B 66 4.982 -4.183 -4.334 1.00 65.22 H new ATOM 0 HD12 ILE B 66 6.395 -4.753 -3.414 1.00 65.22 H new ATOM 0 HD13 ILE B 66 5.210 -5.924 -4.040 1.00 65.22 H new ATOM 2852 N THR B 67 2.791 -3.718 0.256 1.00 0.45 N ATOM 2853 CA THR B 67 1.561 -2.988 0.260 1.00 23.32 C ATOM 2854 C THR B 67 1.707 -1.787 -0.659 1.00 72.52 C ATOM 2855 O THR B 67 2.702 -1.089 -0.587 1.00 11.24 O ATOM 2856 CB THR B 67 1.231 -2.525 1.700 1.00 42.21 C ATOM 2857 OG1 THR B 67 1.239 -3.649 2.588 1.00 32.42 O ATOM 2858 CG2 THR B 67 -0.125 -1.835 1.761 1.00 63.12 C ATOM 0 H THR B 67 3.606 -3.149 0.486 1.00 0.45 H new ATOM 0 HA THR B 67 0.748 -3.622 -0.093 1.00 23.32 H new ATOM 0 HB THR B 67 1.994 -1.809 2.007 1.00 42.21 H new ATOM 0 HG1 THR B 67 1.031 -3.349 3.497 1.00 32.42 H new ATOM 0 HG21 THR B 67 -0.328 -1.522 2.785 1.00 63.12 H new ATOM 0 HG22 THR B 67 -0.119 -0.962 1.109 1.00 63.12 H new ATOM 0 HG23 THR B 67 -0.901 -2.527 1.433 1.00 63.12 H new ATOM 2866 N ILE B 68 0.744 -1.547 -1.517 1.00 24.41 N ATOM 2867 CA ILE B 68 0.812 -0.421 -2.417 1.00 3.40 C ATOM 2868 C ILE B 68 -0.506 0.307 -2.288 1.00 41.32 C ATOM 2869 O ILE B 68 -1.552 -0.299 -2.454 1.00 75.33 O ATOM 2870 CB ILE B 68 0.964 -0.802 -3.947 1.00 51.33 C ATOM 2871 CG1 ILE B 68 1.944 -1.952 -4.232 1.00 72.25 C ATOM 2872 CG2 ILE B 68 1.411 0.413 -4.745 1.00 61.43 C ATOM 2873 CD1 ILE B 68 1.403 -3.329 -3.900 1.00 4.22 C ATOM 0 H ILE B 68 -0.097 -2.117 -1.611 1.00 24.41 H new ATOM 0 HA ILE B 68 1.694 0.157 -2.142 1.00 3.40 H new ATOM 0 HB ILE B 68 -0.025 -1.147 -4.250 1.00 51.33 H new ATOM 0 HG12 ILE B 68 2.219 -1.927 -5.287 1.00 72.25 H new ATOM 0 HG13 ILE B 68 2.857 -1.786 -3.661 1.00 72.25 H new ATOM 0 HG21 ILE B 68 1.513 0.141 -5.796 1.00 61.43 H new ATOM 0 HG22 ILE B 68 0.670 1.206 -4.646 1.00 61.43 H new ATOM 0 HG23 ILE B 68 2.371 0.764 -4.366 1.00 61.43 H new ATOM 0 HD11 ILE B 68 2.157 -4.082 -4.131 1.00 4.22 H new ATOM 0 HD12 ILE B 68 1.155 -3.377 -2.840 1.00 4.22 H new ATOM 0 HD13 ILE B 68 0.507 -3.520 -4.491 1.00 4.22 H new ATOM 2885 N LEU B 69 -0.474 1.546 -1.943 1.00 62.30 N ATOM 2886 CA LEU B 69 -1.699 2.321 -1.856 1.00 61.42 C ATOM 2887 C LEU B 69 -1.633 3.510 -2.767 1.00 5.11 C ATOM 2888 O LEU B 69 -0.621 4.189 -2.808 1.00 11.03 O ATOM 2889 CB LEU B 69 -2.117 2.734 -0.415 1.00 31.13 C ATOM 2890 CG LEU B 69 -1.163 3.612 0.398 1.00 62.22 C ATOM 2891 CD1 LEU B 69 -1.866 4.110 1.652 1.00 4.23 C ATOM 2892 CD2 LEU B 69 0.052 2.822 0.804 1.00 25.40 C ATOM 0 H LEU B 69 0.377 2.060 -1.713 1.00 62.30 H new ATOM 0 HA LEU B 69 -2.491 1.649 -2.187 1.00 61.42 H new ATOM 0 HB2 LEU B 69 -3.071 3.256 -0.483 1.00 31.13 H new ATOM 0 HB3 LEU B 69 -2.293 1.821 0.154 1.00 31.13 H new ATOM 0 HG LEU B 69 -0.858 4.457 -0.219 1.00 62.22 H new ATOM 0 HD11 LEU B 69 -1.183 4.735 2.228 1.00 4.23 H new ATOM 0 HD12 LEU B 69 -2.742 4.694 1.370 1.00 4.23 H new ATOM 0 HD13 LEU B 69 -2.177 3.259 2.257 1.00 4.23 H new ATOM 0 HD21 LEU B 69 0.723 3.458 1.382 1.00 25.40 H new ATOM 0 HD22 LEU B 69 -0.254 1.970 1.412 1.00 25.40 H new ATOM 0 HD23 LEU B 69 0.568 2.465 -0.087 1.00 25.40 H new ATOM 2904 N CYS B 70 -2.683 3.754 -3.484 1.00 71.03 N ATOM 2905 CA CYS B 70 -2.773 4.882 -4.369 1.00 14.41 C ATOM 2906 C CYS B 70 -3.877 5.793 -3.859 1.00 72.14 C ATOM 2907 O CYS B 70 -5.002 5.329 -3.606 1.00 51.43 O ATOM 2908 CB CYS B 70 -3.090 4.406 -5.790 1.00 30.35 C ATOM 2909 SG CYS B 70 -1.887 3.233 -6.458 1.00 71.12 S ATOM 0 H CYS B 70 -3.518 3.168 -3.474 1.00 71.03 H new ATOM 0 HA CYS B 70 -1.826 5.422 -4.395 1.00 14.41 H new ATOM 0 HB2 CYS B 70 -4.076 3.942 -5.795 1.00 30.35 H new ATOM 0 HB3 CYS B 70 -3.142 5.272 -6.449 1.00 30.35 H new ATOM 0 HG CYS B 70 -2.240 2.887 -7.660 1.00 71.12 H new ATOM 2915 N ASP B 71 -3.577 7.057 -3.667 1.00 72.22 N ATOM 2916 CA ASP B 71 -4.562 7.972 -3.143 1.00 0.55 C ATOM 2917 C ASP B 71 -5.016 8.900 -4.245 1.00 22.35 C ATOM 2918 O ASP B 71 -4.198 9.478 -4.952 1.00 71.25 O ATOM 2919 CB ASP B 71 -3.989 8.747 -1.936 1.00 72.45 C ATOM 2920 CG ASP B 71 -2.897 9.733 -2.276 1.00 15.24 C ATOM 2921 OD1 ASP B 71 -3.214 10.891 -2.615 1.00 11.32 O ATOM 2922 OD2 ASP B 71 -1.717 9.375 -2.172 1.00 65.44 O ATOM 0 H ASP B 71 -2.666 7.472 -3.864 1.00 72.22 H new ATOM 0 HA ASP B 71 -5.429 7.417 -2.785 1.00 0.55 H new ATOM 0 HB2 ASP B 71 -4.803 9.282 -1.447 1.00 72.45 H new ATOM 0 HB3 ASP B 71 -3.599 8.030 -1.214 1.00 72.45 H new ATOM 2927 N LYS B 72 -6.306 8.997 -4.451 1.00 24.42 N ATOM 2928 CA LYS B 72 -6.827 9.837 -5.517 1.00 60.11 C ATOM 2929 C LYS B 72 -7.815 10.852 -4.947 1.00 55.54 C ATOM 2930 O LYS B 72 -8.517 11.534 -5.692 1.00 13.33 O ATOM 2931 CB LYS B 72 -7.528 8.954 -6.584 1.00 24.42 C ATOM 2932 CG LYS B 72 -6.666 7.785 -7.081 1.00 52.43 C ATOM 2933 CD LYS B 72 -7.348 6.957 -8.183 1.00 24.14 C ATOM 2934 CE LYS B 72 -7.407 7.705 -9.512 1.00 63.01 C ATOM 2935 NZ LYS B 72 -8.107 6.928 -10.569 1.00 63.21 N ATOM 0 H LYS B 72 -7.016 8.511 -3.903 1.00 24.42 H new ATOM 0 HA LYS B 72 -6.002 10.374 -5.984 1.00 60.11 H new ATOM 0 HB2 LYS B 72 -8.453 8.559 -6.165 1.00 24.42 H new ATOM 0 HB3 LYS B 72 -7.804 9.578 -7.434 1.00 24.42 H new ATOM 0 HG2 LYS B 72 -5.721 8.174 -7.460 