USER MOD reduce.3.24.130724 H: found=0, std=0, add=1307, rem=0, adj=48 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 56 HIS : no HD1:sc= -0.0744 K(o=-0.61,f=-1.7) USER MOD Set 1.2: B 60 CYS SG : rot 139:sc= 0 USER MOD Set 1.3: B 97 MET CE :methyl 177:sc= -0.535 (180deg=-0.696) USER MOD Set 2.1: B 38 SER OG : rot 67:sc= 1.46 USER MOD Set 2.2: B 112 LYS NZ :NH3+ -134:sc= 0.292 (180deg=-0.215) USER MOD Set 3.1: A 74 SER OG : rot 81:sc= 1.22 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -112:sc= 0.0783 (180deg=-0.938) USER MOD Set 4.1: A 56 HIS : no HD1:sc= 0.0987 K(o=-0.19,f=-1.8) USER MOD Set 4.2: A 60 CYS SG : rot -140:sc= 0 USER MOD Set 4.3: A 97 MET CE :methyl 172:sc= -0.287 (180deg=-0.583) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.11) USER MOD Single : A 38 SER OG : rot 90:sc= 0.16 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.381 F(o=-1.9,f=-0.38) USER MOD Single : A 46 TYR OH : rot 0:sc= -0.927 USER MOD Single : A 48 SER OG : rot 100:sc= -0.597 USER MOD Single : A 49 THR OG1 : rot -91:sc= 1.4 USER MOD Single : A 51 GLN : amide:sc= -0.549 K(o=-0.55,f=-1.2) USER MOD Single : A 58 SER OG : rot 28:sc= 1.19 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -88:sc= 1.21 USER MOD Single : A 64 ASN : amide:sc= -2.85! C(o=-2.8!,f=-7.9!) 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+ -177:sc= 0.116 (180deg=-0.11) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -17:sc= 0.322 USER MOD Single : A 89 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.39) USER MOD Single : A 90 SER OG : rot 174:sc= -0.531! USER MOD Single : A 100 THR OG1 : rot -79:sc= 1.22 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.11) USER MOD Single : B 24 GLN : amide:sc= -1.07! C(o=-1.1!,f=-3!) USER MOD Single : B 27 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -141:sc= 1.02 (180deg=-1.04) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 TYR OH : rot 180:sc= 0 USER MOD Single : B 43 ASN : amide:sc= 1.01 K(o=1,f=-1.2) USER MOD Single : B 46 TYR OH : rot 30:sc= -1.09 USER MOD Single : B 48 SER OG : rot 70:sc= -0.149 USER MOD Single : B 49 THR OG1 : rot 90:sc= 0.0567 USER MOD Single : B 51 GLN : amide:sc= -1.27! C(o=-1.3!,f=-4.2!) USER MOD Single : B 58 SER OG : rot 53:sc= 1.29 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 64 ASN :FLIP amide:sc= -1.32 F(o=-2.9!,f=-1.3) 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 72 LYS NZ :NH3+ 160:sc= 0.817 (180deg=-0.304!) USER MOD Single : B 74 SER OG : rot 62:sc= 0.61 USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 78 LYS NZ :NH3+ 166:sc= 0.394 (180deg=0.0539!) USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD Single : B 82 TYR OH : rot -107:sc= 0.161 USER MOD Single : B 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 90 SER OG : rot 165:sc= -0.343! USER MOD Single : B 100 THR OG1 : rot -62:sc= 0.568 USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 165:sc= 1.18 (180deg=0.384) USER MOD ----------------------------------------------------------------- ATOM 468 N GLU A 33 -14.762 8.958 8.721 1.00 31.23 N ATOM 469 CA GLU A 33 -15.289 9.215 7.380 1.00 5.02 C ATOM 470 C GLU A 33 -14.799 8.176 6.398 1.00 13.21 C ATOM 471 O GLU A 33 -15.567 7.640 5.602 1.00 61.03 O ATOM 472 CB GLU A 33 -14.911 10.595 6.824 1.00 51.12 C ATOM 473 CG GLU A 33 -15.788 11.748 7.210 1.00 14.13 C ATOM 474 CD GLU A 33 -17.268 11.460 7.044 1.00 2.03 C ATOM 475 OE1 GLU A 33 -17.767 11.447 5.906 1.00 30.52 O ATOM 476 OE2 GLU A 33 -17.959 11.272 8.066 1.00 54.52 O ATOM 0 HA GLU A 33 -16.372 9.173 7.491 1.00 5.02 H new ATOM 0 HB2 GLU A 33 -13.894 10.822 7.143 1.00 51.12 H new ATOM 0 HB3 GLU A 33 -14.897 10.530 5.736 1.00 51.12 H new ATOM 0 HG2 GLU A 33 -15.591 12.013 8.249 1.00 14.13 H new ATOM 0 HG3 GLU A 33 -15.524 12.615 6.604 1.00 14.13 H new ATOM 483 N ILE A 34 -13.517 7.907 6.434 1.00 44.14 N ATOM 484 CA ILE A 34 -12.937 6.964 5.513 1.00 22.32 C ATOM 485 C ILE A 34 -13.338 5.515 5.801 1.00 33.35 C ATOM 486 O ILE A 34 -13.550 4.761 4.873 1.00 50.22 O ATOM 487 CB ILE A 34 -11.416 7.152 5.281 1.00 61.33 C ATOM 488 CG1 ILE A 34 -10.641 7.043 6.587 1.00 74.33 C ATOM 489 CG2 ILE A 34 -11.150 8.495 4.594 1.00 21.53 C ATOM 490 CD1 ILE A 34 -9.168 7.344 6.457 1.00 4.35 C ATOM 0 H ILE A 34 -12.858 8.327 7.089 1.00 44.14 H new ATOM 0 HA ILE A 34 -13.387 7.206 4.550 1.00 22.32 H new ATOM 0 HB ILE A 34 -11.067 6.352 4.628 1.00 61.33 H new ATOM 0 HG12 ILE A 34 -11.078 7.727 7.314 1.00 74.33 H new ATOM 0 HG13 ILE A 34 -10.761 6.035 6.985 1.00 74.33 H new ATOM 0 HG21 ILE A 34 -10.078 8.617 4.436 1.00 21.53 H new ATOM 0 HG22 ILE A 34 -11.664 8.520 3.633 1.00 21.53 H new ATOM 0 HG23 ILE A 34 -11.518 9.305 5.224 1.00 21.53 H new ATOM 0 HD11 ILE A 34 -8.689 7.244 7.431 1.00 4.35 H new ATOM 0 HD12 ILE A 34 -8.714 6.644 5.756 1.00 4.35 H new ATOM 0 HD13 ILE A 34 -9.036 8.362 6.090 1.00 4.35 H new ATOM 502 N ASP A 35 -13.488 5.138 7.096 1.00 53.43 N ATOM 503 CA ASP A 35 -13.958 3.763 7.453 1.00 34.41 C ATOM 504 C ASP A 35 -15.341 3.544 6.891 1.00 42.41 C ATOM 505 O ASP A 35 -15.664 2.503 6.351 1.00 52.43 O ATOM 506 CB ASP A 35 -14.028 3.525 8.987 1.00 55.43 C ATOM 507 CG ASP A 35 -12.688 3.439 9.688 1.00 73.03 C ATOM 508 OD1 ASP A 35 -11.857 2.594 9.304 1.00 53.45 O ATOM 509 OD2 ASP A 35 -12.456 4.204 10.629 1.00 23.05 O ATOM 0 H ASP A 35 -13.298 5.743 7.895 1.00 53.43 H new ATOM 0 HA ASP A 35 -13.232 3.067 7.031 1.00 34.41 H new ATOM 0 HB2 ASP A 35 -14.605 4.333 9.438 1.00 55.43 H new ATOM 0 HB3 ASP A 35 -14.576 2.601 9.171 1.00 55.43 H new ATOM 514 N LYS A 36 -16.130 4.563 7.013 1.00 12.24 N ATOM 515 CA LYS A 36 -17.498 4.617 6.550 1.00 53.33 C ATOM 516 C LYS A 36 -17.625 4.366 5.037 1.00 42.02 C ATOM 517 O LYS A 36 -18.666 3.915 4.566 1.00 23.11 O ATOM 518 CB LYS A 36 -18.011 6.000 6.933 1.00 61.24 C ATOM 519 CG LYS A 36 -19.230 6.513 6.269 1.00 64.34 C ATOM 520 CD LYS A 36 -19.537 7.950 6.706 1.00 72.41 C ATOM 521 CE LYS A 36 -19.552 8.107 8.225 1.00 0.35 C ATOM 522 NZ LYS A 36 -19.940 9.469 8.647 1.00 73.42 N ATOM 0 H LYS A 36 -15.831 5.430 7.460 1.00 12.24 H new ATOM 0 HA LYS A 36 -18.089 3.825 7.011 1.00 53.33 H new ATOM 0 HB2 LYS A 36 -18.195 5.999 8.007 1.00 61.24 H new ATOM 0 HB3 LYS A 36 -17.208 6.714 6.748 1.00 61.24 H new ATOM 0 HG2 LYS A 36 -19.100 6.479 5.187 1.00 64.34 H new ATOM 0 HG3 LYS A 36 -20.076 5.869 6.508 1.00 64.34 H new ATOM 0 HD2 LYS A 36 -18.792 8.623 6.281 1.00 72.41 H new ATOM 0 HD3 LYS A 36 -20.504 8.250 6.303 1.00 72.41 H new ATOM 0 HE2 LYS A 36 -20.246 7.385 8.655 1.00 0.35 H new ATOM 0 HE3 LYS A 36 -18.564 7.875 8.621 1.00 0.35 H new ATOM 0 HZ1 LYS A 36 -20.100 9.482 9.675 1.00 73.42 H new ATOM 0 HZ2 LYS A 36 -19.180 10.137 8.407 1.00 73.42 H new ATOM 0 HZ3 LYS A 36 -20.814 9.749 8.157 1.00 73.42 H new ATOM 536 N ARG A 37 -16.581 4.646 4.290 1.00 22.24 N ATOM 537 CA ARG A 37 -16.632 4.529 2.857 1.00 35.45 C ATOM 538 C ARG A 37 -15.610 3.514 2.315 1.00 11.44 C ATOM 539 O ARG A 37 -15.394 3.438 1.101 1.00 44.54 O ATOM 540 CB ARG A 37 -16.361 5.897 2.297 1.00 63.40 C ATOM 541 CG ARG A 37 -17.361 6.934 2.759 1.00 52.53 C ATOM 542 CD ARG A 37 -16.940 8.308 2.354 1.00 43.32 C ATOM 543 NE ARG A 37 -15.710 8.730 3.023 1.00 64.51 N ATOM 544 CZ ARG A 37 -15.042 9.860 2.754 1.00 24.13 C ATOM 545 NH1 ARG A 37 -15.515 10.720 1.853 1.00 21.22 N ATOM 546 NH2 ARG A 37 -13.915 10.137 3.402 1.00 0.04 N ATOM 0 H ARG A 37 -15.682 4.958 4.658 1.00 22.24 H new ATOM 0 HA ARG A 37 -17.612 4.159 2.555 1.00 35.45 H new ATOM 0 HB2 ARG A 37 -15.359 6.211 2.589 1.00 63.40 H new ATOM 0 HB3 ARG A 37 -16.375 5.847 1.208 1.00 63.40 H new ATOM 0 HG2 ARG A 37 -18.341 6.712 2.336 1.00 52.53 H new ATOM 0 HG3 ARG A 37 -17.463 6.887 3.843 1.00 52.53 H new ATOM 0 HD2 ARG A 37 -16.792 8.337 1.274 1.00 43.32 H new ATOM 0 HD3 ARG A 37 -17.738 9.014 2.586 1.00 43.32 H new ATOM 0 HE ARG A 37 -15.333 8.119 3.748 1.00 64.51 H new ATOM 0 HH11 ARG A 37 -16.388 10.519 1.366 1.00 21.22 H new ATOM 0 HH12 ARG A 37 -15.004 11.579 1.651 1.00 21.22 H new ATOM 0 HH21 ARG A 37 -13.558 9.489 4.104 1.00 0.04 H new ATOM 0 HH22 ARG A 37 -13.407 10.997 3.197 1.00 0.04 H new ATOM 560 N SER A 38 -14.999 2.756 3.198 1.00 52.35 N ATOM 561 CA SER A 38 -13.991 1.777 2.814 1.00 22.34 C ATOM 562 C SER A 38 -14.581 0.357 2.717 1.00 34.10 C ATOM 563 O SER A 38 -15.583 0.033 3.365 1.00 51.34 O ATOM 564 CB SER A 38 -12.839 1.815 3.840 1.00 24.54 C ATOM 565 OG SER A 38 -11.810 0.876 3.551 1.00 22.35 O ATOM 0 H SER A 38 -15.182 2.796 4.201 1.00 52.35 H new ATOM 0 HA SER A 38 -13.615 2.034 1.824 1.00 22.34 H new ATOM 0 HB2 SER A 38 -12.413 2.818 3.863 1.00 24.54 H new ATOM 0 HB3 SER A 38 -13.238 1.615 4.834 1.00 24.54 H new ATOM 0 HG SER A 38 -11.139 1.294 2.973 1.00 22.35 H new ATOM 571 N VAL A 39 -13.944 -0.470 1.914 1.00 31.31 N ATOM 572 CA VAL A 39 -14.302 -1.869 1.734 1.00 11.25 C ATOM 573 C VAL A 39 -13.096 -2.737 1.624 1.00 24.31 C ATOM 574 O VAL A 39 -12.013 -2.278 1.314 1.00 3.44 O ATOM 575 CB VAL A 39 -15.248 -2.169 0.523 1.00 2.14 C