1.00 52.43 H new ATOM 0 HG3 LYS B 72 -6.429 7.134 -6.240 1.00 52.43 H new ATOM 0 HD2 LYS B 72 -6.807 6.020 -8.319 1.00 24.14 H new ATOM 0 HD3 LYS B 72 -8.359 6.699 -7.868 1.00 24.14 H new ATOM 0 HE2 LYS B 72 -7.917 8.658 -9.367 1.00 63.01 H new ATOM 0 HE3 LYS B 72 -6.394 7.933 -9.843 1.00 63.01 H new ATOM 0 HZ1 LYS B 72 -8.302 7.546 -11.383 1.00 63.21 H new ATOM 0 HZ2 LYS B 72 -7.506 6.135 -10.872 1.00 63.21 H new ATOM 0 HZ3 LYS B 72 -9.003 6.559 -10.192 1.00 63.21 H new ATOM 2949 N PHE B 73 -7.855 10.951 -3.613 1.00 52.33 N ATOM 2950 CA PHE B 73 -8.789 11.840 -2.914 1.00 30.14 C ATOM 2951 C PHE B 73 -8.601 13.325 -3.248 1.00 54.12 C ATOM 2952 O PHE B 73 -9.530 14.127 -3.087 1.00 24.34 O ATOM 2953 CB PHE B 73 -8.768 11.606 -1.385 1.00 4.51 C ATOM 2954 CG PHE B 73 -7.475 11.909 -0.667 1.00 74.41 C ATOM 2955 CD1 PHE B 73 -7.225 13.179 -0.167 1.00 30.41 C ATOM 2956 CD2 PHE B 73 -6.530 10.925 -0.472 1.00 71.42 C ATOM 2957 CE1 PHE B 73 -6.051 13.459 0.507 1.00 51.12 C ATOM 2958 CE2 PHE B 73 -5.351 11.199 0.207 1.00 42.13 C ATOM 2959 CZ PHE B 73 -5.114 12.467 0.694 1.00 2.32 C ATOM 0 H PHE B 73 -7.245 10.420 -2.991 1.00 52.33 H new ATOM 0 HA PHE B 73 -9.776 11.571 -3.290 1.00 30.14 H new ATOM 0 HB2 PHE B 73 -9.555 12.213 -0.938 1.00 4.51 H new ATOM 0 HB3 PHE B 73 -9.024 10.563 -1.197 1.00 4.51 H new ATOM 0 HD1 PHE B 73 -7.958 13.960 -0.306 1.00 30.41 H new ATOM 0 HD2 PHE B 73 -6.709 9.930 -0.852 1.00 71.42 H new ATOM 0 HE1 PHE B 73 -5.869 14.454 0.886 1.00 51.12 H new ATOM 0 HE2 PHE B 73 -4.619 10.419 0.354 1.00 42.13 H new ATOM 0 HZ PHE B 73 -4.196 12.682 1.221 1.00 2.32 H new ATOM 2969 N SER B 74 -7.431 13.682 -3.700 1.00 33.43 N ATOM 2970 CA SER B 74 -7.142 15.052 -4.055 1.00 2.44 C ATOM 2971 C SER B 74 -7.293 15.244 -5.566 1.00 61.35 C ATOM 2972 O SER B 74 -6.842 16.243 -6.127 1.00 62.22 O ATOM 2973 CB SER B 74 -5.715 15.388 -3.637 1.00 22.45 C ATOM 2974 OG SER B 74 -5.506 15.102 -2.269 1.00 54.12 O ATOM 0 H SER B 74 -6.651 13.038 -3.834 1.00 33.43 H new ATOM 0 HA SER B 74 -7.841 15.713 -3.543 1.00 2.44 H new ATOM 0 HB2 SER B 74 -5.011 14.817 -4.243 1.00 22.45 H new ATOM 0 HB3 SER B 74 -5.516 16.443 -3.826 1.00 22.45 H new ATOM 0 HG SER B 74 -6.278 14.614 -1.915 1.00 54.12 H new ATOM 2980 N GLY B 75 -7.911 14.286 -6.224 1.00 75.30 N ATOM 2981 CA GLY B 75 -8.086 14.361 -7.651 1.00 13.30 C ATOM 2982 C GLY B 75 -6.918 13.743 -8.379 1.00 71.03 C ATOM 2983 O GLY B 75 -7.098 12.992 -9.342 1.00 42.44 O ATOM 0 H GLY B 75 -8.299 13.448 -5.790 1.00 75.30 H new ATOM 0 HA2 GLY B 75 -9.006 13.849 -7.934 1.00 13.30 H new ATOM 0 HA3 GLY B 75 -8.195 15.403 -7.952 1.00 13.30 H new ATOM 2987 N HIS B 76 -5.721 14.061 -7.921 1.00 61.21 N ATOM 2988 CA HIS B 76 -4.508 13.528 -8.500 1.00 70.11 C ATOM 2989 C HIS B 76 -4.110 12.263 -7.788 1.00 44.32 C ATOM 2990 O HIS B 76 -3.984 12.249 -6.563 1.00 32.25 O ATOM 2991 CB HIS B 76 -3.350 14.537 -8.459 1.00 35.43 C ATOM 2992 CG HIS B 76 -3.549 15.763 -9.296 1.00 53.35 C ATOM 2993 ND1 HIS B 76 -2.947 15.942 -10.516 1.00 61.04 N ATOM 2994 CD2 HIS B 76 -4.262 16.887 -9.065 1.00 4.14 C ATOM 2995 CE1 HIS B 76 -3.281 17.115 -11.003 1.00 22.42 C ATOM 2996 NE2 HIS B 76 -4.082 17.711 -10.144 1.00 14.24 N ATOM 0 H HIS B 76 -5.566 14.696 -7.138 1.00 61.21 H new ATOM 0 HA HIS B 76 -4.717 13.313 -9.548 1.00 70.11 H new ATOM 0 HB2 HIS B 76 -3.191 14.843 -7.425 1.00 35.43 H new ATOM 0 HB3 HIS B 76 -2.439 14.036 -8.787 1.00 35.43 H new ATOM 0 HD2 HIS B 76 -4.862 17.097 -8.192 1.00 4.14 H new ATOM 0 HE1 HIS B 76 -2.954 17.522 -11.948 1.00 22.42 H new ATOM 0 HE2 HIS B 76 -4.499 18.634 -10.263 1.00 14.24 H new ATOM 3005 N PRO B 77 -3.927 11.191 -8.539 1.00 70.44 N ATOM 3006 CA PRO B 77 -3.551 9.897 -7.991 1.00 61.21 C ATOM 3007 C PRO B 77 -2.079 9.822 -7.609 1.00 63.33 C ATOM 3008 O PRO B 77 -1.182 10.019 -8.457 1.00 44.04 O ATOM 3009 CB PRO B 77 -3.822 8.953 -9.149 1.00 65.13 C ATOM 3010 CG PRO B 77 -3.646 9.776 -10.371 1.00 31.43 C ATOM 3011 CD PRO B 77 -4.084 11.151 -10.006 1.00 2.14 C ATOM 0 HA PRO B 77 -4.097 9.672 -7.075 1.00 61.21 H new ATOM 0 HB2 PRO B 77 -3.132 8.110 -9.139 1.00 65.13 H new ATOM 0 HB3 PRO B 77 -4.830 8.541 -9.094 1.00 65.13 H new ATOM 0 HG2 PRO B 77 -2.606 9.772 -10.698 1.00 31.43 H new ATOM 0 HG3 PRO B 77 -4.241 9.383 -11.195 1.00 31.43 H new ATOM 0 HD2 PRO B 77 -3.472 11.909 -10.495 1.00 2.14 H new ATOM 0 HD3 PRO B 77 -5.117 11.334 -10.303 1.00 2.14 H new ATOM 3019 N LYS B 78 -1.816 9.579 -6.353 1.00 1.01 N ATOM 3020 CA LYS B 78 -0.458 9.399 -5.884 1.00 70.33 C ATOM 3021 C LYS B 78 -0.341 8.013 -5.313 1.00 62.23 C ATOM 3022 O LYS B 78 -1.185 7.163 -5.590 1.00 55.41 O ATOM 3023 CB LYS B 78 -0.136 10.387 -4.778 1.00 51.24 C ATOM 3024 CG LYS B 78 -0.512 11.818 -5.056 1.00 11.42 C ATOM 3025 CD LYS B 78 0.267 12.770 -4.144 1.00 42.30 C ATOM 3026 CE LYS B 78 0.189 12.361 -2.674 1.00 34.13 C ATOM 3027 NZ LYS B 78 -1.168 12.413 -2.127 1.00 23.34 N ATOM 0 H LYS B 78 -2.528 9.500 -5.626 1.00 1.01 H new ATOM 0 HA LYS B 78 0.229 9.554 -6.716 1.00 70.33 H new ATOM 0 HB2 LYS B 78 -0.645 10.066 -3.869 1.00 51.24 H new ATOM 0 HB3 LYS B 78 0.934 10.344 -4.576 1.00 51.24 H