ATOM 576 CG1 VAL A 39 -16.681 -2.028 0.912 1.00 3.14 C ATOM 577 CG2 VAL A 39 -14.952 -1.256 -0.651 1.00 12.15 C ATOM 0 H VAL A 39 -13.142 -0.184 1.352 1.00 31.31 H new ATOM 0 HA VAL A 39 -14.865 -2.103 2.637 1.00 11.25 H new ATOM 0 HB VAL A 39 -15.061 -3.200 0.221 1.00 2.14 H new ATOM 0 HG11 VAL A 39 -17.314 -2.242 0.051 1.00 3.14 H new ATOM 0 HG12 VAL A 39 -16.911 -2.729 1.715 1.00 3.14 H new ATOM 0 HG13 VAL A 39 -16.867 -1.010 1.255 1.00 3.14 H new ATOM 0 HG21 VAL A 39 -15.627 -1.491 -1.474 1.00 12.15 H new ATOM 0 HG22 VAL A 39 -15.095 -0.218 -0.350 1.00 12.15 H new ATOM 0 HG23 VAL A 39 -13.921 -1.401 -0.974 1.00 12.15 H new ATOM 587 N TYR A 40 -13.317 -3.990 1.830 1.00 12.23 N ATOM 588 CA TYR A 40 -12.328 -5.001 1.746 1.00 62.33 C ATOM 589 C TYR A 40 -12.657 -5.857 0.576 1.00 35.33 C ATOM 590 O TYR A 40 -13.782 -6.326 0.455 1.00 2.51 O ATOM 591 CB TYR A 40 -12.301 -5.860 3.028 1.00 42.11 C ATOM 592 CG TYR A 40 -11.610 -7.216 2.853 1.00 54.01 C ATOM 593 CD1 TYR A 40 -10.240 -7.339 2.810 1.00 53.22 C ATOM 594 CD2 TYR A 40 -12.368 -8.369 2.705 1.00 21.25 C ATOM 595 CE1 TYR A 40 -9.646 -8.569 2.632 1.00 72.44 C ATOM 596 CE2 TYR A 40 -11.798 -9.593 2.523 1.00 25.51 C ATOM 597 CZ TYR A 40 -10.435 -9.699 2.488 1.00 71.40 C ATOM 598 OH TYR A 40 -9.856 -10.937 2.289 1.00 21.24 O ATOM 0 H TYR A 40 -14.239 -4.352 2.073 1.00 12.23 H new ATOM 0 HA TYR A 40 -11.345 -4.544 1.634 1.00 62.33 H new ATOM 0 HB2 TYR A 40 -11.793 -5.304 3.816 1.00 42.11 H new ATOM 0 HB3 TYR A 40 -13.325 -6.026 3.364 1.00 42.11 H new ATOM 0 HD1 TYR A 40 -9.622 -6.460 2.917 1.00 53.22 H new ATOM 0 HD2 TYR A 40 -13.445 -8.294 2.735 1.00 21.25 H new ATOM 0 HE1 TYR A 40 -8.570 -8.652 2.605 1.00 72.44 H new ATOM 0 HE2 TYR A 40 -12.416 -10.471 2.408 1.00 25.51 H new ATOM 0 HH TYR A 40 -10.557 -11.617 2.210 1.00 21.24 H new ATOM 608 N VAL A 41 -11.711 -6.017 -0.279 1.00 13.24 N ATOM 609 CA VAL A 41 -11.804 -6.851 -1.431 1.00 32.15 C ATOM 610 C VAL A 41 -10.834 -7.995 -1.231 1.00 11.35 C ATOM 611 O VAL A 41 -9.618 -7.792 -1.229 1.00 65.13 O ATOM 612 CB VAL A 41 -11.392 -6.059 -2.682 1.00 63.52 C ATOM 613 CG1 VAL A 41 -11.502 -6.912 -3.942 1.00 41.45 C ATOM 614 CG2 VAL A 41 -12.227 -4.802 -2.806 1.00 61.44 C ATOM 0 H VAL A 41 -10.808 -5.550 -0.194 1.00 13.24 H new ATOM 0 HA VAL A 41 -12.824 -7.212 -1.563 1.00 32.15 H new ATOM 0 HB VAL A 41 -10.346 -5.772 -2.572 1.00 63.52 H new ATOM 0 HG11 VAL A 41 -11.203 -6.322 -4.808 1.00 41.45 H new ATOM 0 HG12 VAL A 41 -10.849 -7.780 -3.852 1.00 41.45 H new ATOM 0 HG13 VAL A 41 -12.532 -7.245 -4.067 1.00 41.45 H new ATOM 0 HG21 VAL A 41 -11.925 -4.251 -3.696 1.00 61.44 H new ATOM 0 HG22 VAL A 41 -13.280 -5.071 -2.886 1.00 61.44 H new ATOM 0 HG23 VAL A 41 -12.078 -4.178 -1.925 1.00 61.44 H new ATOM 624 N GLY A 42 -11.338 -9.166 -1.029 1.00 52.04 N ATOM 625 CA GLY A 42 -10.473 -10.263 -0.739 1.00 14.55 C ATOM 626 C GLY A 42 -10.346 -11.249 -1.843 1.00 21.51 C ATOM 627 O GLY A 42 -11.165 -11.266 -2.771 1.00 22.32 O ATOM 0 H GLY A 42 -12.333 -9.389 -1.058 1.00 52.04 H new ATOM 0 HA2 GLY A 42 -9.483 -9.876 -0.497 1.00 14.55 H new ATOM 0 HA3 GLY A 42 -10.841 -10.776 0.150 1.00 14.55 H new ATOM 631 N ASN A 43 -9.327 -12.103 -1.697 1.00 23.12 N ATOM 632 CA ASN A 43 -8.982 -13.178 -2.640 1.00 54.42 C ATOM 633 C ASN A 43 -8.541 -12.626 -4.023 1.00 1.10 C ATOM 634 O ASN A 43 -8.612 -13.296 -5.031 1.00 72.14 O ATOM 635 CB ASN A 43 -10.169 -14.179 -2.722 1.00 50.14 C ATOM 636 CG ASN A 43 -9.878 -15.454 -3.493 1.00 14.41 C ATOM 637 OD1 ASN A 43 -10.275 -15.505 -4.732 1.00 71.22 O flip ATOM 638 ND2 ASN A 43 -9.346 -16.413 -2.942 1.00 25.31 N flip ATOM 0 H ASN A 43 -8.698 -12.066 -0.895 1.00 23.12 H new ATOM 0 HA ASN A 43 -8.110 -13.718 -2.271 1.00 54.42 H new ATOM 0 HB2 ASN A 43 -10.471 -14.445 -1.709 1.00 50.14 H new ATOM 0 HB3 ASN A 43 -11.018 -13.677 -3.186 1.00 50.14 H new ATOM 0 HD21 ASN A 43 -9.046 -16.341 -1.970 1.00 25.31 H new ATOM 0 HD22 ASN A 43 -9.204 -17.282 -3.456 1.00 25.31 H new ATOM 645 N VAL A 44 -8.057 -11.411 -4.038 1.00 71.41 N ATOM 646 CA VAL A 44 -7.539 -10.827 -5.260 1.00 1.34 C ATOM 647 C VAL A 44 -5.994 -10.772 -5.220 1.00 62.33 C ATOM 648 O VAL A 44 -5.388 -9.845 -4.688 1.00 43.23 O ATOM 649 CB VAL A 44 -8.196 -9.449 -5.600 1.00 31.43 C ATOM 650 CG1 VAL A 44 -7.985 -8.410 -4.503 1.00 54.22 C ATOM 651 CG2 VAL A 44 -7.714 -8.940 -6.937 1.00 62.34 C ATOM 0 H VAL A 44 -8.008 -10.802 -3.221 1.00 71.41 H new ATOM 0 HA VAL A 44 -7.820 -11.479 -6.087 1.00 1.34 H new ATOM 0 HB VAL A 44 -9.271 -9.617 -5.662 1.00 31.43 H new ATOM 0 HG11 VAL A 44 -8.462 -7.473 -4.792 1.00 54.22 H new ATOM 0 HG12 VAL A 44 -8.425 -8.769 -3.572 1.00 54.22 H new ATOM 0 HG13 VAL A 44 -6.917 -8.244 -4.359 1.00 54.22 H new ATOM 0 HG21 VAL A 44 -8.184 -7.981 -7.152 1.00 62.34 H new ATOM 0 HG22 VAL A 44 -6.631 -8.815 -6.910 1.00 62.34 H new ATOM 0 HG23 VAL A 44 -7.978 -9.656 -7.715 1.00 62.34 H new ATOM 661 N ASP A 45 -5.367 -11.779 -5.798 1.00 72.14 N ATOM 662 CA ASP A 45 -3.934 -11.988 -5.656 1.00 43.40 C ATOM 663 C ASP A 45 -3.236 -11.618 -6.929 1.00 0.23 C ATOM 664 O ASP A 45 -3.742 -11.954 -7.994 1.00 73.11 O ATOM 665 CB ASP A 45 -3.657 -13.488 -5.464 1.00 30.22 C ATOM 666 CG ASP A 45 -4.516 -14.163 -4.430 1.00 72.22 C ATOM 667 OD1 ASP A 45 -5.603 -14.633 -4.785 1.00 34.45 O ATOM 668 OD2 ASP A 45 -4.103 -14.269 -3.277 1.00 62.11 O ATOM 0 H ASP A 45 -5.834 -12.476 -6.379 1.00 72.14 H new ATOM 0 HA ASP A 45 -3.587 -11.389 -4.814 1.00 43.40 H new ATOM 0 HB2 ASP A 45 -3.798 -13.994 -6.419 1.00 30.22 H new ATOM 0 HB3 ASP A 45 -2.611 -13.617 -5.187 1.00 30.22 H new ATOM 673 N TYR A 46 -2.080 -10.925 -6.820 1.00 25.21 N ATOM 674 CA TYR A 46 -1.112 -10.636 -7.924 1.00 22.24 C ATOM 675 C TYR A 46 -1.601 -10.216 -9.331 1.00 11.21 C ATOM 676 O TYR A 46 -1.255 -9.130 -9.784 1.00 53.32 O ATOM 677 CB TYR A 46 0.059 -11.644 -7.951 1.00 34.23 C ATOM 678 CG TYR A 46 1.073 -11.414 -6.835 1.00 63.50 C ATOM 679 CD1 TYR A 46 0.825 -11.814 -5.535 1.00 24.24 C ATOM 680 CD2 TYR A 46 2.280 -10.767 -7.097 1.00 74.53 C ATOM 681 CE1 TYR A 46 1.744 -11.581 -4.533 1.00 13.12 C ATOM 682 CE2 TYR A 46 3.201 -10.531 -6.099 1.00 40.53 C ATOM 683 CZ TYR A 46 2.928 -10.941 -4.822 1.00 62.22 C ATOM 684 OH TYR A 46 3.842 -10.709 -3.817 1.00 70.51 O ATOM 0 H TYR A 46 -1.776 -10.532 -5.929 1.00 25.21 H new ATOM 0 HA TYR A 46 -0.762 -9.656 -7.601 1.00 22.24 H new ATOM 0 HB2 TYR A 46 -0.338 -12.656 -7.870 1.00 34.23 H new ATOM 0 HB3 TYR A 46 0.566 -11.577 -8.914 1.00 34.23 H new ATOM 0 HD1 TYR A 46 -0.102 -12.316 -5.301 1.00 24.24 H new ATOM 0 HD2 TYR A 46 2.498 -10.444 -8.104 1.00 74.53 H new ATOM 0 HE1 TYR A 46 1.535 -11.900 -3.523 1.00 13.12 H new ATOM 0 HE2 TYR A 46 4.130 -10.027 -6.323 1.00 40.53 H new ATOM 0 HH TYR A 46 3.493 -11.059 -2.971 1.00 70.51 H new ATOM 694 N GLY A 47 -2.370 -11.054 -10.000 1.00 62.31 N ATOM 695 CA GLY A 47 -2.758 -10.810 -11.392 1.00 61.31 C ATOM 696 C GLY A 47 -3.592 -9.562 -11.618 1.00 30.34 C ATOM 697 O GLY A 47 -3.684 -9.073 -12.741 1.00 53.11 O ATOM 0 H GLY A 47 -2.744 -11.917 -9.606 1.00 62.31 H new ATOM 0 HA2 GLY A 47 -1.855 -10.739 -11.998 1.00 61.31 H new ATOM 0 HA3 GLY A 47 -3.318 -11.673 -11.754 1.00 61.31 H new ATOM 701 N SER A 48 -4.222 -9.065 -10.590 1.00 1.31 N ATOM 702 CA SER A 48 -4.996 -7.870 -10.725 1.00 15.44 C ATOM 703 C SER A 48 -4.161 -6.660 -10.309 1.00 43.12 C ATOM 704 O SER A 48 -3.472 -6.690 -9.286 1.00 61.02 O ATOM 705 CB SER A 48 -6.244 -7.999 -9.897 1.00 63.23 C ATOM 706 OG SER A 48 -6.920 -9.195 -10.270 1.00 2.42 O ATOM 0 H SER A 48 -4.213 -9.470 -9.654 1.00 1.31 H new ATOM 0 HA SER A 48 -5.288 -7.723 -11.765 1.00 15.44 H new ATOM 0 HB2 SER A 48 -5.993 -8.022 -8.837 1.00 63.23 H new ATOM 0 HB3 SER A 48 -6.891 -7.136 -10.052 1.00 63.23 H new ATOM 0 HG SER A 48 -6.723 -9.899 -9.618 1.00 2.42 H new ATOM 712 N THR A 49 -4.217 -5.620 -11.104 1.00 74.01 N ATOM 713 CA THR A 49 -3.432 -4.445 -10.853 1.00 43.54 C ATOM 714 C THR A 49 -4.293 -3.410 -10.172 1.00 1.44 C ATOM 715 O THR A 49 -5.507 -3.627 -9.994 1.00 31.14 O ATOM 716 CB THR A 49 -2.907 -3.848 -12.172 1.00 12.21 C ATOM 717 OG1 THR A 49 -4.009 -3.358 -12.960 1.00 53.22 O ATOM 718 CG2 THR A 49 -2.158 -4.905 -12.971 1.00 64.01 C ATOM 0 H THR A 49 -4.804 -5.567 -11.936 1.00 74.01 H new ATOM 0 HA THR A 49 -2.587 -4.722 -10.222 1.00 43.54 H new ATOM 0 HB THR A 49 -2.229 -3.028 -11.934 1.00 12.21 H new ATOM 0 HG1 THR A 49 -4.326 -4.068 -13.556 1.00 53.22 H new ATOM 0 HG21 THR A 49 -1.793 -4.468 -13.900 1.00 64.01 H new ATOM 0 HG22 THR A 49 -1.314 -5.272 -12.387 1.00 64.01 H new ATOM 0 HG23 THR A 49 -2.830 -5.733 -13.199 1.00 64.01 H new ATOM 726 N ALA A 50 -3.699 -2.284 -9.800 1.00 60.14 N ATOM 727 CA ALA A 50 -4.433 -1.195 -9.207 1.00 51.41 C ATOM 728 C ALA A 50 -5.505 -0.696 -10.176 1.00 4.43 C ATOM 729 O ALA A 50 -6.643 -0.482 -9.780 1.00 65.41 O ATOM 730 CB ALA A 50 -3.462 -0.078 -8.841 1.00 24.51 C ATOM 0 H ALA A 50 -2.700 -2.109 -9.904 1.00 60.14 H new ATOM 0 HA ALA A 50 -4.934 -1.536 -8.301 1.00 51.41 H new ATOM 0 HB1 ALA A 50 -4.012 0.749 -8.392 1.00 24.51 H new ATOM 0 HB2 ALA A 50 -2.726 -0.454 -8.130 1.00 24.51 H new ATOM 0 HB3 ALA A 50 -2.953 0.270 -9.740 1.00 24.51 H new ATOM 736 N GLN A 51 -5.131 -0.542 -11.459 1.00 74.35 N ATOM 737 CA GLN A 51 -6.086 -0.104 -12.498 1.00 75.53 C ATOM 738 C GLN A 51 -7.286 -1.057 -12.565 1.00 52.34 C ATOM 739 O GLN A 51 -8.423 -0.612 -12.606 1.00 1.13 O ATOM 740 CB GLN A 51 -5.463 -0.074 -13.918 1.00 31.01 C ATOM 741 CG GLN A 51 -4.215 0.790 -14.180 1.00 44.02 C ATOM 742 CD GLN A 51 -2.955 0.294 -13.494 1.00 52.34 C ATOM 743 OE1 GLN A 51 -2.259 -0.551 -14.022 1.00 21.44 O ATOM 744 NE2 GLN A 51 -2.597 0.878 -12.382 1.00 21.34 N ATOM 0 H GLN A 51 -4.185 -0.712 -11.801 1.00 74.35 H new ATOM 0 HA GLN A 51 -6.384 0.904 -12.211 1.00 75.53 H new ATOM 0 HB2 GLN A 51 -5.212 -1.100 -14.186 1.00 31.01 H new ATOM 0 HB3 GLN A 51 -6.239 0.255 -14.609 1.00 31.01 H new ATOM 0 HG2 GLN A 51 -4.037 0.833 -15.254 1.00 44.02 H new ATOM 0 HG3 GLN A 51 -4.417 1.809 -13.850 1.00 44.02 H new ATOM 0 HE21 GLN A 51 -3.200 1.584 -11.960 1.00 21.34 H new ATOM 0 HE22 GLN A 51 -1.714 0.628 -11.936 1.00 21.34 H new ATOM 753 N ASP A 52 -7.013 -2.371 -12.569 1.00 52.22 N ATOM 754 CA ASP A 52 -8.086 -3.399 -12.637 1.00 32.13 C ATOM 755 C ASP A 52 -9.073 -3.236 -11.520 1.00 3.41 C ATOM 756 O ASP A 52 -10.283 -3.320 -11.721 1.00 62.12 O ATOM 757 CB ASP A 52 -7.535 -4.837 -12.596 1.00 13.44 C ATOM 758 CG ASP A 52 -6.800 -5.251 -13.838 1.00 52.22 C ATOM 759 OD1 ASP A 52 -7.451 -5.704 -14.797 1.00 33.44 O ATOM 760 OD2 ASP A 52 -5.571 -5.142 -13.876 1.00 53.53 O ATOM 0 H ASP A 52 -6.069 -2.754 -12.527 1.00 52.22 H new ATOM 0 HA ASP A 52 -8.580 -3.242 -13.596 1.00 32.13 H new ATOM 0 HB2 ASP A 52 -6.865 -4.933 -11.742 1.00 13.44 H new ATOM 0 HB3 ASP A 52 -8.363 -5.527 -12.431 1.00 13.44 H new ATOM 765 N LEU A 53 -8.556 -2.984 -10.356 1.00 61.13 N ATOM 766 CA LEU A 53 -9.360 -2.850 -9.179 1.00 1.14 C ATOM 767 C LEU A 53 -10.121 -1.552 -9.170 1.00 51.42 C ATOM 768 O LEU A 53 -11.342 -1.539 -8.974 1.00 64.52 O ATOM 769 CB LEU A 53 -8.441 -2.907 -7.974 1.00 12.33 C ATOM 770 CG LEU A 53 -7.844 -4.263 -7.674 1.00 31.31 C ATOM 771 CD1 LEU A 53 -6.691 -4.130 -6.710 1.00 22.51 C ATOM 772 CD2 LEU A 53 -8.908 -5.155 -7.090 1.00 60.22 C ATOM 0 H LEU A 53 -7.556 -2.865 -10.195 1.00 61.13 H new ATOM 0 HA LEU A 53 -10.091 -3.658 -9.155 1.00 1.14 H new ATOM 0 HB2 LEU A 53 -7.628 -2.197 -8.125 1.00 12.33 H new ATOM 0 HB3 LEU A 53 -8.998 -2.573 -7.098 1.00 12.33 H new ATOM 0 HG LEU A 53 -7.468 -4.702 -8.598 1.00 31.31 H new ATOM 0 HD11 LEU A 53 -6.273 -5.115 -6.505 1.00 22.51 H new ATOM 0 HD12 LEU A 53 -5.922 -3.494 -7.148 1.00 22.51 H new ATOM 0 HD13 LEU A 53 -7.044 -3.685 -5.780 1.00 22.51 H new ATOM 0 HD21 LEU A 53 -8.482 -6.134 -6.872 1.00 60.22 H new ATOM 0 HD22 LEU A 53 -9.289 -4.712 -6.170 1.00 60.22 H new ATOM 0 HD23 LEU A 53 -9.723 -5.265 -7.805 1.00 60.22 H new ATOM 784 N GLU A 54 -9.421 -0.476 -9.424 1.00 55.31 N ATOM 785 CA GLU A 54 -9.979 0.850 -9.376 1.00 34.22 C ATOM 786 C GLU A 54 -11.060 1.028 -10.444 1.00 62.44 C ATOM 787 O GLU A 54 -12.155 1.428 -10.129 1.00 32.33 O ATOM 788 CB GLU A 54 -8.788 1.801 -9.557 1.00 2.42 C ATOM 789 CG GLU A 54 -8.944 3.245 -9.110 1.00 12.35 C ATOM 790 CD GLU A 54 -9.717 4.122 -10.028 1.00 51.32 C ATOM 791 OE1 GLU A 54 -9.114 4.671 -10.985 1.00 42.05 O ATOM 792 OE2 GLU A 54 -10.884 4.341 -9.802 1.00 2.14 O ATOM 0 H GLU A 54 -8.432 -0.498 -9.674 1.00 55.31 H new ATOM 0 HA GLU A 54 -10.486 1.056 -8.433 1.00 34.22 H new ATOM 0 HB2 GLU A 54 -7.939 1.377 -9.020 1.00 2.42 H new ATOM 0 HB3 GLU A 54 -8.525 1.807 -10.615 1.00 2.42 H new ATOM 0 HG2 GLU A 54 -9.429 3.254 -8.134 1.00 12.35 H new ATOM 0 HG3 GLU A 54 -7.951 3.674 -8.977 1.00 12.35 H new ATOM 799 N ALA A 55 -10.764 0.662 -11.680 1.00 3.30 N ATOM 800 CA ALA A 55 -11.752 0.750 -12.769 1.00 44.31 C ATOM 801 C ALA A 55 -13.001 -0.094 -12.474 1.00 22.51 C ATOM 802 O ALA A 55 -14.167 0.356 -12.682 1.00 22.20 O ATOM 803 CB ALA A 55 -11.135 0.321 -14.091 1.00 43.12 C ATOM 0 H ALA A 55 -9.854 0.301 -11.965 1.00 3.30 H new ATOM 0 HA ALA A 55 -12.060 1.793 -12.842 1.00 44.31 H new ATOM 0 HB1 ALA A 55 -11.882 0.394 -14.882 1.00 43.12 H new ATOM 0 HB2 ALA A 55 -10.292 0.971 -14.327 1.00 43.12 H new ATOM 0 HB3 ALA A 55 -10.788 -0.709 -14.013 1.00 43.12 H new ATOM 809 N HIS A 56 -12.780 -1.290 -11.956 1.00 73.23 N ATOM 810 CA HIS A 56 -13.884 -2.213 -11.699 1.00 24.43 C ATOM 811 C HIS A 56 -14.780 -1.647 -10.598 1.00 62.52 C ATOM 812 O HIS A 56 -15.998 -1.822 -10.615 1.00 11.02 O ATOM 813 CB HIS A 56 -13.365 -3.621 -11.341 1.00 63.22 C ATOM 814 CG HIS A 56 -14.428 -4.691 -11.284 1.00 45.13 C ATOM 815 ND1 HIS A 56 -14.689 -5.547 -12.329 1.00 34.41 N ATOM 816 CD2 HIS A 56 -15.277 -5.051 -10.296 1.00 51.20 C ATOM 817 CE1 HIS A 56 -15.649 -6.376 -11.989 1.00 4.25 C ATOM 818 NE2 HIS A 56 -16.025 -6.101 -10.762 1.00 0.54 N ATOM 0 H HIS A 56 -11.858 -1.647 -11.706 1.00 73.23 H new ATOM 0 HA HIS A 56 -14.476 -2.317 -12.608 1.00 24.43 H new ATOM 0 HB2 HIS A 56 -12.614 -3.913 -12.075 1.00 63.22 H new ATOM 0 HB3 HIS A 56 -12.865 -3.574 -10.374 1.00 63.22 H new ATOM 0 HD2 HIS A 56 -15.352 -4.596 -9.320 1.00 51.20 H new ATOM 0 HE1 HIS A 56 -16.060 -7.154 -12.615 1.00 4.25 H new ATOM 0 HE2 HIS A 56 -16.754 -6.588 -10.241 1.00 0.54 H new ATOM 827 N PHE A 57 -14.171 -0.972 -9.653 1.00 4.53 N ATOM 828 CA PHE A 57 -14.883 -0.305 -8.594 1.00 11.41 C ATOM 829 C PHE A 57 -15.419 1.064 -8.991 1.00 24.51 C ATOM 830 O PHE A 57 -16.329 1.571 -8.367 1.00 40.54 O ATOM 831 CB PHE A 57 -14.150 -0.319 -7.274 1.00 70.12 C ATOM 832 CG PHE A 57 -14.258 -1.640 -6.571 1.00 2.35 C ATOM 833 CD1 PHE A 57 -15.393 -1.931 -5.864 1.00 35.24 C ATOM 834 CD2 PHE A 57 -13.253 -2.582 -6.619 1.00 21.22 C ATOM 835 CE1 PHE A 57 -15.532 -3.133 -5.206 1.00 61.41 C ATOM 836 CE2 PHE A 57 -13.385 -3.786 -5.965 1.00 64.45 C ATOM 837 CZ PHE A 57 -14.526 -4.058 -5.260 1.00 53.52 C ATOM 0 H PHE A 57 -13.158 -0.870 -9.599 1.00 4.53 H new ATOM 0 HA PHE A 57 -15.773 -0.910 -8.421 1.00 11.41 H new ATOM 0 HB2 PHE A 57 -13.099 -0.086 -7.443 1.00 70.12 H new ATOM 0 HB3 PHE A 57 -14.551 0.465 -6.631 1.00 70.12 H new ATOM 0 HD1 PHE A 57 -16.193 -1.206 -5.821 1.00 35.24 H new ATOM 0 HD2 PHE A 57 -12.352 -2.373 -7.176 1.00 21.22 H new ATOM 0 HE1 PHE A 57 -16.433 -3.344 -4.649 1.00 61.41 H new ATOM 0 HE2 PHE A 57 -12.589 -4.515 -6.008 1.00 64.45 H new ATOM 0 HZ PHE A 57 -14.632 -5.002 -4.747 1.00 53.52 H new ATOM 847 N SER A 58 -14.832 1.654 -10.039 1.00 63.32 N ATOM 848 CA SER A 58 -15.246 2.973 -10.547 1.00 42.11 C ATOM 849 C SER A 58 -16.689 2.904 -10.997 1.00 0.14 C ATOM 850 O SER A 58 -17.440 3.885 -10.907 1.00 73.45 O ATOM 851 CB SER A 58 -14.379 3.432 -11.732 1.00 54.10 C ATOM 852 OG SER A 58 -13.025 3.603 -11.381 1.00 44.25 O ATOM 0 H SER A 58 -14.060 1.236 -10.558 1.00 63.32 H new ATOM 0 HA SER A 58 -15.124 3.693 -9.738 1.00 42.11 H new ATOM 0 HB2 SER A 58 -14.452 2.699 -12.536 1.00 54.10 H new ATOM 0 HB3 SER A 58 -14.771 4.372 -12.121 1.00 54.10 H new ATOM 0 HG SER A 58 -12.804 3.011 -10.632 1.00 44.25 H new ATOM 858 N SER A 59 -17.084 1.747 -11.495 1.00 1.22 N ATOM 859 CA SER A 59 -18.468 1.519 -11.857 1.00 52.20 C ATOM 860 C SER A 59 -19.395 1.721 -10.628 1.00 12.34 C ATOM 861 O SER A 59 -20.542 2.158 -10.758 1.00 35.43 O ATOM 862 CB SER A 59 -18.603 0.098 -12.383 1.00 52.52 C ATOM 863 OG SER A 59 -17.669 -0.128 -13.431 1.00 25.43 O ATOM 0 H SER A 59 -16.466 0.952 -11.657 1.00 1.22 H new ATOM 0 HA SER A 59 -18.766 2.233 -12.625 1.00 52.20 H new ATOM 0 HB2 SER A 59 -18.434 -0.614 -11.575 1.00 52.52 H new ATOM 0 HB3 SER A 59 -19.617 -0.068 -12.747 1.00 52.52 H new ATOM 0 HG SER A 59 -17.763 -1.046 -13.761 1.00 25.43 H new ATOM 869 N CYS A 60 -18.870 1.431 -9.450 1.00 53.44 N ATOM 870 CA CYS A 60 -19.613 1.547 -8.216 1.00 24.20 C ATOM 871 C CYS A 60 -19.330 2.871 -7.478 1.00 2.12 C ATOM 872 O CYS A 60 -19.927 3.128 -6.434 1.00 22.04 O ATOM 873 CB CYS A 60 -19.276 0.363 -7.307 1.00 15.44 C ATOM 874 SG CYS A 60 -19.571 -1.250 -8.068 1.00 73.43 S ATOM 0 H CYS A 60 -17.911 1.107 -9.327 1.00 53.44 H new ATOM 0 HA CYS A 60 -20.673 1.542 -8.469 1.00 24.20 H new ATOM 0 HB2 CYS A 60 -18.228 0.429 -7.013 1.00 15.44 H new ATOM 0 HB3 CYS A 60 -19.868 0.437 -6.395 1.00 15.44 H new ATOM 0 HG CYS A 60 -20.083 -2.058 -7.188 1.00 73.43 H new ATOM 880 N GLY A 61 -18.451 3.716 -8.018 1.00 74.05 N ATOM 881 CA GLY A 61 -18.154 4.949 -7.310 1.00 42.14 C ATOM 882 C GLY A 61 -16.960 5.733 -7.814 1.00 33.12 C ATOM 883 O GLY A 61 -16.360 5.401 -8.827 1.00 3.41 O ATOM 0 H GLY A 61 -17.957 3.577 -8.899 1.00 74.05 H new ATOM 0 HA2 GLY A 61 -19.032 5.593 -7.357 1.00 42.14 H new ATOM 0 HA3 GLY A 61 -17.990 4.711 -6.259 1.00 42.14 H new ATOM 887 N SER A 62 -16.637 6.786 -7.081 1.00 62.20 N ATOM 888 CA SER A 62 -15.543 7.686 -7.394 1.00 54.44 C ATOM 889 C SER A 62 -14.164 7.032 -7.180 1.00 21.25 C ATOM 890 O SER A 62 -13.452 6.755 -8.135 1.00 24.32 O ATOM 891 CB SER A 62 -15.702 8.945 -6.533 1.00 42.12 C