new ATOM 0 HG2 LYS B 78 -0.307 12.057 -6.099 1.00 11.42 H new ATOM 0 HG3 LYS B 78 -1.583 11.954 -4.903 1.00 11.42 H new ATOM 0 HD2 LYS B 78 1.311 12.795 -4.456 1.00 42.30 H new ATOM 0 HD3 LYS B 78 -0.125 13.781 -4.259 1.00 42.30 H new ATOM 0 HE2 LYS B 78 0.578 11.349 -2.565 1.00 34.13 H new ATOM 0 HE3 LYS B 78 0.834 13.015 -2.088 1.00 34.13 H new ATOM 0 HZ1 LYS B 78 -1.171 12.013 -1.167 1.00 23.34 H new ATOM 0 HZ2 LYS B 78 -1.490 13.401 -2.091 1.00 23.34 H new ATOM 0 HZ3 LYS B 78 -1.808 11.862 -2.734 1.00 23.34 H new ATOM 3041 N GLY B 79 0.669 7.782 -4.498 1.00 53.42 N ATOM 3042 CA GLY B 79 0.815 6.495 -3.927 1.00 62.31 C ATOM 3043 C GLY B 79 2.020 6.347 -3.038 1.00 32.45 C ATOM 3044 O GLY B 79 2.995 7.116 -3.132 1.00 14.03 O ATOM 0 H GLY B 79 1.378 8.465 -4.231 1.00 53.42 H new ATOM 0 HA2 GLY B 79 -0.080 6.263 -3.349 1.00 62.31 H new ATOM 0 HA3 GLY B 79 0.876 5.759 -4.729 1.00 62.31 H new ATOM 3048 N TYR B 80 1.946 5.365 -2.170 1.00 2.42 N ATOM 3049 CA TYR B 80 3.047 4.969 -1.322 1.00 63.12 C ATOM 3050 C TYR B 80 3.074 3.441 -1.362 1.00 62.31 C ATOM 3051 O TYR B 80 2.043 2.810 -1.629 1.00 50.23 O ATOM 3052 CB TYR B 80 2.855 5.352 0.165 1.00 61.23 C ATOM 3053 CG TYR B 80 2.431 6.765 0.538 1.00 12.53 C ATOM 3054 CD1 TYR B 80 3.214 7.857 0.238 1.00 60.43 C ATOM 3055 CD2 TYR B 80 1.238 6.982 1.256 1.00 45.40 C ATOM 3056 CE1 TYR B 80 2.831 9.131 0.622 1.00 21.03 C ATOM 3057 CE2 TYR B 80 0.853 8.257 1.656 1.00 62.33 C ATOM 3058 CZ TYR B 80 1.662 9.323 1.327 1.00 73.01 C ATOM 3059 OH TYR B 80 1.318 10.585 1.720 1.00 2.22 O ATOM 0 H TYR B 80 1.103 4.808 -2.031 1.00 2.42 H new ATOM 0 HA TYR B 80 3.948 5.465 -1.683 1.00 63.12 H new ATOM 0 HB2 TYR B 80 2.114 4.670 0.582 1.00 61.23 H new ATOM 0 HB3 TYR B 80 3.797 5.151 0.676 1.00 61.23 H new ATOM 0 HD1 TYR B 80 4.138 7.718 -0.303 1.00 60.43 H new ATOM 0 HD2 TYR B 80 0.609 6.139 1.501 1.00 45.40 H new ATOM 0 HE1 TYR B 80 3.451 9.978 0.368 1.00 21.03 H new ATOM 0 HE2 TYR B 80 -0.060 8.408 2.212 1.00 62.33 H new ATOM 0 HH TYR B 80 0.467 10.556 2.206 1.00 2.22 H new ATOM 3069 N ALA B 81 4.201 2.852 -1.139 1.00 53.35 N ATOM 3070 CA ALA B 81 4.308 1.428 -1.044 1.00 13.44 C ATOM 3071 C ALA B 81 5.117 1.050 0.186 1.00 60.13 C ATOM 3072 O ALA B 81 6.179 1.600 0.417 1.00 73.01 O ATOM 3073 CB ALA B 81 4.939 0.847 -2.303 1.00 70.43 C ATOM 0 H ALA B 81 5.084 3.347 -1.016 1.00 53.35 H new ATOM 0 HA ALA B 81 3.306 1.009 -0.948 1.00 13.44 H new ATOM 0 HB1 ALA B 81 5.010 -0.236 -2.208 1.00 70.43 H new ATOM 0 HB2 ALA B 81 4.323 1.096 -3.167 1.00 70.43 H new ATOM 0 HB3 ALA B 81 5.937 1.266 -2.436 1.00 70.43 H new ATOM 3079 N TYR B 82 4.615 0.158 0.979 1.00 54.11 N ATOM 3080 CA TYR B 82 5.327 -0.274 2.162 1.00 54.33 C ATOM 3081 C TYR B 82 5.693 -1.697 1.979 1.00 34.05 C ATOM 3082 O TYR B 82 4.818 -2.531 1.721 1.00 41.11 O ATOM 3083 CB TYR B 82 4.459 -0.137 3.404 1.00 13.53 C ATOM 3084 CG TYR B 82 3.893 1.230 3.578 1.00 20.32 C ATOM 3085 CD1 TYR B 82 4.667 2.275 4.039 1.00 52.04 C ATOM 3086 CD2 TYR B 82 2.575 1.475 3.281 1.00 10.45 C ATOM 3087 CE1 TYR B 82 4.132 3.531 4.179 1.00 23.42 C ATOM 3088 CE2 TYR B 82 2.043 2.716 3.426 1.00 30.42 C ATOM 3089 CZ TYR B 82 2.813 3.732 3.864 1.00 42.25 C ATOM 3090 OH TYR B 82 2.282 4.958 3.957 1.00 45.14 O ATOM 0 H TYR B 82 3.711 -0.293 0.837 1.00 54.11 H new ATOM 0 HA TYR B 82 6.212 0.347 2.298 1.00 54.33 H new ATOM 0 HB2 TYR B 82 3.642 -0.857 3.350 1.00 13.53 H new ATOM 0 HB3 TYR B 82 5.051 -0.392 4.283 1.00 13.53 H new ATOM 0 HD1 TYR B 82 5.703 2.103 4.292 1.00 52.04 H new ATOM 0 HD2 TYR B 82 1.951 0.668 2.926 1.00 10.45 H new ATOM 0 HE1 TYR B 82 4.742 4.350 4.532 1.00 23.42 H new ATOM 0 HE2 TYR B 82 1.003 2.889 3.190 1.00 30.42 H new ATOM 0 HH TYR B 82 2.082 5.297 3.059 1.00 45.14 H new ATOM 3100 N ILE B 83 6.951 -1.998 2.053 1.00 0.11 N ATOM 3101 CA ILE B 83 7.359 -3.361 1.865 1.00 54.51 C ATOM 3102 C ILE B 83 7.924 -3.868 3.175 1.00 32.50 C ATOM 3103 O ILE B 83 8.779 -3.217 3.774 1.00 53.21 O ATOM 3104 CB ILE B 83 8.495 -3.530 0.792 1.00 32.35 C ATOM 3105 CG1 ILE B 83 8.292 -2.717 -0.501 1.00 12.12 C ATOM 3106 CG2 ILE B 83 8.773 -4.979 0.461 1.00 72.05 C ATOM 3107 CD1 ILE B 83 6.911 -2.655 -1.073 1.00 74.02 C ATOM 0 H ILE B 83 7.704 -1.335 2.239 1.00 0.11 H new ATOM 0 HA ILE B 83 6.481 -3.910 1.526 1.00 54.51 H new ATOM 0 HB ILE B 83 9.372 -3.108 1.283 1.00 32.35 H new ATOM 0 HG12 ILE B 83 8.622 -1.696 -0.311 1.00 12.12 H new ATOM 0 HG13 ILE B 83 8.953 -3.129 -1.264 1.00 12.12 H new ATOM 0 HG21 ILE B 83 9.566 -5.036 -0.285 1.00 72.05 H new ATOM 0 HG22 ILE B 83 9.085 -5.505 1.363 1.00 72.05 H new ATOM 0 HG23 ILE B 83 7.869 -5.442 0.066 1.00 72.05 H new ATOM 0 HD11 ILE B 83 6.920 -2.050 -1.980 1.00 74.02 H new ATOM 0 HD12 ILE B 83 6.571 -3.663 -1.312 1.00 74.02 H new ATOM 0 HD13 ILE B 83 6.235 -2.207 -0.344 1.00 74.02 H new ATOM 3119 N GLU B 84 7.458 -4.991 3.613 1.00 32.33 N ATOM 3120 CA GLU B 84 8.016 -5.621 4.768 1.00 22.13 C ATOM 3121 C GLU B 84 8.941 -6.686 4.295 1.00 0.24 C ATOM 3122 O GLU B 84 8.538 -7.585 3.556 1.00 13.42 O ATOM 3123 CB GLU B 84 6.965 -6.248 5.715 1.00 74.32 C ATOM 3124 CG GLU B 84 6.075 -5.280 6.507 