ATOM 892 OG SER A 62 -15.931 8.584 -5.154 1.00 12.32 O ATOM 0 H SER A 62 -17.141 7.043 -6.232 1.00 62.20 H new ATOM 0 HA SER A 62 -15.586 7.944 -8.452 1.00 54.44 H new ATOM 0 HB2 SER A 62 -14.807 9.562 -6.611 1.00 42.12 H new ATOM 0 HB3 SER A 62 -16.535 9.544 -6.902 1.00 42.12 H new ATOM 0 HG SER A 62 -16.892 8.467 -5.002 1.00 12.32 H new ATOM 898 N ILE A 63 -13.817 6.839 -5.917 1.00 54.21 N ATOM 899 CA ILE A 63 -12.588 6.201 -5.433 1.00 54.53 C ATOM 900 C ILE A 63 -11.543 7.202 -5.004 1.00 4.43 C ATOM 901 O ILE A 63 -11.003 7.969 -5.814 1.00 11.21 O ATOM 902 CB ILE A 63 -11.992 5.062 -6.305 1.00 5.15 C ATOM 903 CG1 ILE A 63 -12.965 3.902 -6.412 1.00 42.55 C ATOM 904 CG2 ILE A 63 -10.669 4.589 -5.714 1.00 44.14 C ATOM 905 CD1 ILE A 63 -12.467 2.781 -7.278 1.00 24.35 C ATOM 0 H ILE A 63 -14.418 7.140 -5.150 1.00 54.21 H new ATOM 0 HA ILE A 63 -12.935 5.669 -4.548 1.00 54.53 H new ATOM 0 HB ILE A 63 -11.813 5.451 -7.307 1.00 5.15 H new ATOM 0 HG12 ILE A 63 -13.169 3.516 -5.413 1.00 42.55 H new ATOM 0 HG13 ILE A 63 -13.911 4.267 -6.812 1.00 42.55 H new ATOM 0 HG21 ILE A 63 -10.259 3.790 -6.332 1.00 44.14 H new ATOM 0 HG22 ILE A 63 -9.966 5.421 -5.683 1.00 44.14 H new ATOM 0 HG23 ILE A 63 -10.835 4.216 -4.703 1.00 44.14 H new ATOM 0 HD11 ILE A 63 -13.213 1.987 -7.309 1.00 24.35 H new ATOM 0 HD12 ILE A 63 -12.290 3.152 -8.287 1.00 24.35 H new ATOM 0 HD13 ILE A 63 -11.537 2.389 -6.867 1.00 24.35 H new ATOM 917 N ASN A 64 -11.286 7.198 -3.718 1.00 71.14 N ATOM 918 CA ASN A 64 -10.355 8.112 -3.102 1.00 74.45 C ATOM 919 C ASN A 64 -9.080 7.447 -2.700 1.00 44.22 C ATOM 920 O ASN A 64 -8.052 8.083 -2.652 1.00 62.13 O ATOM 921 CB ASN A 64 -10.989 8.864 -1.940 1.00 52.12 C ATOM 922 CG ASN A 64 -12.014 9.864 -2.421 1.00 4.32 C ATOM 923 OD1 ASN A 64 -12.676 9.664 -3.402 1.00 65.25 O ATOM 924 ND2 ASN A 64 -12.113 10.943 -1.774 1.00 42.01 N ATOM 0 H ASN A 64 -11.723 6.551 -3.062 1.00 71.14 H new ATOM 0 HA ASN A 64 -10.094 8.847 -3.863 1.00 74.45 H new ATOM 0 HB2 ASN A 64 -11.462 8.155 -1.261 1.00 52.12 H new ATOM 0 HB3 ASN A 64 -10.214 9.380 -1.373 1.00 52.12 H new ATOM 0 HD21 ASN A 64 -12.765 11.665 -2.082 1.00 42.01 H new ATOM 0 HD22 ASN A 64 -11.541 11.093 -0.943 1.00 42.01 H new ATOM 931 N ARG A 65 -9.141 6.182 -2.407 1.00 45.23 N ATOM 932 CA ARG A 65 -7.946 5.404 -2.125 1.00 21.24 C ATOM 933 C ARG A 65 -8.198 3.980 -2.504 1.00 14.20 C ATOM 934 O ARG A 65 -9.345 3.552 -2.562 1.00 41.40 O ATOM 935 CB ARG A 65 -7.517 5.402 -0.631 1.00 31.44 C ATOM 936 CG ARG A 65 -7.152 6.727 0.030 1.00 51.31 C ATOM 937 CD ARG A 65 -6.600 6.441 1.428 1.00 61.54 C ATOM 938 NE ARG A 65 -6.096 7.636 2.127 1.00 4.11 N ATOM 939 CZ ARG A 65 -5.099 7.604 3.051 1.00 32.41 C ATOM 940 NH1 ARG A 65 -4.546 6.441 3.400 1.00 1.14 N ATOM 941 NH2 ARG A 65 -4.673 8.727 3.618 1.00 33.33 N ATOM 0 H ARG A 65 -10.011 5.652 -2.354 1.00 45.23 H new ATOM 0 HA ARG A 65 -7.147 5.872 -2.699 1.00 21.24 H new ATOM 0 HB2 ARG A 65 -8.329 4.958 -0.055 1.00 31.44 H new ATOM 0 HB3 ARG A 65 -6.658 4.738 -0.535 1.00 31.44 H new ATOM 0 HG2 ARG A 65 -6.410 7.256 -0.568 1.00 51.31 H new ATOM 0 HG3 ARG A 65 -8.029 7.372 0.094 1.00 51.31 H new ATOM 0 HD2 ARG A 65 -7.384 5.983 2.031 1.00 61.54 H new ATOM 0 HD3 ARG A 65 -5.794 5.712 1.347 1.00 61.54 H new ATOM 0 HE ARG A 65 -6.519 8.538 1.905 1.00 4.11 H new ATOM 0 HH11 ARG A 65 -4.871 5.573 2.973 1.00 1.14 H new ATOM 0 HH12 ARG A 65 -3.798 6.420 4.093 1.00 1.14 H new ATOM 0 HH21 ARG A 65 -5.094 9.620 3.361 1.00 33.33 H new ATOM 0 HH22 ARG A 65 -3.925 8.697 4.311 1.00 33.33 H new ATOM 955 N ILE A 66 -7.146 3.270 -2.787 1.00 41.45 N ATOM 956 CA ILE A 66 -7.199 1.846 -2.945 1.00 31.13 C ATOM 957 C ILE A 66 -5.904 1.332 -2.378 1.00 72.53 C ATOM 958 O ILE A 66 -4.843 1.930 -2.600 1.00 33.43 O ATOM 959 CB ILE A 66 -7.389 1.286 -4.418 1.00 70.53 C ATOM 960 CG1 ILE A 66 -6.169 1.433 -5.288 1.00 61.15 C ATOM 961 CG2 ILE A 66 -8.585 1.898 -5.112 1.00 23.24 C ATOM 962 CD1 ILE A 66 -6.331 0.760 -6.636 1.00 51.32 C ATOM 0 H ILE A 66 -6.216 3.668 -2.916 1.00 41.45 H new ATOM 0 HA ILE A 66 -8.099 1.501 -2.435 1.00 31.13 H new ATOM 0 HB ILE A 66 -7.563 0.219 -4.282 1.00 70.53 H new ATOM 0 HG12 ILE A 66 -5.959 2.492 -5.438 1.00 61.15 H new ATOM 0 HG13 ILE A 66 -5.307 1.007 -4.774 1.00 61.15 H new ATOM 0 HG21 ILE A 66 -8.674 1.484 -6.116 1.00 23.24 H new ATOM 0 HG22 ILE A 66 -9.489 1.673 -4.546 1.00 23.24 H new ATOM 0 HG23 ILE A 66 -8.456 2.978 -5.175 1.00 23.24 H new ATOM 0 HD11 ILE A 66 -5.423 0.897 -7.223 1.00 51.32 H new ATOM 0 HD12 ILE A 66 -6.513 -0.305 -6.491 1.00 51.32 H new ATOM 0 HD13 ILE A 66 -7.175 1.203 -7.165 1.00 51.32 H new ATOM 974 N THR A 67 -5.977 0.299 -1.657 1.00 64.11 N ATOM 975 CA THR A 67 -4.838 -0.263 -1.023 1.00 2.40 C ATOM 976 C THR A 67 -4.750 -1.710 -1.437 1.00 20.34 C ATOM 977 O THR A 67 -5.699 -2.436 -1.273 1.00 41.41 O ATOM 978 CB THR A 67 -4.991 -0.159 0.512 1.00 21.15 C ATOM 979 OG1 THR A 67 -5.210 1.214 0.880 1.00 73.40 O ATOM 980 CG2 THR A 67 -3.745 -0.676 1.221 1.00 21.20 C ATOM 0 H THR A 67 -6.846 -0.204 -1.477 1.00 64.11 H new ATOM 0 HA THR A 67 -3.933 0.270 -1.315 1.00 2.40 H new ATOM 0 HB THR A 67 -5.842 -0.769 0.815 1.00 21.15 H new ATOM 0 HG1 THR A 67 -5.309 1.280 1.853 1.00 73.40 H new ATOM 0 HG21 THR A 67 -3.879 -0.592 2.299 1.00 21.20 H new ATOM 0 HG22 THR A 67 -3.583 -1.721 0.956 1.00 21.20 H new ATOM 0 HG23 THR A 67 -2.881 -0.086 0.915 1.00 21.20 H new ATOM 988 N ILE A 68 -3.639 -2.132 -1.974 1.00 52.03 N ATOM 989 CA ILE A 68 -3.509 -3.492 -2.414 1.00 53.43 C ATOM 990 C ILE A 68 -2.346 -4.063 -1.666 1.00 53.34 C ATOM 991 O ILE A 68 -1.248 -3.541 -1.767 1.00 53.43 O ATOM 992 CB ILE A 68 -3.184 -3.652 -3.947 1.00 31.33 C ATOM 993 CG1 ILE A 68 -4.018 -2.733 -4.854 1.00 64.43 C ATOM 994 CG2 ILE A 68 -3.364 -5.103 -4.384 1.00 72.33 C ATOM 995 CD1 ILE A 68 -3.471 -1.328 -4.960 1.00 43.25 C ATOM 0 H ILE A 68 -2.811 -1.554 -2.117 1.00 52.03 H new ATOM 0 HA ILE A 68 -4.463 -3.988 -2.236 1.00 53.43 H new ATOM 0 HB ILE A 68 -2.143 -3.350 -4.063 1.00 31.33 H new ATOM 0 HG12 ILE A 68 -4.069 -3.170 -5.851 1.00 64.43 H new ATOM 0 HG13 ILE A 68 -5.038 -2.689 -4.473 1.00 64.43 H new ATOM 0 HG21 ILE A 68 -3.135 -5.194 -5.446 1.00 72.33 H new ATOM 0 HG22 ILE A 68 -2.691 -5.742 -3.812 1.00 72.33 H new ATOM 0 HG23 ILE A 68 -4.395 -5.411 -4.207 1.00 72.33 H new ATOM 0 HD11 ILE A 68 -4.110 -0.737 -5.616 1.00 43.25 H new ATOM 0 HD12 ILE A 68 -3.446 -0.872 -3.970 1.00 43.25 H new ATOM 0 HD13 ILE A 68 -2.462 -1.360 -5.370 1.00 43.25 H new ATOM 1007 N LEU A 69 -2.567 -5.054 -0.890 1.00 0.51 N ATOM 1008 CA LEU A 69 -1.481 -5.679 -0.199 1.00 43.42 C ATOM 1009 C LEU A 69 -1.371 -7.133 -0.530 1.00 74.20 C ATOM 1010 O LEU A 69 -2.372 -7.855 -0.569 1.00 63.01 O ATOM 1011 CB LEU A 69 -1.373 -5.368 1.325 1.00 24.45 C ATOM 1012 CG LEU A 69 -2.580 -5.616 2.232 1.00 24.11 C ATOM 1013 CD1 LEU A 69 -2.158 -5.453 3.684 1.00 64.23 C ATOM 1014 CD2 LEU A 69 -3.683 -4.622 1.932 1.00 64.01 C ATOM 0 H LEU A 69 -3.486 -5.458 -0.710 1.00 0.51 H new ATOM 0 HA LEU A 69 -0.589 -5.192 -0.594 1.00 43.42 H new ATOM 0 HB2 LEU A 69 -0.542 -5.953 1.720 1.00 24.45 H new ATOM 0 HB3 LEU A 69 -1.099 -4.318 1.425 1.00 24.45 H new ATOM 0 HG LEU A 69 -2.949 -6.626 2.053 1.00 24.11 H new ATOM 0 HD11 LEU A 69 -3.015 -5.629 4.334 1.00 64.23 H new ATOM 0 HD12 LEU A 69 -1.372 -6.171 3.917 1.00 64.23 H new ATOM 0 HD13 LEU A 69 -1.784 -4.442 3.843 1.00 64.23 H new ATOM 0 HD21 LEU A 69 -4.533 -4.814 2.586 1.00 64.01 H new ATOM 0 HD22 LEU A 69 -3.316 -3.610 2.101 1.00 64.01 H new ATOM 0 HD23 LEU A 69 -3.994 -4.727 0.893 1.00 64.01 H new ATOM 1026 N CYS A 70 -0.183 -7.554 -0.814 1.00 24.20 N ATOM 1027 CA CYS A 70 0.087 -8.918 -1.135 1.00 74.42 C ATOM 1028 C CYS A 70 1.005 -9.477 -0.080 1.00 41.53 C ATOM 1029 O CYS A 70 2.074 -8.894 0.185 1.00 24.01 O ATOM 1030 CB CYS A 70 0.741 -9.002 -2.509 1.00 4.02 C ATOM 1031 SG CYS A 70 -0.259 -8.309 -3.849 1.00 51.12 S ATOM 0 H CYS A 70 0.640 -6.952 -0.830 1.00 24.20 H new ATOM 0 HA CYS A 70 -0.838 -9.494 -1.161 1.00 74.42 H new ATOM 0 HB2 CYS A 70 1.697 -8.480 -2.477 1.00 4.02 H new ATOM 0 HB3 CYS A 70 0.956 -10.047 -2.734 1.00 4.02 H new ATOM 0 HG CYS A 70 0.382 -8.426 -4.974 1.00 51.12 H new ATOM 1037 N ASP A 71 0.620 -10.567 0.552 1.00 64.20 N ATOM 1038 CA ASP A 71 1.440 -11.086 1.608 1.00 52.45 C ATOM 1039 C ASP A 71 2.060 -12.394 1.247 1.00 51.03 C ATOM 1040 O ASP A 71 1.440 -13.241 0.615 1.00 52.42 O ATOM 1041 CB ASP A 71 0.688 -11.231 2.933 1.00 14.23 C ATOM 1042 CG ASP A 71 -0.293 -12.391 2.989 1.00 42.52 C ATOM 1043 OD1 ASP A 71 -1.449 -12.224 2.631 1.00 20.41 O ATOM 1044 OD2 ASP A 71 0.087 -13.481 3.446 1.00 53.44 O ATOM 0 H ASP A 71 -0.232 -11.093 0.355 1.00 64.20 H new ATOM 0 HA ASP A 71 2.227 -10.345 1.745 1.00 52.45 H new ATOM 0 HB2 ASP A 71 1.416 -11.351 3.736 1.00 14.23 H new ATOM 0 HB3 ASP A 71 0.146 -10.306 3.129 1.00 14.23 H new ATOM 1049 N LYS A 72 3.304 -12.526 1.608 1.00 21.30 N ATOM 1050 CA LYS A 72 4.025 -13.750 1.474 1.00 33.34 C ATOM 1051 C LYS A 72 4.441 -14.262 2.831 1.00 63.43 C ATOM 1052 O LYS A 72 5.180 -15.224 2.920 1.00 72.32 O ATOM 1053 CB LYS A 72 5.271 -13.573 0.615 1.00 25.23 C ATOM 1054 CG LYS A 72 5.012 -13.240 -0.832 1.00 14.33 C ATOM 1055 CD LYS A 72 6.321 -13.153 -1.579 1.00 70.32 C ATOM 1056 CE LYS A 72 6.106 -12.952 -3.056 1.00 25.12 C ATOM 1057 NZ LYS A 72 7.397 -12.919 -3.782 1.00 51.11 N ATOM 0 H LYS A 72 3.853 -11.767 2.012 1.00 21.30 H new ATOM 0 HA LYS A 72 3.361 -14.466 0.989 1.00 33.34 H new ATOM 0 HB2 LYS A 72 5.883 -12.782 1.049 1.00 25.23 H new ATOM 0 HB3 LYS A 72 5.857 -14.491 0.661 1.00 25.23 H new ATOM 0 HG2 LYS A 72 4.376 -14.002 -1.282 1.00 14.33 H new ATOM 0 HG3 LYS A 72 4.477 -12.294 -0.907 1.00 14.33 H new ATOM 0 HD2 LYS A 72 6.913 -12.328 -1.182 1.00 70.32 H new ATOM 0 HD3 LYS A 72 6.895 -14.065 -1.415 1.00 70.32 H new ATOM 0 HE2 LYS A 72 5.484 -13.756 -3.449 1.00 25.12 H new ATOM 0 HE3 LYS A 72 5.566 -12.020 -3.225 1.00 25.12 H new ATOM 0 HZ1 LYS A 72 7.224 -12.729 -4.790 1.00 51.11 H new ATOM 0 HZ2 LYS A 72 7.999 -12.169 -3.386 1.00 51.11 H new ATOM 0 HZ3 LYS A 72 7.876 -13.836 -3.680 1.00 51.11 H new ATOM 1071 N PHE A 73 3.965 -13.622 3.914 1.00 4.12 N ATOM 1072 CA PHE A 73 4.316 -14.097 5.265 1.00 72.03 C ATOM 1073 C PHE A 73 3.630 -15.434 5.533 1.00 75.05 C ATOM 1074 O PHE A 73 3.974 -16.166 6.454 1.00 2.54 O ATOM 1075 CB PHE A 73 3.991 -13.057 6.378 1.00 42.21 C ATOM 1076 CG PHE A 73 2.529 -12.770 6.616 1.00 32.42 C ATOM 1077 CD1 PHE A 73 1.773 -13.598 7.426 1.00 24.24 C ATOM 1078 CD2 PHE A 73 1.927 -11.678 6.051 1.00 53.15 C ATOM 1079 CE1 PHE A 73 0.445 -13.340 7.660 1.00 53.03 C ATOM 1080 CE2 PHE A 73 0.593 -11.413 6.281 1.00 64.05 C ATOM 1081 CZ PHE A 73 -0.147 -12.244 7.086 1.00 2.14 C ATOM 0 H PHE A 73 3.357 -12.803 3.886 1.00 4.12 H new ATOM 0 HA PHE A 73 5.397 -14.234 5.296 1.00 72.03 H new ATOM 0 HB2 PHE A 73 4.428 -13.408 7.313 1.00 42.21 H new ATOM 0 HB3 PHE A 73 4.487 -12.120 6.127 1.00 42.21 H new ATOM 0 HD1 PHE A 73 2.235 -14.461 7.882 1.00 24.24 H new ATOM 0 HD2 PHE A 73 2.502 -11.018 5.419 1.00 53.15 H new ATOM 0 HE1 PHE A 73 -0.131 -13.998 8.294 1.00 53.03 H new ATOM 0 HE2 PHE A 73 0.129 -10.550 5.827 1.00 64.05 H new ATOM 0 HZ PHE A 73 -1.191 -12.035 7.266 1.00 2.14 H new ATOM 1091 N SER A 74 2.652 -15.723 4.710 1.00 13.33 N ATOM 1092 CA SER A 74 1.946 -16.973 4.734 1.00 23.34 C ATOM 1093 C SER A 74 2.694 -18.005 3.861 1.00 73.34 C ATOM 1094 O SER A 74 2.202 -19.109 3.609 1.00 11.42 O ATOM 1095 CB SER A 74 0.544 -16.742 4.192 1.00 21.23 C ATOM 1096 OG SER A 74 -0.098 -15.678 4.902 1.00 20.43 O ATOM 0 H SER A 74 2.320 -15.080 3.991 1.00 13.33 H new ATOM 0 HA SER A 74 1.887 -17.358 5.752 1.00 23.34 H new ATOM 0 HB2 SER A 74 0.593 -16.501 3.130 1.00 21.23 H new ATOM 0 HB3 SER A 74 -0.043 -17.656 4.285 1.00 21.23 H new ATOM 0 HG SER A 74 0.211 -14.817 4.550 1.00 20.43 H new ATOM 1102 N GLY A 75 3.877 -17.617 3.390 1.00 42.24 N ATOM 1103 CA GLY A 75 4.680 -18.458 2.528 1.00 64.23 C ATOM 1104 C GLY A 75 4.297 -18.258 1.088 1.00 21.31 C ATOM 1105 O GLY A 75 5.122 -17.928 0.238 1.00 0.43 O ATOM 0 H GLY A 75 4.298 -16.712 3.599 1.00 42.24 H new ATOM 0 HA2 GLY A 75 5.736 -18.225 2.665 1.00 64.23 H new ATOM 0 HA3 GLY A 75 4.546 -19.504 2.804 1.00 64.23 H new ATOM 1109 N HIS A 76 3.032 -18.419 0.845 1.00 51.44 N ATOM 1110 CA HIS A 76 2.471 -18.275 -0.475 1.00 65.41 C ATOM 1111 C HIS A 76 1.918 -16.878 -0.618 1.00 20.15 C ATOM 1112 O HIS A 76 1.314 -16.358 0.325 1.00 1.40 O ATOM 1113 CB HIS A 76 1.394 -19.331 -0.756 1.00 71.13 C ATOM 1114 CG HIS A 76 1.894 -20.739 -0.643 1.00 3.11 C ATOM 1115 ND1 HIS A 76 2.603 -21.367 -1.631 1.00 64.25 N ATOM 1116 CD2 HIS A 76 1.799 -21.627 0.367 1.00 33.33 C ATOM 1117 CE1 HIS A 76 2.924 -22.577 -1.240 1.00 31.40 C ATOM 1118 NE2 HIS A 76 2.448 -22.762 -0.030 1.00 21.51 N ATOM 0 H HIS A 76 2.347 -18.657 1.563 1.00 51.44 H new ATOM 0 HA HIS A 76 3.257 -18.434 -1.213 1.00 65.41 H new ATOM 0 HB2 HIS A 76 0.568 -19.190 -0.059 1.00 71.13 H new ATOM 0 HB3 HIS A 76 0.996 -19.175 -1.759 1.00 71.13 H new ATOM 0 HD2 HIS A 76 1.303 -21.470 1.313 1.00 33.33 H new ATOM 0 HE1 HIS A 76 3.485 -23.299 -1.815 1.00 31.40 H new ATOM 0 HE2 HIS A 76 2.547 -23.613 0.523 1.00 21.51 H new ATOM 1127 N PRO A 77 2.138 -16.242 -1.770 1.00 72.34 N ATOM 1128 CA PRO A 77 1.690 -14.875 -2.000 1.00 65.50 C ATOM 1129 C PRO A 77 0.176 -14.770 -2.160 1.00 14.23 C ATOM 1130 O PRO A 77 -0.412 -15.380 -3.075 1.00 73.23 O ATOM 1131 CB PRO A 77 2.391 -14.502 -3.323 1.00 4.03 C ATOM 1132 CG PRO A 77 2.644 -15.794 -4.012 1.00 12.15 C ATOM 1133 CD PRO A 77 2.843 -16.811 -2.936 1.00 23.31 C ATOM 0 HA PRO A 77 1.930 -14.221 -1.162 1.00 65.50 H new ATOM 0 HB2 PRO A 77 1.764 -13.849 -3.930 1.00 4.03 H new ATOM 0 HB3 PRO A 77 3.322 -13.967 -3.137 1.00 4.03 H new ATOM 0 HG2 PRO A 77 1.804 -16.064 -4.652 1.00 12.15 H new ATOM 0 HG3 PRO A 77 3.524 -15.728 -4.652 1.00 12.15 H new ATOM 0 HD2 PRO A 77 2.428 -17.778 -3.220 1.00 23.31 H new ATOM 0 HD3 PRO A 77 3.901 -16.967 -2.725 1.00 23.31 H new ATOM 1141 N LYS A 78 -0.461 -14.035 -1.271 1.00 42.12 N ATOM 1142 CA LYS A 78 -1.878 -13.781 -1.381 1.00 61.35 C ATOM 1143 C LYS A 78 -2.094 -12.326 -1.656 1.00 34.31 C ATOM 1144 O LYS A 78 -1.181 -11.531 -1.498 1.00 14.43 O ATOM 1145 CB LYS A 78 -2.615 -14.101 -0.087 1.00 21.33 C ATOM 1146 CG LYS A 78 -2.335 -15.459 0.500 1.00 45.31 C ATOM 1147 CD LYS A 78 -3.417 -15.858 1.513 1.00 72.21 C ATOM 1148 CE LYS A 78 -3.641 -14.814 2.618 1.00 3.11 C ATOM 1149 NZ LYS A 78 -2.451 -14.596 3.462 1.00 25.43 N ATOM 0 H LYS A 78 -0.015 -13.603 -0.462 1.00 42.12 H new ATOM 0 HA LYS A 78 -2.259 -14.414 -2.182 1.00 61.35 H new ATOM 0 HB2 LYS A 78 -2.358 -13.344 0.654 1.00 21.33 H new ATOM 0 HB3 LYS A 78 -3.686 -14.017 -0.269 1.00 21.33 H new ATOM 0 HG2 LYS A 78 -2.288 -16.201 -0.298 1.00 45.31 H new ATOM 0 HG3 LYS A 78 -1.360 -15.454 0.988 1.00 45.31 H new ATOM 0 HD2 LYS A 78 -4.356 -16.021 0.984 1.00 72.21 H new ATOM 0 HD3 LYS A 78 -3.141 -16.807 1.972 1.00 72.21 H new ATOM 0 HE2 LYS A 78 -3.933 -13.868 2.161 1.00 3.11 H new ATOM 0 HE3 LYS A 78 -4.471 -15.133 3.248 1.00 3.11 H new ATOM 0 HZ1 LYS A 78 -2.636 -14.953 4.421 1.00 25.43 H new ATOM 0 HZ2 LYS A 78 -1.639 -15.102 3.055 1.00 25.43 H new ATOM 0 HZ3 LYS A 78 -2.238 -13.579 3.506 1.00 25.43 H new ATOM 1163 N GLY A 79 -3.275 -11.978 -2.067 1.00 63.41 N ATOM 1164 CA GLY A 79 -3.589 -10.607 -2.262 1.00 1.34 C ATOM 1165 C GLY A 79 -4.960 -10.231 -1.766 1.00 0.34 C ATOM 1166 O GLY A 79 -5.909 -11.028 -1.817 1.00 11.24 O ATOM 0 H GLY A 79 -4.033 -12.629 -2.272 1.00 63.41 H new ATOM 0 HA2 GLY A 79 -2.845 -9.995 -1.751 1.00 1.34 H new ATOM 0 HA3 GLY A 79 -3.518 -10.373 -3.324 1.00 1.34 H new ATOM 1170 N TYR A 80 -5.048 -9.031 -1.282 1.00 33.22 N ATOM 1171 CA TYR A 80 -6.278 -8.442 -0.850 1.00 21.41 C ATOM 1172 C TYR A 80 -6.185 -6.938 -0.952 1.00 53.32 C ATOM 1173 O TYR A 80 -5.113 -6.356 -0.747 1.00 22.34 O ATOM 1174 CB TYR A 80 -6.745 -8.958 0.537 1.00 41.00 C ATOM 1175 CG TYR A 80 -5.743 -8.875 1.681 1.00 71.04 C ATOM 1176 CD1 TYR A 80 -4.689 -9.773 1.771 1.00 63.02 C ATOM 1177 CD2 TYR A 80 -5.877 -7.930 2.683 1.00 32.31 C ATOM 1178 CE1 TYR A 80 -3.801 -9.729 2.819 1.00 22.44 C ATOM 1179 CE2 TYR A 80 -4.984 -7.877 3.742 1.00 22.45 C ATOM 1180 CZ TYR A 80 -3.952 -8.782 3.804 1.00 62.44 C ATOM 1181 OH TYR A 80 -3.055 -8.742 4.862 1.00 41.30 O ATOM 0 H TYR A 80 -4.242 -8.416 -1.173 1.00 33.22 H new ATOM 0 HA TYR A 80 -7.073 -8.764 -1.522 1.00 21.41 H new ATOM 0 HB2 TYR A 80 -7.634 -8.397 0.825 1.00 41.00 H new ATOM 0 HB3 TYR A 80 -7.047 -10.000 0.426 1.00 41.00 H new ATOM 0 HD1 TYR A 80 -4.564 -10.521 1.002 1.00 63.02 H new ATOM 0 HD2 TYR A 80 -6.691 -7.222 2.639 1.00 32.31 H new ATOM 0 HE1 TYR A 80 -2.987 -10.437 2.869 1.00 22.44 H new ATOM 0 HE2 TYR A 80 -5.099 -7.129 4.513 1.00 22.45 H new ATOM 0 HH TYR A 80 -3.300 -8.015 5.471 1.00 41.30 H new ATOM 1191 N ALA A 81 -7.278 -6.309 -1.284 1.00 60.13 N ATOM 1192 CA ALA A 81 -7.281 -4.900 -1.562 1.00 22.11 C ATOM 1193 C ALA A 81 -8.409 -4.214 -0.842 1.00 24.22 C ATOM 1194 O ALA A 81 -9.396 -4.826 -0.525 1.00 35.03 O ATOM 1195 CB ALA A 81 -7.394 -4.666 -3.061 1.00 74.52 C ATOM 0 H ALA A 81 -8.190 -6.758 -1.369 1.00 60.13 H new ATOM 0 HA ALA A 81 -6.342 -4.476 -1.205 1.00 22.11 H new ATOM 0 HB1 ALA A 81 -7.396 -3.595 -3.263 1.00 74.52 H new ATOM 0 HB2 ALA A 81 -6.547 -5.129 -3.566 1.00 74.52 H new ATOM 0 HB3 ALA A 81 -8.321 -5.106 -3.429 1.00 74.52 H new ATOM 1201 N TYR A 82 -8.229 -2.969 -0.552 1.00 43.42 N ATOM 1202 CA TYR A 82 -9.235 -2.156 0.096 1.00 75.43 C ATOM 1203 C TYR A 82 -9.505 -0.964 -0.759 1.00 0.12 C ATOM 1204 O TYR A 82 -8.572 -0.346 -1.260 1.00 42.00 O ATOM 1205 CB TYR A 82 -8.746 -1.731 1.480 1.00 61.12 C ATOM 1206 CG TYR A 82 -8.505 -2.904 2.383 1.00 52.21 C ATOM 1207 CD1 TYR A 82 -7.335 -3.635 2.303 1.00 41.05 C ATOM 1208 CD2 TYR A 82 -9.454 -3.297 3.288 1.00 62.21 C ATOM 1209 CE1 TYR A 82 -7.125 -4.720 3.105 1.00 12.31 C ATOM 1210 CE2 TYR A 82 -9.253 -4.387 4.090 1.00 74.21 C ATOM 1211 CZ TYR A 82 -8.074 -5.096 3.990 1.00 71.35 C ATOM 1212 OH TYR A 82 -7.853 -6.208 4.773 1.00 21.34 O ATOM 0 H TYR A 82 -7.365 -2.467 -0.758 1.00 43.42 H new ATOM 0 HA TYR A 82 -10.156 -2.725 0.223 1.00 75.43 H new ATOM 0 HB2 TYR A 82 -7.824 -1.159 1.377 1.00 61.12 H new ATOM 0 HB3 TYR A 82 -9.483 -1.069 1.936 1.00 61.12 H new ATOM 0 HD1 TYR A 82 -6.574 -3.343 1.594 1.00 41.05 H new ATOM 0 HD2 TYR A 82 -10.375 -2.738 3.370 1.00 62.21 H new ATOM 0 HE1 TYR A 82 -6.202 -5.276 3.032 1.00 12.31 H new ATOM 0 HE2 TYR A 82 -10.012 -4.690 4.796 1.00 74.21 H new ATOM 0 HH TYR A 82 -7.128 -6.741 4.386 1.00 21.34 H new ATOM 1222 N ILE A 83 -10.754 -0.681 -1.002 1.00 1.45 N ATOM 1223 CA ILE A 83 -11.113 0.434 -1.837 1.00 10.44 C ATOM 1224 C ILE A 83 -11.870 1.474 -0.995 1.00 51.31 C ATOM 1225 O ILE A 83 -12.915 1.165 -0.419 1.00 21.24 O ATOM 1226 CB ILE A 83 -12.065 -0.029 -2.984 1.00 2.02 C ATOM 1227 CG1 ILE A 83 -11.553 -1.313 -3.691 1.00 42.22 C ATOM 1228 CG2 ILE A 83 -12.253 1.087 -3.997 1.00 1.13 C ATOM 1229 CD1 ILE A 83 -10.202 -1.202 -4.369 1.00 61.30 C ATOM 0 H ILE A 83 -11.545 -1.209 -0.633 1.00 1.45 H new ATOM 0 HA ILE A 83 -10.201 0.857 -2.258 1.00 10.44 H new ATOM 0 HB ILE A 83 -13.025 -0.270 -2.528 1.00 2.02 H new ATOM 0 HG12 ILE A 83 -11.503 -2.115 -2.954 1.00 42.22 H new ATOM 0 HG13 ILE A 83 -12.289 -1.611 -4.438 1.00 42.22 H new ATOM 0 HG21 ILE A 83 -12.919 0.749 -4.791 1.00 1.13 H new ATOM 0 HG22 ILE A 83 -12.688 1.957 -3.504 1.00 1.13 H new ATOM 0 HG23 ILE A 83 -11.287 1.357 -4.424 1.00 1.13 H new ATOM 0 HD11 ILE A 83 -9.946 -2.157 -4.829 1.00 61.30 H new ATOM 0 HD12 ILE A 83 -10.242 -0.429 -5.136 1.00 61.30 H new ATOM 0 HD13 ILE A 83 -9.445 -0.940 -3.630 1.00 61.30 H new ATOM 1241 N GLU A 84 -11.348 2.670 -0.923 1.00 74.51 N ATOM 1242 CA GLU A 84 -11.995 3.754 -0.205 1.00 24.53 C ATOM 1243 C GLU A 84 -12.723 4.667 -1.189 1.00 54.23 C ATOM 1244 O GLU A 84 -12.109 5.220 -2.111 1.00 65.40 O ATOM 1245 CB GLU A 84 -10.983 4.593 0.611 1.00 45.51 C ATOM 1246 CG GLU A 84 -10.328 3.905 1.830 1.00 64.21 C ATOM 1247 CD GLU A 84 -9.528 2.651 1.514 1.00 14.33 C ATOM 1248 OE1 GLU A 84 -8.354 2.772 1.105 1.00 63.15 O ATOM 1249 OE2 GLU A 84 -10.070 1.544 1.713 1.00 71.34 O ATOM 0 H GLU A 84 -10.462 2.928 -1.358 1.00 74.51 H new ATOM 0 HA GLU A 84 -12.704 3.306 0.491 1.00 24.53 H new ATOM 0 HB2 GLU A 84 -10.190 4.917 -0.063 1.00 45.51 H new ATOM 0 HB3 GLU A 84 -11.491 5.492 0.961 1.00 45.51 H new ATOM 0 HG2 GLU A 84 -9.670 4.622 2.321 1.00 64.21 H new ATOM 0 HG3 GLU A 84 -11.110 3.647 2.545 1.00 64.21 H new ATOM 1256 N PHE A 85 -14.013 4.819 -1.008 1.00 73.00 N ATOM 1257 CA PHE A 85 -14.820 5.682 -1.868 1.00 10.44 C ATOM 1258 C PHE A 85 -15.048 7.039 -1.212 1.00 24.53 C ATOM 1259 O PHE A 85 -14.853 7.189 -0.017 1.00 70.13 O ATOM 1260 CB PHE A 85 -16.175 5.038 -2.169 1.00 14.53 C ATOM 1261 CG PHE A 85 -16.100 3.771 -2.964 1.00 45.01 C ATOM 1262 CD1 PHE A 85 -16.132 3.813 -4.343 1.00 13.01 C ATOM 1263 CD2 PHE A 85 -16.010 2.540 -2.337 1.00 40.11 C ATOM 1264 CE1 PHE A 85 -16.076 2.658 -5.086 1.00 71.31 C ATOM 1265 CE2 PHE A 85 -15.950 1.382 -3.075 1.00 22.11 C ATOM 1266 CZ PHE A 85 -15.984 1.442 -4.451 1.00 64.31 C ATOM 0 H PHE A 85 -14.540 4.355 -0.268 1.00 73.00 H new ATOM 0 HA PHE A 85 -14.272 5.819 -2.800 1.00 10.44 H new ATOM 0 HB2 PHE A 85 -16.681 4.831 -1.226 1.00 14.53 H new ATOM 0 HB3 PHE A 85 -16.791 5.756 -2.711 1.00 14.53 H new ATOM 0 HD1 PHE A 85 -16.202 4.767 -4.845 1.00 13.01 H new ATOM 0 HD2 PHE A 85 -15.987 2.489 -1.258 1.00 40.11 H new ATOM 0 HE1 PHE A 85 -16.104 2.705 -6.165 1.00 71.31 H new ATOM 0 HE2 PHE A 85 -15.876 0.427 -2.577 1.00 22.11 H new ATOM 0 HZ PHE A 85 -15.938 0.533 -5.032 1.00 64.31 H new ATOM 1276 N ALA A 86 -15.431 8.034 -2.002 1.00 70.44 N ATOM 1277 CA ALA A 86 -15.763 9.340 -1.449 1.00 2.12 C ATOM 1278 C ALA A 86 -17.212 9.390 -0.985 1.00 3.13 C ATOM 1279 O ALA A 86 -17.555 10.135 -0.062 1.00 54.01 O ATOM 1280 CB ALA A 86 -15.496 10.442 -2.446 1.00 4.32 C ATOM 0 H ALA A 86 -15.519 7.964 -3.016 1.00 70.44 H new ATOM 0 HA ALA A 86 -15.119 9.498 -0.584 1.00 2.12 H new ATOM 0 HB1 ALA A 86 -15.754 11.404 -2.003 1.00 4.32 H new ATOM 0 HB2 ALA A 86 -14.440 10.439 -2.718 1.00 4.32 H new ATOM 0 HB3 ALA A 86 -16.101 10.280 -3.338 1.00 4.32 H new ATOM 1286 N GLU A 87 -18.067 8.626 -1.630 1.00 32.22 N ATOM 1287 CA GLU A 87 -19.471 8.589 -1.255 1.00 3.14 C ATOM 1288 C GLU A 87 -19.730 7.386 -0.364 1.00 20.22 C ATOM 1289 O GLU A 87 -19.158 6.310 -0.580 1.00 73.21 O ATOM 1290 CB GLU A 87 -20.404 8.471 -2.486 1.00 12.34 C ATOM 1291 CG GLU A 87 -20.262 9.527 -3.585 1.00 33.52 C ATOM 1292 CD GLU A 87 -18.930 9.472 -4.293 1.00 22.15 C ATOM 1293 OE1 GLU A 87 -18.629 8.453 -4.960 1.00 41.44 O ATOM 1294 OE2 GLU A 87 -18.143 10.407 -4.150 1.00 62.32 O ATOM 0 H GLU A 87 -17.820 8.023 -2.414 1.00 32.22 H new ATOM 0 HA GLU A 87 -19.685 9.524 -0.738 1.00 3.14 H new ATOM 0 HB2 GLU A 87 -20.243 7.492 -2.937 1.00 12.34 H new ATOM 0 HB3 GLU A 87 -21.434 8.492 -2.130 1.00 12.34 H new ATOM 0 HG2 GLU A 87 -21.060 9.392 -4.315 1.00 33.52 H new ATOM 0 HG3 GLU A 87 -20.394 10.517 -3.148 1.00 33.52 H new ATOM 1301 N ARG A 88 -20.598 7.557 0.618 1.00 33.40 N ATOM 1302 CA ARG A 88 -21.010 6.465 1.504 1.00 51.02 C ATOM 1303 C ARG A 88 -21.891 5.539 0.649 1.00 4.13 C ATOM 1304 O ARG A 88 -21.934 4.342 0.821 1.00 20.24 O ATOM 1305 CB ARG A 88 -21.869 7.053 2.652 1.00 34.42 C ATOM 1306 CG ARG A 88 -21.773 6.363 4.034 1.00 53.54 C ATOM 1307 CD ARG A 88 -22.012 4.859 4.030 1.00 61.21 C ATOM 1308 NE ARG A 88 -23.332 4.483 3.475 1.00 21.11 N ATOM 1309 CZ ARG A 88 -23.759 3.216 3.276 1.00 35.11 C ATOM 1310 NH1 ARG A 88 -23.005 2.181 3.651 1.00 51.30 N ATOM 1311 NH2 ARG A 88 -24.945 2.997 2.717 1.00 35.24 N ATOM 0 H ARG A 88 -21.040 8.452 0.829 1.00 33.40 H new ATOM 0 HA ARG A 88 -20.156 5.937 1.928 1.00 51.02 H new ATOM 0 HB2 ARG A 88 -21.593 8.100 2.778 1.00 34.42 H new ATOM 0 HB3 ARG A 88 -22.912 7.034 2.337 1.00 34.42 H new ATOM 0 HG2 ARG A 88 -20.784 6.556 4.450 1.00 53.54 H new ATOM 0 HG3 ARG A 88 -22.496 6.827 4.704 1.00 53.54 H new ATOM 0 HD2 ARG A 88 -21.228 4.374 3.448 1.00 61.21 H new ATOM 0 HD3 ARG A 88 -21.932 4.482 5.049 1.00 61.21 H new ATOM 0 HE ARG A 88 -23.969 5.239 3.223 1.00 21.11 H new ATOM 0 HH11 ARG A 88 -22.099 2.343 4.091 1.00 51.30 H new ATOM 0 HH12 ARG A 88 -23.334 1.228 3.497 1.00 51.30 H new ATOM 0 HH21 ARG A 88 -25.531 3.784 2.439 1.00 35.24 H new ATOM 0 HH22 ARG A 88 -25.269 2.042 2.566 1.00 35.24 H new ATOM 1325 N ASN A 89 -22.561 6.144 -0.291 1.00 74.25 N ATOM 1326 CA ASN A 89 -23.456 5.455 -1.202 1.00 3.52 C ATOM 1327 C ASN A 89 -22.672 4.535 -2.131 1.00 14.15 C ATOM 1328 O ASN A 89 -23.122 3.443 -2.458 1.00 71.31 O ATOM 1329 CB ASN A 89 -24.222 6.486 -2.026 1.00 71.44 C ATOM 1330 CG ASN A 89 -24.992 7.471 -1.169 1.00 4.32 C ATOM 1331 OD1 ASN A 89 -24.457 8.460 -0.738 1.00 1.04 O ATOM 1332 ND2 ASN A 89 -26.221 7.243 -0.959 1.00 1.15 N ATOM 0 H ASN A 89 -22.505 7.149 -0.456 1.00 74.25 H new ATOM 0 HA ASN A 89 -24.153 4.849 -0.624 1.00 3.52 H new ATOM 0 HB2 ASN A 89 -23.521 7.032 -2.658 1.00 71.44 H new ATOM 0 HB3 ASN A 89 -24.915 5.970 -2.690 1.00 71.44 H new ATOM 0 HD21 ASN A 89 -26.777 7.904 -0.416 1.00 1.15 H new ATOM 0 HD22 ASN A 89 -26.654 6.399 -1.333 1.00 1.15 H new ATOM 1339 N SER A 90 -21.480 4.958 -2.522 1.00 1.45 N ATOM 1340 CA SER A 90 -20.669 4.211 -3.444 1.00 15.24 C ATOM 1341 C SER A 90 -20.112 2.943 -2.807 1.00 11.33 C ATOM 1342 O SER A 90 -20.014 1.906 -3.457 1.00 24.42 O ATOM 1343 CB SER A 90 -19.562 5.102 -3.970 1.00 32.44 C ATOM 1344 OG SER A 90 -20.120 6.237 -4.615 1.00 72.01 O ATOM 0 H SER A 90 -21.056 5.830 -2.204 1.00 1.45 H new ATOM 0 HA SER A 90 -21.292 3.888 -4.278 1.00 15.24 H new ATOM 0 HB2 SER A 90 -18.918 5.419 -3.150 1.00 32.44 H new ATOM 0 HB3 SER A 90 -18.937 4.546 -4.669 1.00 32.44 H new ATOM 0 HG SER A 90 -19.402 6.853 -4.872 1.00 72.01 H new ATOM 1350 N VAL A 91 -19.758 3.020 -1.532 1.00 60.43 N ATOM 1351 CA VAL A 91 -19.278 1.846 -0.835 1.00 23.31 C ATOM 1352 C VAL A 91 -20.412 0.829 -0.721 1.00 41.42 C ATOM 1353 O VAL A 91 -20.204 -0.385 -0.852 1.00 55.32 O ATOM 1354 CB VAL A 91 -18.616 2.162 0.557 1.00 60.14 C ATOM 1355 CG1 VAL A 91 -19.587 2.759 1.524 1.00 52.33 C ATOM 1356 CG2 VAL A 91 -18.020 0.934 1.160 1.00 50.44 C ATOM 0 H VAL A 91 -19.795 3.871 -0.971 1.00 60.43 H new ATOM 0 HA VAL A 91 -18.469 1.417 -1.426 1.00 23.31 H new ATOM 0 HB VAL A 91 -17.831 2.893 0.362 1.00 60.14 H new ATOM 0 HG11 VAL A 91 -19.083 2.959 2.469 1.00 52.33 H new ATOM 0 HG12 VAL A 91 -19.979 3.691 1.117 1.00 52.33 H new ATOM 0 HG13 VAL A 91 -20.409 2.063 1.691 1.00 52.33 H new ATOM 0 HG21 VAL A 91 -17.570 1.182 2.121 1.00 50.44 H new ATOM 0 HG22 VAL A 91 -18.799 0.186 1.307 1.00 50.44 H new ATOM 0 HG23 VAL A 91 -17.255 0.536 0.493 1.00 50.44 H new ATOM 1366 N ASP A 92 -21.627 1.343 -0.507 1.00 11.14 N ATOM 1367 CA ASP A 92 -22.828 0.522 -0.405 1.00 61.11 C ATOM 1368 C ASP A 92 -23.112 -0.163 -1.748 1.00 63.10 C ATOM 1369 O ASP A 92 -23.632 -1.275 -1.803 