1.00 41.32 C ATOM 3125 CD GLU B 84 5.161 -4.414 5.672 1.00 4.14 C ATOM 3126 OE1 GLU B 84 4.049 -4.841 5.373 1.00 71.25 O ATOM 3127 OE2 GLU B 84 5.531 -3.278 5.362 1.00 65.22 O ATOM 0 H GLU B 84 6.683 -5.497 3.184 1.00 32.33 H new ATOM 0 HA GLU B 84 8.523 -4.851 5.350 1.00 22.13 H new ATOM 0 HB2 GLU B 84 6.318 -6.895 5.122 1.00 74.32 H new ATOM 0 HB3 GLU B 84 7.488 -6.886 6.427 1.00 74.32 H new ATOM 0 HG2 GLU B 84 5.466 -5.858 7.202 1.00 41.32 H new ATOM 0 HG3 GLU B 84 6.715 -4.632 7.107 1.00 41.32 H new ATOM 3134 N PHE B 85 10.163 -6.592 4.659 1.00 63.24 N ATOM 3135 CA PHE B 85 11.102 -7.598 4.301 1.00 14.40 C ATOM 3136 C PHE B 85 11.095 -8.655 5.363 1.00 45.14 C ATOM 3137 O PHE B 85 10.742 -8.385 6.487 1.00 54.01 O ATOM 3138 CB PHE B 85 12.502 -7.022 4.115 1.00 12.31 C ATOM 3139 CG PHE B 85 12.644 -6.109 2.927 1.00 61.12 C ATOM 3140 CD1 PHE B 85 12.286 -4.777 3.001 1.00 71.34 C ATOM 3141 CD2 PHE B 85 13.149 -6.594 1.731 1.00 14.44 C ATOM 3142 CE1 PHE B 85 12.426 -3.949 1.914 1.00 4.43 C ATOM 3143 CE2 PHE B 85 13.293 -5.767 0.641 1.00 43.03 C ATOM 3144 CZ PHE B 85 12.932 -4.442 0.732 1.00 35.32 C ATOM 0 H PHE B 85 10.545 -5.823 5.210 1.00 63.24 H new ATOM 0 HA PHE B 85 10.813 -8.032 3.344 1.00 14.40 H new ATOM 0 HB2 PHE B 85 12.779 -6.473 5.015 1.00 12.31 H new ATOM 0 HB3 PHE B 85 13.210 -7.845 4.013 1.00 12.31 H new ATOM 0 HD1 PHE B 85 11.891 -4.382 3.925 1.00 71.34 H new ATOM 0 HD2 PHE B 85 13.433 -7.633 1.654 1.00 14.44 H new ATOM 0 HE1 PHE B 85 12.139 -2.910 1.986 1.00 4.43 H new ATOM 0 HE2 PHE B 85 13.689 -6.157 -0.285 1.00 43.03 H new ATOM 0 HZ PHE B 85 13.045 -3.790 -0.122 1.00 35.32 H new ATOM 3154 N ALA B 86 11.431 -9.855 5.004 1.00 25.14 N ATOM 3155 CA ALA B 86 11.493 -10.928 5.965 1.00 43.54 C ATOM 3156 C ALA B 86 12.640 -10.706 6.923 1.00 12.35 C ATOM 3157 O ALA B 86 12.622 -11.197 8.038 1.00 33.44 O ATOM 3158 CB ALA B 86 11.630 -12.267 5.266 1.00 71.43 C ATOM 0 H ALA B 86 11.669 -10.124 4.049 1.00 25.14 H new ATOM 0 HA ALA B 86 10.563 -10.938 6.534 1.00 43.54 H new ATOM 0 HB1 ALA B 86 11.675 -13.063 6.010 1.00 71.43 H new ATOM 0 HB2 ALA B 86 10.771 -12.427 4.615 1.00 71.43 H new ATOM 0 HB3 ALA B 86 12.543 -12.275 4.671 1.00 71.43 H new ATOM 3164 N GLU B 87 13.628 -9.952 6.476 1.00 21.34 N ATOM 3165 CA GLU B 87 14.812 -9.673 7.271 1.00 73.11 C ATOM 3166 C GLU B 87 14.977 -8.161 7.486 1.00 55.42 C ATOM 3167 O GLU B 87 14.632 -7.369 6.615 1.00 20.35 O ATOM 3168 CB GLU B 87 16.014 -10.208 6.511 1.00 2.02 C ATOM 3169 CG GLU B 87 15.866 -11.656 6.068 1.00 4.21 C ATOM 3170 CD GLU B 87 16.970 -12.090 5.151 1.00 54.22 C ATOM 3171 OE1 GLU B 87 18.043 -12.488 5.647 1.00 32.40 O ATOM 3172 OE2 GLU B 87 16.790 -12.045 3.907 1.00 65.11 O ATOM 0 H GLU B 87 13.633 -9.516 5.554 1.00 21.34 H new ATOM 0 HA GLU B 87 14.722 -10.147 8.248 1.00 73.11 H new ATOM 0 HB2 GLU B 87 16.184 -9.585 5.633 1.00 2.02 H new ATOM 0 HB3 GLU B 87 16.899 -10.119 7.141 1.00 2.02 H new ATOM 0 HG2 GLU B 87 15.852 -12.302 6.946 1.00 4.21 H new ATOM 0 HG3 GLU B 87 14.908 -11.783 5.564 1.00 4.21 H new ATOM 3179 N ARG B 88 15.520 -7.766 8.646 1.00 52.22 N ATOM 3180 CA ARG B 88 15.773 -6.339 8.939 1.00 24.04 C ATOM 3181 C ARG B 88 16.944 -5.866 8.108 1.00 73.43 C ATOM 3182 O ARG B 88 16.989 -4.727 7.670 1.00 3.12 O ATOM 3183 CB ARG B 88 16.126 -6.116 10.418 1.00 51.35 C ATOM 3184 CG ARG B 88 15.215 -5.189 11.203 1.00 23.52 C ATOM 3185 CD ARG B 88 14.933 -3.830 10.541 1.00 53.53 C ATOM 3186 NE ARG B 88 16.018 -2.841 10.631 1.00 34.25 N ATOM 3187 CZ ARG B 88 15.805 -1.498 10.590 1.00 42.31 C ATOM 3188 NH1 ARG B 88 14.554 -1.016 10.501 1.00 43.53 N ATOM 3189 NH2 ARG B 88 16.829 -0.648 10.659 1.00 12.03 N ATOM 0 H ARG B 88 15.792 -8.404 9.394 1.00 52.22 H new ATOM 0 HA ARG B 88 14.864 -5.785 8.705 1.00 24.04 H new ATOM 0 HB2 ARG B 88 16.136 -7.086 10.916 1.00 51.35 H new ATOM 0 HB3 ARG B 88 17.141 -5.721 10.470 1.00 51.35 H new ATOM 0 HG2 ARG B 88 14.265 -5.697 11.371 1.00 23.52 H new ATOM 0 HG3 ARG B 88 15.660 -5.012 12.182 1.00 23.52 H new ATOM 0 HD2 ARG B 88 14.706 -3.999 9.488 1.00 53.53 H new ATOM 0 HD3 ARG B 88 14.039 -3.404 10.995 1.00 53.53 H new ATOM 0 HE ARG B 88 16.976 -3.178 10.729 1.00 34.25 H new ATOM 0 HH11 ARG B 88 13.762 -1.657 10.464 1.00 43.53 H new ATOM 0 HH12 ARG B 88 14.397 -0.009 10.470 1.00 43.53 H new ATOM 0 HH21 ARG B 88 17.782 -1.003 10.743 1.00 12.03 H new ATOM 0 HH22 ARG B 88 16.660 0.357 10.628 1.00 12.03 H new ATOM 3203 N ASN B 89 17.883 -6.767 7.897 1.00 72.25 N ATOM 3204 CA ASN B 89 19.085 -6.493 7.107 1.00 11.24 C ATOM 3205 C ASN B 89 18.710 -6.087 5.694 1.00 24.52 C ATOM 3206 O ASN B 89 19.332 -5.216 5.096 1.00 72.01 O ATOM 3207 CB ASN B 89 19.961 -7.739 7.063 1.00 42.14 C ATOM 3208 CG ASN B 89 21.253 -7.559 6.273 1.00 51.43 C ATOM 3209 OD1 ASN B 89 21.827 -6.482 6.231 1.00 74.43 O ATOM 3210 ND2 ASN B 89 21.701 -8.611 5.632 1.00 72.15 N ATOM 0 H ASN B 89 17.841 -7.717 8.267 1.00 72.25 H new ATOM 0 HA ASN B 89 19.633 -5.674 7.574 1.00 11.24 H new ATOM 0 HB2 ASN B 89 20.208 -8.033 8.083 1.00 42.14 H new ATOM 0 HB3 ASN B 89 19.390 -8.557 6.625 1.00 42.14 H new ATOM 0 HD21 ASN B 89 22.554 -8.545 5.077 1.00 72.15 H new ATOM 0 HD22 ASN B 89 21.197 -9.496 5.689 1.00 72.15 H new ATOM 3217 N SER B 90 17.654 -6.684 5.185 1.00 55.23 N ATOM 3218 CA SER B 90 17.203 -6.425 3.852 1.00 71.54 C ATOM 3219 C SER B 90 16.717 -4.989 3.722 1.00 14.32 C ATOM 3220 O SER B 90 16.915 -4.347 2.698 1.00 53.00 O ATOM 3221 CB SER B 90 16.083 -7.387 3.502 1.00 14.31 C ATOM 3222 OG SER B 90 16.494 -8.729 3.667 1.00 71.21 O ATOM 0 H SER B 90 17.088 -7.364 5.693 1.00 55.23 H new ATOM 0 HA SER B 90 18.035 -6.569 3.162 1.00 71.54 H new ATOM 0 HB2 SER B 90 15.218 -7.188 4.135 1.00 14.31 H new ATOM 0 HB3 SER B 90 15.768 -7.224 2.471 1.00 14.31 H new ATOM 0 HG SER B 90 17.257 -8.912 3.080 1.00 71.21 H new ATOM 3228 N VAL B 91 16.085 -4.482 4.782 1.00 15.43 N ATOM 3229 CA VAL B 91 15.558 -3.139 4.750 1.00 12.22 C ATOM 3230 C VAL B 91 16.708 -2.163 4.731 1.00 73.52 C ATOM 3231 O VAL B 91 16.655 -1.146 4.049 1.00 22.04 O ATOM 3232 CB VAL B 91 14.572 -2.803 5.925 1.00 71.22 C ATOM 3233 CG1 VAL B 91 13.702 -3.972 6.276 1.00 73.41 C ATOM 3234 CG2 VAL B 91 15.216 -2.152 7.156 1.00 4.21 C ATOM 0 H VAL B 91 15.933 -4.983 5.658 1.00 15.43 H new ATOM 0 HA VAL B 91 14.960 -3.056 3.843 1.00 12.22 H new ATOM 0 HB VAL B 91 13.928 -2.018 5.528 1.00 71.22 H new ATOM 0 HG11 VAL B 91 13.035 -3.697 7.093 1.00 73.41 H new ATOM 0 HG12 VAL B 91 13.111 -4.260 5.407 1.00 73.41 H new ATOM 0 HG13 VAL B 91 14.326 -4.811 6.584 1.00 73.41 H new ATOM 0 HG21 VAL B 91 14.451 -1.961 7.908 1.00 4.21 H new ATOM 0 HG22 VAL B 91 15.971 -2.821 7.568 1.00 4.21 H new ATOM 0 HG23 VAL B 91 15.684 -1.211 6.867 1.00 4.21 H new ATOM 3244 N ASP B 92 17.777 -2.494 5.476 1.00 10.13 N ATOM 3245 CA ASP B 92 18.932 -1.626 5.577 1.00 65.33 C ATOM 3246 C ASP B 92 19.647 -1.588 4.228 1.00 63.22 C ATOM 3247 O ASP B 92 20.226 -0.593 3.841 1.00 2.41 O ATOM 3248 CB ASP B 92 19.875 -2.129 6.671 1.00 15.35 C ATOM 3249 CG ASP B 92 20.822 -1.036 7.165 1.00 21.31 C ATOM 3250 OD1 ASP B 92 21.919 -0.858 6.601 1.00 0.51 O ATOM 3251 OD2 ASP B 92 20.452 -0.323 8.147 1.00 22.34 O ATOM 0 H ASP B 92 17.852 -3.359 6.012 1.00 10.13 H new ATOM 0 HA ASP B 92 18.612 -0.618 5.842 1.00 65.33 H new ATOM 0 HB2 ASP B 92 19.288 -2.505 7.509 1.00 15.35 H new ATOM 0 HB3 ASP B 92 20.458 -2.967 6.289 1.00 15.35 H new ATOM 3256 N ALA B 93 19.567 -2.682 3.507 1.00 3.31 N ATOM 3257 CA ALA B 93 20.123 -2.759 2.172 1.00 3.20 C ATOM 3258 C ALA B 93 19.254 -1.953 1.198 1.00 42.23 C ATOM 3259 O ALA B 93 19.746 -1.370 0.234 1.00 20.24 O ATOM 3260 CB ALA B 93 20.223 -4.213 1.725 1.00 73.21 C ATOM 0 H ALA B 93 19.118 -3.541 3.825 1.00 3.31 H new ATOM 0 HA ALA B 93 21.126 -2.333 2.179 1.00 3.20 H new ATOM 0 HB1 ALA B 93 20.642 -4.257 0.720 1.00 73.21 H new ATOM 0 HB2 ALA B 93 20.868 -4.761 2.412 1.00 73.21 H new ATOM 0 HB3 ALA B 93 19.230 -4.662 1.724 1.00 73.21 H new ATOM 3266 N ALA B 94 17.961 -1.901 1.486 1.00 61.12 N ATOM 3267 CA ALA B 94 17.000 -1.202 0.644 1.00 73.51 C ATOM 3268 C ALA B 94 17.103 0.312 0.816 1.00 54.34 C ATOM 3269 O ALA B 94 16.919 1.057 -0.138 1.00 55.15 O ATOM 3270 CB ALA B 94 15.584 -1.680 0.930 1.00 43.12 C ATOM 0 H ALA B 94 17.549 -2.341 2.309 1.00 61.12 H new ATOM 0 HA ALA B 94 17.240 -1.435 -0.393 1.00 73.51 H new ATOM 0 HB1 ALA B 94 14.883 -1.144 0.290 1.00 43.12 H new ATOM 0 HB2 ALA B 94 15.514 -2.749 0.730 1.00 43.12 H new ATOM 0 HB3 ALA B 94 15.340 -1.489 1.975 1.00 43.12 H new ATOM 3276 N VAL B 95 17.392 0.759 2.050 1.00 40.00 N ATOM 3277 CA VAL B 95 17.565 2.206 2.362 1.00 55.14 C ATOM 3278 C VAL B 95 18.604 2.880 1.465 1.00 5.21 C ATOM 3279 O VAL B 95 18.611 4.095 1.322 1.00 70.31 O ATOM 3280 CB VAL B 95 17.860 2.527 3.857 1.00 32.12 C ATOM 3281 CG1 VAL B 95 16.849 1.880 4.762 1.00 3.25 C ATOM 3282 CG2 VAL B 95 19.279 2.188 4.271 1.00 31.02 C ATOM 0 H VAL B 95 17.513 0.145 2.856 1.00 40.00 H new ATOM 0 HA VAL B 95 16.583 2.629 2.148 1.00 55.14 H new ATOM 0 HB VAL B 95 17.767 3.608 3.964 1.00 32.12 H new ATOM 0 HG11 VAL B 95 17.081 2.122 5.799 1.00 3.25 H new ATOM 0 HG12 VAL B 95 15.853 2.249 4.518 1.00 3.25 H new ATOM 0 HG13 VAL B 95 16.879 0.799 4.627 1.00 3.25 H new ATOM 0 HG21 VAL B 95 19.420 2.435 5.323 1.00 31.02 H new ATOM 0 HG22 VAL B 95 19.457 1.123 4.121 1.00 31.02 H new ATOM 0 HG23 VAL B 95 19.981 2.762 3.666 1.00 31.02 H new ATOM 3292 N ALA B 96 19.489 2.083 0.878 1.00 41.55 N ATOM 3293 CA ALA B 96 20.491 2.589 -0.047 1.00 35.55 C ATOM 3294 C ALA B 96 19.828 3.126 -1.336 1.00 43.41 C ATOM 3295 O ALA B 96 20.452 3.819 -2.129 1.00 35.32 O ATOM 3296 CB ALA B 96 21.499 1.505 -0.371 1.00 34.42 C ATOM 0 H ALA B 96 19.531 1.075 1.029 1.00 41.55 H new ATOM 0 HA ALA B 96 21.015 3.418 0.430 1.00 35.55 H new ATOM 0 HB1 ALA B 96 22.244 1.896 -1.064 1.00 34.42 H new ATOM 0 HB2 ALA B 96 21.992 1.180 0.546 1.00 34.42 H new ATOM 0 HB3 ALA B 96 20.988 0.658 -0.828 1.00 34.42 H new ATOM 3302 N MET B 97 18.556 2.792 -1.526 1.00 34.10 N ATOM 3303 CA MET B 97 17.788 3.259 -2.657 1.00 15.13 C ATOM 3304 C MET B 97 16.959 4.476 -2.276 1.00 24.41 C ATOM 3305 O MET B 97 16.053 4.865 -3.009 1.00 44.03 O ATOM 3306 CB MET B 97 16.876 2.164 -3.198 1.00 41.13 C ATOM 3307 CG MET B 