1.00 33.02 O ATOM 1370 CB ASP A 92 -24.006 1.410 -0.018 1.00 54.21 C ATOM 1371 CG ASP A 92 -25.228 0.636 0.418 1.00 22.34 C ATOM 1372 OD1 ASP A 92 -26.076 0.300 -0.424 1.00 11.40 O ATOM 1373 OD2 ASP A 92 -25.351 0.374 1.657 1.00 3.44 O ATOM 0 H ASP A 92 -21.801 2.342 -0.400 1.00 11.14 H new ATOM 0 HA ASP A 92 -22.681 -0.246 0.355 1.00 61.11 H new ATOM 0 HB2 ASP A 92 -23.700 2.074 0.790 1.00 54.21 H new ATOM 0 HB3 ASP A 92 -24.269 2.041 -0.867 1.00 54.21 H new ATOM 1378 N ALA A 93 -22.747 0.507 -2.824 1.00 33.13 N ATOM 1379 CA ALA A 93 -22.900 -0.036 -4.162 1.00 41.22 C ATOM 1380 C ALA A 93 -21.864 -1.132 -4.427 1.00 22.21 C ATOM 1381 O ALA A 93 -22.125 -2.092 -5.155 1.00 33.41 O ATOM 1382 CB ALA A 93 -22.792 1.072 -5.201 1.00 75.23 C ATOM 0 H ALA A 93 -22.337 1.441 -2.797 1.00 33.13 H new ATOM 0 HA ALA A 93 -23.891 -0.484 -4.239 1.00 41.22 H new ATOM 0 HB1 ALA A 93 -22.909 0.648 -6.198 1.00 75.23 H new ATOM 0 HB2 ALA A 93 -23.574 1.811 -5.027 1.00 75.23 H new ATOM 0 HB3 ALA A 93 -21.816 1.551 -5.122 1.00 75.23 H new ATOM 1388 N ALA A 94 -20.699 -0.991 -3.814 1.00 61.15 N ATOM 1389 CA ALA A 94 -19.613 -1.943 -3.991 1.00 65.52 C ATOM 1390 C ALA A 94 -19.903 -3.230 -3.227 1.00 33.41 C ATOM 1391 O ALA A 94 -19.699 -4.323 -3.740 1.00 61.22 O ATOM 1392 CB ALA A 94 -18.288 -1.334 -3.550 1.00 12.22 C ATOM 0 H ALA A 94 -20.480 -0.219 -3.184 1.00 61.15 H new ATOM 0 HA ALA A 94 -19.535 -2.187 -5.051 1.00 65.52 H new ATOM 0 HB1 ALA A 94 -17.489 -2.062 -3.690 1.00 12.22 H new ATOM 0 HB2 ALA A 94 -18.079 -0.446 -4.147 1.00 12.22 H new ATOM 0 HB3 ALA A 94 -18.347 -1.058 -2.497 1.00 12.22 H new ATOM 1398 N VAL A 95 -20.379 -3.090 -1.995 1.00 42.11 N ATOM 1399 CA VAL A 95 -20.756 -4.250 -1.161 1.00 53.42 C ATOM 1400 C VAL A 95 -21.833 -5.132 -1.813 1.00 54.33 C ATOM 1401 O VAL A 95 -21.960 -6.290 -1.474 1.00 34.30 O ATOM 1402 CB VAL A 95 -21.173 -3.884 0.288 1.00 33.33 C ATOM 1403 CG1 VAL A 95 -20.085 -3.119 0.991 1.00 11.34 C ATOM 1404 CG2 VAL A 95 -22.488 -3.138 0.339 1.00 45.43 C ATOM 0 H VAL A 95 -20.517 -2.187 -1.541 1.00 42.11 H new ATOM 0 HA VAL A 95 -19.834 -4.827 -1.090 1.00 53.42 H new ATOM 0 HB VAL A 95 -21.324 -4.824 0.819 1.00 33.33 H new ATOM 0 HG11 VAL A 95 -20.407 -2.877 2.004 1.00 11.34 H new ATOM 0 HG12 VAL A 95 -19.181 -3.727 1.033 1.00 11.34 H new ATOM 0 HG13 VAL A 95 -19.878 -2.198 0.446 1.00 11.34 H new ATOM 0 HG21 VAL A 95 -22.734 -2.905 1.375 1.00 45.43 H new ATOM 0 HG22 VAL A 95 -22.404 -2.212 -0.230 1.00 45.43 H new ATOM 0 HG23 VAL A 95 -23.275 -3.758 -0.091 1.00 45.43 H new ATOM 1414 N ALA A 96 -22.604 -4.572 -2.740 1.00 53.20 N ATOM 1415 CA ALA A 96 -23.625 -5.334 -3.475 1.00 65.12 C ATOM 1416 C ALA A 96 -22.957 -6.308 -4.472 1.00 71.00 C ATOM 1417 O ALA A 96 -23.598 -7.222 -5.008 1.00 24.13 O ATOM 1418 CB ALA A 96 -24.547 -4.375 -4.213 1.00 14.14 C ATOM 0 H ALA A 96 -22.545 -3.589 -3.006 1.00 53.20 H new ATOM 0 HA ALA A 96 -24.211 -5.918 -2.765 1.00 65.12 H new ATOM 0 HB1 ALA A 96 -25.302 -4.942 -4.757 1.00 14.14 H new ATOM 0 HB2 ALA A 96 -25.035 -3.715 -3.496 1.00 14.14 H new ATOM 0 HB3 ALA A 96 -23.965 -3.779 -4.916 1.00 14.14 H new ATOM 1424 N MET A 97 -21.684 -6.111 -4.691 1.00 3.41 N ATOM 1425 CA MET A 97 -20.887 -6.936 -5.593 1.00 55.03 C ATOM 1426 C MET A 97 -20.024 -7.897 -4.761 1.00 52.30 C ATOM 1427 O MET A 97 -19.147 -8.588 -5.281 1.00 45.35 O ATOM 1428 CB MET A 97 -20.028 -6.005 -6.489 1.00 73.21 C ATOM 1429 CG MET A 97 -19.182 -6.675 -7.561 1.00 13.12 C ATOM 1430 SD MET A 97 -18.462 -5.469 -8.705 1.00 33.02 S ATOM 1431 CE MET A 97 -17.510 -4.448 -7.584 1.00 64.42 C ATOM 0 H MET A 97 -21.152 -5.363 -4.246 1.00 3.41 H new ATOM 0 HA MET A 97 -21.522 -7.538 -6.243 1.00 55.03 H new ATOM 0 HB2 MET A 97 -20.694 -5.294 -6.977 1.00 73.21 H new ATOM 0 HB3 MET A 97 -19.365 -5.429 -5.843 1.00 73.21 H new ATOM 0 HG2 MET A 97 -18.384 -7.248 -7.088 1.00 13.12 H new ATOM 0 HG3 MET A 97 -19.796 -7.383 -8.118 1.00 13.12 H new ATOM 0 HE1 MET A 97 -16.899 -3.751 -8.157 1.00 64.42 H new ATOM 0 HE2 MET A 97 -18.186 -3.890 -6.937 1.00 64.42 H new ATOM 0 HE3 MET A 97 -16.864 -5.081 -6.975 1.00 64.42 H new ATOM 1441 N ASP A 98 -20.317 -7.926 -3.447 1.00 62.44 N ATOM 1442 CA ASP A 98 -19.615 -8.740 -2.430 1.00 30.31 C ATOM 1443 C ASP A 98 -19.189 -10.105 -2.892 1.00 5.44 C ATOM 1444 O ASP A 98 -18.020 -10.429 -2.811 1.00 31.22 O ATOM 1445 CB ASP A 98 -20.439 -8.878 -1.119 1.00 41.10 C ATOM 1446 CG ASP A 98 -21.639 -9.819 -1.186 1.00 3.50 C ATOM 1447 OD1 ASP A 98 -22.587 -9.552 -1.939 1.00 24.44 O ATOM 1448 OD2 ASP A 98 -21.634 -10.842 -0.451 1.00 2.24 O ATOM 0 H ASP A 98 -21.072 -7.367 -3.049 1.00 62.44 H new ATOM 0 HA ASP A 98 -18.703 -8.175 -2.238 1.00 30.31 H new ATOM 0 HB2 ASP A 98 -19.773 -9.224 -0.328 1.00 41.10 H new ATOM 0 HB3 ASP A 98 -20.792 -7.889 -0.828 1.00 41.10 H new ATOM 1453 N GLU A 99 -20.102 -10.901 -3.347 1.00 63.43 N ATOM 1454 CA GLU A 99 -19.800 -12.220 -3.693 1.00 42.42 C ATOM 1455 C GLU A 99 -19.878 -12.377 -5.204 1.00 14.12 C ATOM 1456 O GLU A 99 -20.927 -12.680 -5.780 1.00 41.12 O ATOM 1457 CB GLU A 99 -20.771 -13.108 -2.938 1.00 63.35 C ATOM 1458 CG GLU A 99 -20.495 -14.572 -2.930 1.00 74.33 C ATOM 1459 CD GLU A 99 -21.442 -15.264 -1.992 1.00 64.21 C ATOM 1460 OE1 GLU A 99 -22.594 -15.571 -2.396 1.00 63.10 O ATOM 1461 OE2 GLU A 99 -21.071 -15.476 -0.820 1.00 74.41 O ATOM 0 H GLU A 99 -21.078 -10.637 -3.484 1.00 63.43 H new ATOM 0 HA GLU A 99 -18.785 -12.506 -3.416 1.00 42.42 H new ATOM 0 HB2 GLU A 99 -20.806 -12.766 -1.904 1.00 63.35 H new ATOM 0 HB3 GLU A 99 -21.765 -12.955 -3.358 1.00 63.35 H new ATOM 0 HG2 GLU A 99 -20.604 -14.977 -3.936 1.00 74.33 H new ATOM 0 HG3 GLU A 99 -19.465 -14.755 -2.623 1.00 74.33 H new ATOM 1468 N THR A 100 -18.794 -12.051 -5.818 1.00 70.04 N ATOM 1469 CA THR A 100 -18.659 -12.139 -7.250 1.00 62.10 C ATOM 1470 C THR A 100 -17.416 -12.880 -7.651 1.00 54.42 C ATOM 1471 O THR A 100 -16.534 -13.128 -6.829 1.00 14.42 O ATOM 1472 CB THR A 100 -18.733 -10.760 -7.956 1.00 30.21 C ATOM 1473 OG1 THR A 100 -17.847 -9.822 -7.335 1.00 65.43 O ATOM 1474 CG2 THR A 100 -20.157 -10.221 -7.968 1.00 15.42 C ATOM 0 H THR A 100 -17.959 -11.710 -5.343 1.00 70.04 H new ATOM 0 HA THR A 100 -19.521 -12.713 -7.591 1.00 62.10 H new ATOM 0 HB THR A 100 -18.418 -10.901 -8.990 1.00 30.21 H new ATOM 0 HG1 THR A 100 -18.257 -9.480 -6.513 1.00 65.43 H new ATOM 0 HG21 THR A 100 -20.176 -9.253 -8.470 1.00 15.42 H new ATOM 0 HG22 THR A 100 -20.805 -10.918 -8.499 1.00 15.42 H new ATOM 0 HG23 THR A 100 -20.511 -10.105 -6.944 1.00 15.42 H new ATOM 1482 N VAL A 101 -17.342 -13.226 -8.901 1.00 43.12 N ATOM 1483 CA VAL A 101 -16.238 -13.948 -9.415 1.00 42.15 C ATOM 1484 C VAL A 101 -15.439 -13.040 -10.342 1.00 74.21 C ATOM 1485 O VAL A 101 -15.868 -12.696 -11.441 1.00 35.44 O ATOM 1486 CB VAL A 101 -16.685 -15.283 -10.095 1.00 62.11 C ATOM 1487 CG1 VAL A 101 -17.726 -15.054 -11.181 1.00 14.25 C ATOM 1488 CG2 VAL A 101 -15.496 -16.048 -10.637 1.00 54.33 C ATOM 0 H VAL A 101 -18.059 -13.008 -9.593 1.00 43.12 H new ATOM 0 HA VAL A 101 -15.586 -14.251 -8.596 1.00 42.15 H new ATOM 0 HB VAL A 101 -17.155 -15.890 -9.321 1.00 62.11 H new ATOM 0 HG11 VAL A 101 -18.006 -16.010 -11.624 1.00 14.25 H new ATOM 0 HG12 VAL A 101 -18.608 -14.584 -10.746 1.00 14.25 H new ATOM 0 HG13 VAL A 101 -17.311 -14.404 -11.952 1.00 14.25 H new ATOM 0 HG21 VAL A 101 -15.839 -16.971 -11.104 1.00 54.33 H new ATOM 0 HG22 VAL A 101 -14.978 -15.438 -11.377 1.00 54.33 H new ATOM 0 HG23 VAL A 101 -14.814 -16.286 -9.821 1.00 54.33 H new ATOM 1498 N PHE A 102 -14.317 -12.619 -9.863 1.00 22.21 N ATOM 1499 CA PHE A 102 -13.471 -11.709 -10.565 1.00 73.44 C ATOM 1500 C PHE A 102 -12.284 -12.472 -11.099 1.00 52.01 C ATOM 1501 O PHE A 102 -11.610 -13.176 -10.348 1.00 52.12 O ATOM 1502 CB PHE A 102 -13.015 -10.590 -9.605 1.00 1.15 C ATOM 1503 CG PHE A 102 -12.163 -9.511 -10.230 1.00 13.40 C ATOM 1504 CD1 PHE A 102 -12.749 -8.410 -10.824 1.00 45.32 C ATOM 1505 CD2 PHE A 102 -10.781 -9.598 -10.210 1.00 70.44 C ATOM 1506 CE1 PHE A 102 -11.974 -7.417 -11.393 1.00 32.22 C ATOM 1507 CE2 PHE A 102 -10.003 -8.607 -10.777 1.00 24.21 C ATOM 1508 CZ PHE A 102 -10.601 -7.515 -11.368 1.00 12.15 C ATOM 0 H PHE A 102 -13.953 -12.903 -8.953 1.00 22.21 H new ATOM 0 HA PHE A 102 -14.007 -11.251 -11.397 1.00 73.44 H new ATOM 0 HB2 PHE A 102 -13.899 -10.125 -9.169 1.00 1.15 H new ATOM 0 HB3 PHE A 102 -12.456 -11.042 -8.786 1.00 1.15 H new ATOM 0 HD1 PHE A 102 -13.825 -8.324 -10.844 1.00 45.32 H new ATOM 0 HD2 PHE A 102 -10.306 -10.450 -9.746 1.00 70.44 H new ATOM 0 HE1 PHE A 102 -12.446 -6.564 -11.857 1.00 32.22 H new ATOM 0 HE2 PHE A 102 -8.926 -8.688 -10.757 1.00 24.21 H new ATOM 0 HZ PHE A 102 -9.994 -6.739 -11.810 1.00 12.15 H new ATOM 1518 N ARG A 103 -12.053 -12.354 -12.393 1.00 62.24 N ATOM 1519 CA ARG A 103 -10.943 -12.990 -13.103 1.00 22.51 C ATOM 1520 C ARG A 103 -10.891 -14.521 -12.819 1.00 53.31 C ATOM 1521 O ARG A 103 -9.821 -15.149 -12.809 1.00 70.24 O ATOM 1522 CB ARG A 103 -9.660 -12.290 -12.678 