97 17.604 0.935 -3.691 1.00 13.44 C ATOM 3308 SD MET B 97 16.491 -0.283 -4.430 1.00 43.32 S ATOM 3309 CE MET B 97 15.385 -0.648 -3.063 1.00 41.32 C ATOM 0 H MET B 97 18.033 2.187 -0.893 1.00 34.10 H new ATOM 0 HA MET B 97 18.494 3.538 -3.440 1.00 15.13 H new ATOM 0 HB2 MET B 97 16.178 1.869 -2.414 1.00 41.13 H new ATOM 0 HB3 MET B 97 16.283 2.573 -4.016 1.00 41.13 H new ATOM 0 HG2 MET B 97 18.352 1.231 -4.426 1.00 13.44 H new ATOM 0 HG3 MET B 97 18.138 0.476 -2.859 1.00 13.44 H new ATOM 0 HE1 MET B 97 14.987 -1.656 -3.176 1.00 41.32 H new ATOM 0 HE2 MET B 97 15.932 -0.577 -2.123 1.00 41.32 H new ATOM 0 HE3 MET B 97 14.563 0.068 -3.059 1.00 41.32 H new ATOM 3319 N ASP B 98 17.277 5.046 -1.110 1.00 52.31 N ATOM 3320 CA ASP B 98 16.673 6.297 -0.602 1.00 54.53 C ATOM 3321 C ASP B 98 16.364 7.300 -1.703 1.00 33.30 C ATOM 3322 O ASP B 98 15.211 7.706 -1.839 1.00 15.50 O ATOM 3323 CB ASP B 98 17.592 6.898 0.453 1.00 62.43 C ATOM 3324 CG ASP B 98 17.239 8.303 0.867 1.00 63.41 C ATOM 3325 OD1 ASP B 98 16.329 8.473 1.681 1.00 50.21 O ATOM 3326 OD2 ASP B 98 17.904 9.263 0.397 1.00 12.53 O ATOM 0 H ASP B 98 17.972 4.650 -0.477 1.00 52.31 H new ATOM 0 HA ASP B 98 15.710 6.049 -0.156 1.00 54.53 H new ATOM 0 HB2 ASP B 98 17.577 6.259 1.336 1.00 62.43 H new ATOM 0 HB3 ASP B 98 18.613 6.891 0.072 1.00 62.43 H new ATOM 3331 N GLU B 99 17.344 7.723 -2.471 1.00 12.25 N ATOM 3332 CA GLU B 99 17.020 8.495 -3.628 1.00 60.45 C ATOM 3333 C GLU B 99 17.346 7.689 -4.871 1.00 15.31 C ATOM 3334 O GLU B 99 18.501 7.567 -5.283 1.00 63.04 O ATOM 3335 CB GLU B 99 17.688 9.856 -3.644 1.00 23.53 C ATOM 3336 CG GLU B 99 17.191 10.721 -4.782 1.00 3.52 C ATOM 3337 CD GLU B 99 17.773 12.092 -4.780 1.00 24.05 C ATOM 3338 OE1 GLU B 99 17.333 12.928 -3.976 1.00 31.22 O ATOM 3339 OE2 GLU B 99 18.656 12.370 -5.605 1.00 23.44 O ATOM 0 H GLU B 99 18.337 7.548 -2.316 1.00 12.25 H new ATOM 0 HA GLU B 99 15.951 8.706 -3.604 1.00 60.45 H new ATOM 0 HB2 GLU B 99 17.502 10.362 -2.697 1.00 23.53 H new ATOM 0 HB3 GLU B 99 18.767 9.729 -3.731 1.00 23.53 H new ATOM 0 HG2 GLU B 99 17.428 10.235 -5.728 1.00 3.52 H new ATOM 0 HG3 GLU B 99 16.105 10.795 -4.725 1.00 3.52 H new ATOM 3346 N THR B 100 16.332 7.101 -5.409 1.00 74.44 N ATOM 3347 CA THR B 100 16.437 6.244 -6.563 1.00 24.30 C ATOM 3348 C THR B 100 15.267 6.501 -7.511 1.00 35.42 C ATOM 3349 O THR B 100 14.187 6.904 -7.075 1.00 42.22 O ATOM 3350 CB THR B 100 16.519 4.763 -6.088 1.00 30.51 C ATOM 3351 OG1 THR B 100 17.714 4.615 -5.319 1.00 63.13 O ATOM 3352 CG2 THR B 100 16.546 3.750 -7.219 1.00 73.22 C ATOM 0 H THR B 100 15.380 7.199 -5.057 1.00 74.44 H new ATOM 0 HA THR B 100 17.346 6.461 -7.124 1.00 24.30 H new ATOM 0 HB THR B 100 15.616 4.560 -5.512 1.00 30.51 H new ATOM 0 HG1 THR B 100 18.217 3.838 -5.642 1.00 63.13 H new ATOM 0 HG21 THR B 100 16.604 2.743 -6.805 1.00 73.22 H new ATOM 0 HG22 THR B 100 15.638 3.846 -7.815 1.00 73.22 H new ATOM 0 HG23 THR B 100 17.416 3.933 -7.850 1.00 73.22 H new ATOM 3360 N VAL B 101 15.475 6.293 -8.789 1.00 14.31 N ATOM 3361 CA VAL B 101 14.465 6.580 -9.766 1.00 2.44 C ATOM 3362 C VAL B 101 13.777 5.288 -10.214 1.00 62.02 C ATOM 3363 O VAL B 101 14.420 4.341 -10.667 1.00 23.00 O ATOM 3364 CB VAL B 101 15.047 7.384 -10.983 1.00 74.32 C ATOM 3365 CG1 VAL B 101 16.185 6.640 -11.667 1.00 34.42 C ATOM 3366 CG2 VAL B 101 13.960 7.739 -11.985 1.00 14.11 C ATOM 0 H VAL B 101 16.344 5.923 -9.174 1.00 14.31 H new ATOM 0 HA VAL B 101 13.714 7.219 -9.302 1.00 2.44 H new ATOM 0 HB VAL B 101 15.455 8.311 -10.580 1.00 74.32 H new ATOM 0 HG11 VAL B 101 16.557 7.233 -12.503 1.00 34.42 H new ATOM 0 HG12 VAL B 101 16.992 6.473 -10.953 1.00 34.42 H new ATOM 0 HG13 VAL B 101 15.823 5.680 -12.036 1.00 34.42 H new ATOM 0 HG21 VAL B 101 14.397 8.295 -12.814 1.00 14.11 H new ATOM 0 HG22 VAL B 101 13.501 6.825 -12.363 1.00 14.11 H new ATOM 0 HG23 VAL B 101 13.202 8.352 -11.497 1.00 14.11 H new ATOM 3376 N PHE B 102 12.486 5.241 -10.052 1.00 21.25 N ATOM 3377 CA PHE B 102 11.715 4.088 -10.411 1.00 55.31 C ATOM 3378 C PHE B 102 10.686 4.494 -11.454 1.00 21.51 C ATOM 3379 O PHE B 102 9.916 5.435 -11.240 1.00 65.42 O ATOM 3380 CB PHE B 102 11.031 3.508 -9.167 1.00 4.43 C ATOM 3381 CG PHE B 102 10.374 2.178 -9.388 1.00 74.22 C ATOM 3382 CD1 PHE B 102 9.066 2.090 -9.831 1.00 52.01 C ATOM 3383 CD2 PHE B 102 11.071 1.010 -9.145 1.00 54.34 C ATOM 3384 CE1 PHE B 102 8.473 0.863 -10.028 1.00 51.42 C ATOM 3385 CE2 PHE B 102 10.482 -0.217 -9.340 1.00 61.32 C ATOM 3386 CZ PHE B 102 9.183 -0.291 -9.782 1.00 33.03 C ATOM 0 H PHE B 102 11.936 6.007 -9.664 1.00 21.25 H new ATOM 0 HA PHE B 102 12.364 3.318 -10.828 1.00 55.31 H new ATOM 0 HB2 PHE B 102 11.771 3.407 -8.373 1.00 4.43 H new ATOM 0 HB3 PHE B 102 10.281 4.217 -8.815 1.00 4.43 H new ATOM 0 HD1 PHE B 102 8.505 2.992 -10.024 1.00 52.01 H new ATOM 0 HD2 PHE B 102 12.092 1.062 -8.797 1.00 54.34 H new ATOM 0 HE1 PHE B 102 7.452 0.806 -10.375 1.00 51.42 H new ATOM 0 HE2 PHE B 102 11.040 -1.121 -9.146 1.00 61.32 H new ATOM 0 HZ PHE B 102 8.719 -1.254 -9.936 1.00 33.03 H new ATOM 3396 N ARG B 103 10.707 3.796 -12.585 1.00 20.13 N ATOM 3397 CA ARG B 103 9.829 4.026 -13.756 1.00 71.03 C ATOM 3398 C ARG B 103 9.774 5.536 -14.161 1.00 30.21 C ATOM 3399 O ARG B 103 8.788 6.025 -14.714 1.00 20.10 O ATOM 3400 CB ARG B 103 8.420 3.469 -13.462 1.00 70.32 C ATOM 3401 CG ARG B 103 7.585 3.280 -14.717 1.00 51.43 C ATOM 3402 CD ARG B 103 6.199 2.758 -14.419 1.00 64.41 C ATOM 3403 NE ARG B 103 5.463 2.493 -15.660 1.00 43.24 N ATOM 3404 CZ ARG B 103 4.592 3.335 -16.217 1.00 60.44 C ATOM 3405 NH1 ARG B 103 4.360 4.507 -15.654 1.00 51.03 N ATOM 3406 NH2 ARG B 103 3.971 3.004 -17.340 1.00 54.21 N ATOM 0 H ARG B 103 11.356 3.023 -12.729 1.00 20.13 H new ATOM 0 HA ARG B 103 10.249 3.495 -14.610 1.00 71.03 H new ATOM 0 HB2 ARG B 103 8.513 2.513 -12.946 1.00 70.32 H new ATOM 0 HB3 ARG B 103 7.901 4.147 -12.785 1.00 70.32 H new ATOM 0 HG2 ARG B 103 7.506 4.231 -15.243 1.00 51.43 H new ATOM 0 HG3 ARG B 103 8.094 2.587 -15.387 1.00 51.43 H new ATOM 0 HD2 ARG B 103 6.269 1.843 -13.830 1.00 64.41 H new ATOM 0 HD3 ARG B 103 5.654 3.484 -13.816 1.00 64.41 H new ATOM 0 HE ARG B 103 5.629 1.603 -16.129 1.00 43.24 H new ATOM 0 HH11 ARG B 103 4.847 4.766 -14.796 1.00 51.03 H new ATOM 0 HH12 ARG B 103 3.694 5.153 -16.078 1.00 51.03 H new ATOM 0 HH21 ARG B 103 4.159 2.103 -17.780 1.00 54.21 H new ATOM 0 HH22 ARG B 103 3.305 3.650 -17.764 1.00 54.21 H new ATOM 3420 N GLY B 104 10.874 6.231 -13.930 1.00 11.12 N ATOM 3421 CA GLY B 104 10.989 7.614 -14.367 1.00 4.33 C ATOM 3422 C GLY B 104 10.754 8.643 -13.266 1.00 32.42 C ATOM 3423 O GLY B 104 10.943 9.835 -13.485 1.00 2.53 O ATOM 0 H GLY B 104 11.695 5.866 -13.447 1.00 11.12 H new ATOM 0 HA2 GLY B 104 11.983 7.769 -14.786 1.00 4.33 H new ATOM 0 HA3 GLY B 104 10.274 7.789 -15.170 1.00 4.33 H new ATOM 3427 N ARG B 105 10.352 8.205 -12.090 1.00 73.10 N ATOM 3428 CA ARG B 105 10.139 9.140 -10.987 1.00 21.34 C ATOM 3429 C ARG B 105 11.000 8.786 -9.791 1.00 20.41 C ATOM 3430 O ARG B 105 11.332 7.623 -9.582 1.00 53.41 O ATOM 3431 CB ARG B 105 8.659 9.271 -10.588 1.00 42.44 C ATOM 3432 CG ARG B 105 7.978 7.971 -10.222 1.00 71.15 C ATOM 3433 CD ARG B 105 6.605 8.217 -9.620 1.00 64.32 C ATOM 3434 NE ARG B 105 5.697 8.965 -10.491 1.00 44.42 N ATOM 3435 CZ ARG B 105 4.407 9.228 -10.199 1.00 23.33 C ATOM 3436 NH1 ARG B 105 3.871 8.795 -9.056 1.00 71.10 N ATOM 3437 NH2 ARG B 105 3.663 9.923 -11.051 1.00 31.35 N ATOM 0 H ARG B 105 10.167 7.227 -11.868 1.00 73.10 H new ATOM 0 HA ARG B 105 10.447 10.120 -11.352 1.00 21.34 H new ATOM 0 HB2 ARG B 105 8.586 9.953 -9.741 1.00 42.44 H new ATOM 0 HB3 ARG B 105 8.115 9.729 -11.414 1.00 42.44 H new ATOM 0 HG2 ARG B 105 7.881 7.346 -11.110 1.00 71.15 H new ATOM 0 HG3 ARG B 105 8.596 7.422 -9.511 1.00 71.15 H new ATOM 0 HD2 ARG B 105 6.149 7.257 -9.376 1.00 64.32 H new ATOM 0 HD3 ARG B 105 6.723 8.761 -8.683 1.00 64.32 H new ATOM 0 HE ARG B 105 6.064 9.310 -11.378 1.00 44.42 H new ATOM 0 HH11 ARG B 105 4.438 8.261 -8.397 1.00 71.10 H new ATOM 0 HH12 ARG B 105 2.895 8.998 -8.842 1.00 71.10 H new ATOM 0 HH21 ARG B 105 4.067 10.258 -11.926 1.00 31.35 H new ATOM 0 HH22 ARG B 105 2.687 10.122 -10.831 1.00 31.35 H new ATOM 3451 N THR B 106 11.357 9.772 -9.023 1.00 13.54 N ATOM 3452 CA THR B 106 12.227 9.589 -7.891 1.00 64.13 C ATOM 3453 C THR B 106 11.427 9.090 -6.683 1.00 34.34 C ATOM 3454 O THR B 106 10.489 9.751 -6.233 1.00 74.33 O ATOM 3455 CB THR B 106 12.908 10.930 -7.548 1.00 34.13 C ATOM 3456 OG1 THR B 106 13.532 11.453 -8.739 1.00 41.32 O ATOM 3457 CG2 THR B 106 13.969 10.742 -6.467 1.00 63.55 C ATOM 0 H THR B 106 11.052 10.735 -9.162 1.00 13.54 H new ATOM 0 HA THR B 106 12.985 8.846 -8.139 1.00 64.13 H new ATOM 0 HB THR B 106 12.154 11.623 -7.175 1.00 34.13 H new ATOM 0 HG1 THR B 106 13.967 12.307 -8.533 1.00 41.32 H new ATOM 0 HG21 THR B 106 14.434 11.702 -6.243 1.00 63.55 H new ATOM 0 HG22 THR B 106 13.503 10.345 -5.565 1.00 63.55 H new ATOM 0 HG23 THR B 106 14.728 10.044 -6.820 1.00 63.55 H new ATOM 3465 N ILE B 107 11.792 7.949 -6.159 1.00 31.32 N ATOM 3466 CA ILE B 107 11.093 7.408 -5.012 1.00 0.41 C ATOM 3467 C ILE B 107 11.881 7.664 -3.757 1.00 1.13 C ATOM 3468 O ILE B 107 13.036 8.113 -3.809 1.00 51.53 O ATOM 3469 CB ILE B 107 10.866 5.874 -5.130 1.00 60.25 C ATOM 3470 CG1 ILE B 107 12.223 5.137 -5.236 1.00 45.51 C ATOM 3471 CG2 ILE B 107 9.962 5.560 -6.321 1.00 13.24 C ATOM 3472 CD1 ILE B 107 12.128 3.627 -5.205 1.00 12.41 C ATOM 0 H ILE B 107 12.563 7.376 -6.502 1.00 31.32 H new ATOM 0 HA ILE B 107 10.124 7.906 -4.974 1.00 0.41 H new ATOM 0 HB ILE B 107 10.364 5.519 -4.230 1.00 60.25 H new ATOM 0 HG12 ILE B 107 12.713 5.437 -6.162 1.00 45.51 H new ATOM 0 HG13 ILE B 107 12.863 5.464 -4.417 1.00 45.51 H new ATOM 0 HG21 ILE B 107 9.813 4.483 -6.390 1.00 13.24 H new ATOM 0 HG22 ILE B 107 8.999 6.052 -6.186 1.00 13.24 H new ATOM 0 HG23 ILE B 107 10.429 5.921 -7.237 1.00 13.24 H new ATOM 0 HD11 ILE B 107 13.127 3.198 -5.285 1.00 12.41 H new ATOM 0 HD12 ILE B 107 11.671 3.310 -4.268 1.00 12.41 H new ATOM 0 HD13 ILE B 107 11.518 3.284 -6.040 1.00 12.41 H new ATOM 3484 N LYS B 108 11.260 7.390 -2.647 1.00 1.22 N ATOM 3485 CA LYS B 108 11.834 7.637 -1.360 1.00 1.01 C ATOM 3486 C LYS B 108 11.726 6.359 -0.546 1.00 72.11 C ATOM 3487 O LYS B 108 10.628 5.860 -0.346 1.00 41.54 O ATOM 3488 CB LYS B 108 11.035 8.779 -0.714 1.00 65.11 C ATOM 3489 CG LYS B 108 11.516 9.282 0.616 1.00 54.42 C ATOM 3490 CD LYS B 108 12.958 9.715 0.644 1.00 14.43 C ATOM 3491 CE LYS B 108 13.338 9.954 2.083 1.00 30.24 C ATOM 3492 NZ LYS B 108 14.713 10.402 2.246 1.00 10.43 N ATOM 0 H LYS B 108 10.326 6.982 -2.612 1.00 1.22 H new ATOM 0 HA LYS B 108 12.884 7.923 -1.420 1.00 1.01 H new ATOM 0 HB2 LYS B 108 11.023 9.619 -1.409 1.00 65.11 H new ATOM 0 HB3 LYS B 108 10.004 8.447 -0.597 1.00 65.11 H new ATOM 0 HG2 LYS B 108 10.893 10.124 0.917 1.00 54.42 H new ATOM 0 HG3 LYS B 108 11.372 8.497 1.359 1.00 54.42 H new ATOM 0 HD2 LYS B 108 13.596 8.949 0.202 1.00 14.43 H new ATOM 0 HD3 LYS B 108 13.096 10.623 0.056 1.00 14.43 H new ATOM 0 HE2 LYS B 108 12.667 10.699 2.510 1.00 30.24 H new ATOM 0 HE3 LYS B 108 13.193 9.033 2.648 1.00 30.24 H new ATOM 0 HZ1 LYS B 108 14.786 10.995 3.097 1.00 10.43 H new ATOM 0 HZ2 LYS B 108 15.338 9.576 2.345 1.00 10.43 H new ATOM 0 HZ3 LYS B 108 14.999 10.955 1.413 1.00 10.43 H new ATOM 3506 N VAL B 109 12.856 5.841 -0.091 1.00 72.31 N ATOM 3507 CA VAL B 109 12.899 4.606 0.682 1.00 41.52 C ATOM 3508 C VAL B 109 13.393 4.957 2.066 1.00 42.34 C ATOM 3509 O VAL B 109 14.535 5.385 2.233 1.00 21.23 O ATOM 3510 CB VAL B 109 13.854 3.543 0.052 1.00 53.33 C ATOM 3511 CG1 VAL B 109 13.906 2.281 0.893 1.00 53.11 C ATOM 3512 CG2 VAL B 109 13.448 3.217 -1.376 1.00 43.54 C ATOM 0 H VAL B 109 13.771 6.264 -0.246 1.00 72.31 H new ATOM 0 HA VAL B 109 11.901 4.168 0.701 1.00 41.52 H new ATOM 0 HB VAL B 109 14.854 3.976 0.031 1.00 53.33 H new ATOM 0 HG11 VAL B 109 14.579 1.561 0.428 1.00 53.11 H new ATOM 0 HG12 VAL B 109 14.269 2.524 1.892 1.00 53.11 H new ATOM 0 HG13 VAL B 109 12.907 1.850 0.965 1.00 53.11 H new ATOM 0 HG21 VAL B 109 14.131 2.474 -1.788 1.00 43.54 H new ATOM 0 HG22 VAL B 109 12.433 2.820 -1.384 1.00 43.54 H new ATOM 0 HG23 VAL B 109 13.488 4.122 -1.981 1.00 43.54 H new ATOM 3522 N LEU B 110 12.559 4.795 3.039 1.00 71.04 N ATOM 3523 CA LEU B 110 12.853 5.216 4.380 1.00 13.20 C ATOM 3524 C LEU B 110 12.338 4.104 5.291 1.00 64.42 C ATOM 3525 O LEU B 110 11.238 3.638 5.073 1.00 13.23 O ATOM 3526 CB LEU B 110 12.046 6.529 4.593 1.00 13.44 C ATOM 3527 CG LEU B 110 12.469 7.523 5.691 1.00 12.14 C ATOM 3528 CD1 LEU B 110 11.582 8.758 5.624 1.00 1.12 C ATOM 3529 CD2 LEU B 110 12.395 6.914 7.080 1.00 3.54 C ATOM 0 H LEU B 110 11.642 4.362 2.930 1.00 71.04 H new ATOM 0 HA LEU B 110 13.910 5.393 4.580 1.00 13.20 H new ATOM 0 HB2 LEU B 110 12.051 7.070 3.647 1.00 13.44 H new ATOM 0 HB3 LEU B 110 11.013 6.246 4.793 1.00 13.44 H new ATOM 0 HG LEU B 110 13.509 7.793 5.510 1.00 12.14 H new ATOM 0 HD11 LEU B 110 11.880 9.463 6.400 1.00 1.12 H new ATOM 0 HD12 LEU B 110 11.687 9.229 4.647 1.00 1.12 H new ATOM 0 HD13 LEU B 110 10.542 8.468 5.777 1.00 1.12 H new ATOM 0 HD21 LEU B 110 12.703 7.654 7.819 1.00 3.54 H new ATOM 0 HD22 LEU B 110 11.372 6.600 7.286 1.00 3.54 H new ATOM 0 HD23 LEU B 110 13.057 6.050 7.134 1.00 3.54 H new ATOM 3541 N PRO B 111 13.133 3.604 6.267 1.00 10.22 N ATOM 3542 CA PRO B 111 12.668 2.569 7.185 1.00 74.03 C ATOM 3543 C PRO B 111 11.377 2.937 7.881 1.00 24.41 C ATOM 3544 O PRO B 111 11.200 4.052 8.395 1.00 1.11 O ATOM 3545 CB PRO B 111 13.787 2.446 8.208 1.00 72.12 C ATOM 3546 CG PRO B 111 14.992 2.866 7.472 1.00 3.13 C ATOM 3547 CD PRO B 111 14.540 3.961 6.538 1.00 72.21 C ATOM 0 HA PRO B 111 12.455 1.643 6.650 1.00 74.03 H new ATOM 0 HB2 PRO B 111 13.607 3.082 9.075 1.00 72.12 H new ATOM 0 HB3 PRO B 111 13.880 1.424 8.576 1.00 72.12 H new ATOM 0 HG2 PRO B 111 15.762 3.227 8.154 1.00 3.13 H new ATOM 0 HG3 PRO B 111 15.423 2.032 6.918 1.00 3.13 H new ATOM 0 HD2 PRO B 111 14.626 4.945 6.998 1.00 72.21 H new ATOM 0 HD3 PRO B 111 15.134 3.984 5.624 1.00 72.21 H new ATOM 3555 N LYS B 112 10.500 2.014 7.891 1.00 44.32 N ATOM 3556 CA LYS B 112 9.270 2.127 8.527 1.00 54.33 C ATOM 3557 C LYS B 112 9.316 1.215 9.700 1.00 43.13 C ATOM 3558 O LYS B 112 9.220 0.008 9.552 1.00 13.32 O ATOM 3559 CB LYS B 112 8.201 1.688 7.570 1.00 10.25 C ATOM 3560 CG LYS B 112 6.838 1.758 8.134 1.00 33.41 C ATOM 3561 CD LYS B 112 5.849 1.509 7.099 1.00 45.02 C ATOM 3562 CE LYS B 112 4.542 1.194 7.707 1.00 65.33 C ATOM 3563 NZ LYS B 112 4.517 -0.156 8.329 1.00 64.13 N ATOM 0 H LYS B 112 10.637 1.115 7.429 1.00 44.32 H new ATOM 0 HA LYS B 112 9.059 3.148 8.844 1.00 54.33 H new ATOM 0 HB2 LYS B 112 8.248 2.310 6.676 1.00 10.25 H new ATOM 0 HB3 LYS B 112 8.404 0.664 7.257 1.00 10.25 H new ATOM 0 HG2 LYS B 112 6.730 1.025 8.933 1.00 33.41 H new ATOM 0 HG3 LYS B 112 6.671 2.740 8.577 1.00 33.41 H new ATOM 0 HD2 LYS B 112 5.757 2.384 6.456 1.00 45.02 H new ATOM 0 HD3 LYS B 112 6.173 0.682 6.468 1.00 45.02 H new ATOM 0 HE2 LYS B 112 4.306 1.943 8.462 1.00 65.33 H new ATOM 0 HE3 LYS B 112 3.766 1.254 6.944 1.00 65.33 H new ATOM 0 HZ1 LYS B 112 3.585 -0.591 8.177 1.00 64.13 H new ATOM 0 HZ2 LYS B 112 5.252 -0.751 7.896 1.00 64.13 H new ATOM 0 HZ3 LYS B 112 4.697 -0.071 9.350 1.00 64.13 H new