1.00 72.14 C ATOM 1523 CG ARG A 103 -8.527 -12.437 -13.653 1.00 63.13 C ATOM 1524 CD ARG A 103 -7.322 -11.688 -13.167 1.00 62.11 C ATOM 1525 NE ARG A 103 -6.259 -11.673 -14.155 1.00 32.04 N ATOM 1526 CZ ARG A 103 -5.157 -12.398 -14.081 1.00 13.45 C ATOM 1527 NH1 ARG A 103 -5.064 -13.373 -13.178 1.00 43.13 N ATOM 1528 NH2 ARG A 103 -4.177 -12.203 -14.947 1.00 54.32 N ATOM 0 H ARG A 103 -12.648 -11.796 -13.005 1.00 62.24 H new ATOM 0 HA ARG A 103 -11.077 -12.890 -14.180 1.00 22.51 H new ATOM 0 HB2 ARG A 103 -9.868 -11.229 -12.537 1.00 72.14 H new ATOM 0 HB3 ARG A 103 -9.347 -12.685 -11.712 1.00 72.14 H new ATOM 0 HG2 ARG A 103 -8.282 -13.491 -13.780 1.00 63.13 H new ATOM 0 HG3 ARG A 103 -8.828 -12.060 -14.630 1.00 63.13 H new ATOM 0 HD2 ARG A 103 -7.605 -10.664 -12.923 1.00 62.11 H new ATOM 0 HD3 ARG A 103 -6.957 -12.146 -12.248 1.00 62.11 H new ATOM 0 HE ARG A 103 -6.370 -11.060 -14.963 1.00 32.04 H new ATOM 0 HH11 ARG A 103 -5.843 -13.558 -12.546 1.00 43.13 H new ATOM 0 HH12 ARG A 103 -4.214 -13.934 -13.119 1.00 43.13 H new ATOM 0 HH21 ARG A 103 -4.272 -11.492 -15.673 1.00 54.32 H new ATOM 0 HH22 ARG A 103 -3.326 -12.763 -14.889 1.00 54.32 H new ATOM 1542 N GLY A 104 -12.066 -15.097 -12.632 1.00 24.44 N ATOM 1543 CA GLY A 104 -12.199 -16.529 -12.431 1.00 51.32 C ATOM 1544 C GLY A 104 -12.192 -16.962 -10.963 1.00 60.40 C ATOM 1545 O GLY A 104 -12.406 -18.143 -10.663 1.00 44.31 O ATOM 0 H GLY A 104 -12.950 -14.588 -12.615 1.00 24.44 H new ATOM 0 HA2 GLY A 104 -13.128 -16.864 -12.892 1.00 51.32 H new ATOM 0 HA3 GLY A 104 -11.385 -17.034 -12.951 1.00 51.32 H new ATOM 1549 N ARG A 105 -11.971 -16.034 -10.054 1.00 35.54 N ATOM 1550 CA ARG A 105 -11.915 -16.355 -8.624 1.00 33.14 C ATOM 1551 C ARG A 105 -12.963 -15.550 -7.830 1.00 22.13 C ATOM 1552 O ARG A 105 -13.163 -14.367 -8.086 1.00 33.00 O ATOM 1553 CB ARG A 105 -10.492 -16.113 -8.079 1.00 14.10 C ATOM 1554 CG ARG A 105 -9.978 -14.703 -8.330 1.00 54.14 C ATOM 1555 CD ARG A 105 -8.599 -14.461 -7.760 1.00 52.02 C ATOM 1556 NE ARG A 105 -7.560 -15.334 -8.317 1.00 31.55 N ATOM 1557 CZ ARG A 105 -6.284 -14.963 -8.475 1.00 2.14 C ATOM 1558 NH1 ARG A 105 -5.938 -13.686 -8.323 1.00 15.22 N ATOM 1559 NH2 ARG A 105 -5.370 -15.850 -8.831 1.00 64.43 N ATOM 0 H ARG A 105 -11.826 -15.048 -10.271 1.00 35.54 H new ATOM 0 HA ARG A 105 -12.155 -17.411 -8.498 1.00 33.14 H new ATOM 0 HB2 ARG A 105 -10.484 -16.309 -7.007 1.00 14.10 H new ATOM 0 HB3 ARG A 105 -9.809 -16.827 -8.539 1.00 14.10 H new ATOM 0 HG2 ARG A 105 -9.958 -14.516 -9.404 1.00 54.14 H new ATOM 0 HG3 ARG A 105 -10.675 -13.987 -7.895 1.00 54.14 H new ATOM 0 HD2 ARG A 105 -8.321 -13.422 -7.939 1.00 52.02 H new ATOM 0 HD3 ARG A 105 -8.635 -14.600 -6.679 1.00 52.02 H new ATOM 0 HE ARG A 105 -7.825 -16.277 -8.600 1.00 31.55 H new ATOM 0 HH11 ARG A 105 -6.646 -12.991 -8.086 1.00 15.22 H new ATOM 0 HH12 ARG A 105 -4.965 -13.403 -8.443 1.00 15.22 H new ATOM 0 HH21 ARG A 105 -5.636 -16.822 -8.987 1.00 64.43 H new ATOM 0 HH22 ARG A 105 -4.399 -15.562 -8.950 1.00 64.43 H new ATOM 1573 N THR A 106 -13.623 -16.191 -6.886 1.00 45.41 N ATOM 1574 CA THR A 106 -14.660 -15.533 -6.098 1.00 22.44 C ATOM 1575 C THR A 106 -14.036 -14.604 -5.043 1.00 53.25 C ATOM 1576 O THR A 106 -13.229 -15.046 -4.199 1.00 40.01 O ATOM 1577 CB THR A 106 -15.590 -16.568 -5.416 1.00 24.24 C ATOM 1578 OG1 THR A 106 -16.124 -17.453 -6.417 1.00 53.44 O ATOM 1579 CG2 THR A 106 -16.748 -15.877 -4.687 1.00 3.24 C ATOM 0 H THR A 106 -13.463 -17.168 -6.642 1.00 45.41 H new ATOM 0 HA THR A 106 -15.262 -14.933 -6.781 1.00 22.44 H new ATOM 0 HB THR A 106 -15.006 -17.126 -4.684 1.00 24.24 H new ATOM 0 HG1 THR A 106 -16.712 -18.111 -5.991 1.00 53.44 H new ATOM 0 HG21 THR A 106 -17.383 -16.629 -4.218 1.00 3.24 H new ATOM 0 HG22 THR A 106 -16.350 -15.210 -3.922 1.00 3.24 H new ATOM 0 HG23 THR A 106 -17.335 -15.300 -5.401 1.00 3.24 H new ATOM 1587 N ILE A 107 -14.396 -13.340 -5.105 1.00 72.03 N ATOM 1588 CA ILE A 107 -13.886 -12.339 -4.188 1.00 55.45 C ATOM 1589 C ILE A 107 -14.905 -12.016 -3.108 1.00 73.52 C ATOM 1590 O ILE A 107 -16.039 -12.491 -3.139 1.00 34.22 O ATOM 1591 CB ILE A 107 -13.537 -10.993 -4.922 1.00 54.12 C ATOM 1592 CG1 ILE A 107 -14.816 -10.353 -5.560 1.00 54.41 C ATOM 1593 CG2 ILE A 107 -12.453 -11.225 -5.972 1.00 42.24 C ATOM 1594 CD1 ILE A 107 -14.612 -8.967 -6.196 1.00 62.12 C ATOM 0 H ILE A 107 -15.053 -12.975 -5.795 1.00 72.03 H new ATOM 0 HA ILE A 107 -12.984 -12.766 -3.750 1.00 55.45 H new ATOM 0 HB ILE A 107 -13.151 -10.289 -4.184 1.00 54.12 H new ATOM 0 HG12 ILE A 107 -15.199 -11.031 -6.322 1.00 54.41 H new ATOM 0 HG13 ILE A 107 -15.584 -10.272 -4.790 1.00 54.41 H new ATOM 0 HG21 ILE A 107 -12.223 -10.284 -6.471 1.00 42.24 H new ATOM 0 HG22 ILE A 107 -11.555 -11.609 -5.489 1.00 42.24 H new ATOM 0 HG23 ILE A 107 -12.807 -11.948 -6.707 1.00 42.24 H new ATOM 0 HD11 ILE A 107 -15.557 -8.613 -6.608 1.00 62.12 H new ATOM 0 HD12 ILE A 107 -14.262 -8.267 -5.438 1.00 62.12 H new ATOM 0 HD13 ILE A 107 -13.872 -9.038 -6.993 1.00 62.12 H new ATOM 1606 N LYS A 108 -14.464 -11.247 -2.145 1.00 41.20 N ATOM 1607 CA LYS A 108 -15.304 -10.754 -1.060 1.00 43.21 C ATOM 1608 C LYS A 108 -15.212 -9.272 -1.004 1.00 23.33 C ATOM 1609 O LYS A 108 -14.115 -8.745 -1.030 1.00 2.23 O ATOM 1610 CB LYS A 108 -14.860 -11.287 0.316 1.00 12.24 C ATOM 1611 CG LYS A 108 -15.578 -12.491 0.851 1.00 1.04 C ATOM 1612 CD LYS A 108 -17.094 -12.281 0.997 1.00 12.35 C ATOM 1613 CE LYS A 108 -17.493 -11.379 2.166 1.00 65.12 C ATOM 1614 NZ LYS A 108 -18.967 -11.342 2.333 1.00 72.51 N ATOM 0 H LYS A 108 -13.495 -10.935 -2.083 1.00 41.20 H new ATOM 0 HA LYS A 108 -16.318 -11.097 -1.264 1.00 43.21 H new ATOM 0 HB2 LYS A 108 -13.798 -11.525 0.259 1.00 12.24 H new ATOM 0 HB3 LYS A 108 -14.967 -10.480 1.041 1.00 12.24 H new ATOM 0 HG2 LYS A 108 -15.398 -13.337 0.188 1.00 1.04 H new ATOM 0 HG3 LYS A 108 -15.159 -12.753 1.823 1.00 1.04 H new ATOM 0 HD2 LYS A 108 -17.480 -11.851 0.073 1.00 12.35 H new ATOM 0 HD3 LYS A 108 -17.573 -13.252 1.122 1.00 12.35 H new ATOM 0 HE2 LYS A 108 -17.029 -11.741 3.083 1.00 65.12 H new ATOM 0 HE3 LYS A 108 -17.118 -10.370 1.995 1.00 65.12 H new ATOM 0 HZ1 LYS A 108 -19.210 -10.723 3.133 1.00 72.51 H new ATOM 0 HZ2 LYS A 108 -19.406 -10.974 1.465 1.00 72.51 H new ATOM 0 HZ3 LYS A 108 -19.320 -12.303 2.519 1.00 72.51 H new ATOM 1628 N VAL A 109 -16.341 -8.604 -0.941 1.00 70.02 N ATOM 1629 CA VAL A 109 -16.363 -7.167 -0.758 1.00 53.33 C ATOM 1630 C VAL A 109 -17.276 -6.846 0.427 1.00 42.40 C ATOM 1631 O VAL A 109 -18.474 -7.128 0.385 1.00 63.22 O ATOM 1632 CB VAL A 109 -16.868 -6.388 -2.017 1.00 2.24 C ATOM 1633 CG1 VAL A 109 -16.710 -4.888 -1.828 1.00 2.34 C ATOM 1634 CG2 VAL A 109 -16.167 -6.842 -3.286 1.00 41.11 C ATOM 0 H VAL A 109 -17.263 -9.034 -1.014 1.00 70.02 H new ATOM 0 HA VAL A 109 -15.337 -6.845 -0.580 1.00 53.33 H new ATOM 0 HB VAL A 109 -17.928 -6.615 -2.129 1.00 2.24 H new ATOM 0 HG11 VAL A 109 -17.068 -4.369 -2.717 1.00 2.34 H new ATOM 0 HG12 VAL A 109 -17.290 -4.567 -0.963 1.00 2.34 H new ATOM 0 HG13 VAL A 109 -15.658 -4.650 -1.668 1.00 2.34 H new ATOM 0 HG21 VAL A 109 -16.548 -6.275 -4.135 1.00 41.11 H new ATOM 0 HG22 VAL A 109 -15.094 -6.674 -3.189 1.00 41.11 H new ATOM 0 HG23 VAL A 109 -16.355 -7.904 -3.445 1.00 41.11 H new ATOM 1644 N LEU A 110 -16.735 -6.292 1.474 1.00 3.31 N ATOM 1645 CA LEU A 110 -17.541 -5.914 2.619 1.00 35.43 C ATOM 1646 C LEU A 110 -16.909 -4.675 3.212 1.00 23.45 C ATOM 1647 O LEU A 110 -15.726 -4.458 2.974 1.00 4.04 O ATOM 1648 CB LEU A 110 -17.771 -7.092 3.660 1.00 23.24 C ATOM 1649 CG LEU A 110 -16.635 -7.588 4.609 1.00 60.24 C ATOM 1650 CD1 LEU A 110 -15.381 -7.952 3.872 1.00 23.31 C ATOM 1651 CD2 LEU A 110 -16.359 -6.610 5.740 1.00 23.35 C ATOM 0 H LEU A 110 -15.740 -6.088 1.567 1.00 3.31 H new ATOM 0 HA LEU A 110 -18.559 -5.690 2.302 1.00 35.43 H new ATOM 0 HB2 LEU A 110 -18.604 -6.792 4.296 1.00 23.24 H new ATOM 0 HB3 LEU A 110 -18.103 -7.958 3.087 1.00 23.24 H new ATOM 0 HG LEU A 110 -17.006 -8.506 5.064 1.00 60.24 H new ATOM 0 HD11 LEU A 110 -14.626 -8.290 4.582 1.00 23.31 H new ATOM 0 HD12 LEU A 110 -15.595 -8.751 3.163 1.00 23.31 H new ATOM 0 HD13 LEU A 110 -15.009 -7.080 3.334 1.00 23.31 H new ATOM 0 HD21 LEU A 110 -15.561 -7.000 6.372 1.00 23.35 H new ATOM 0 HD22 LEU A 110 -16.055 -5.649 5.324 1.00 23.35 H new ATOM 0 HD23 LEU A 110 -17.262 -6.478 6.336 1.00 23.35 H new ATOM 1663 N PRO A 111 -17.649 -3.837 3.951 1.00 61.43 N ATOM 1664 CA PRO A 111 -17.110 -2.573 4.459 1.00 32.44 C ATOM 1665 C PRO A 111 -15.949 -2.756 5.418 1.00 11.24 C ATOM 1666 O PRO A 111 -16.039 -3.521 6.389 1.00 40.13 O ATOM 1667 CB PRO A 111 -18.301 -1.943 5.204 1.00 62.34 C ATOM 1668 CG PRO A 111 -19.492 -2.645 4.670 1.00 40.52 C ATOM 1669 CD PRO A 111 -19.042 -4.035 4.372 1.00 63.10 C ATOM 0 HA PRO A 111 -16.712 -1.966 3.646 1.00 32.44 H new ATOM 0 HB2 PRO A 111 -18.211 -2.079 6.282 1.00 62.34 H new ATOM 0 HB3 PRO A 111 -18.359 -0.870 5.022 1.00 62.34 H new ATOM 0 HG2 PRO A 111 -20.305 -2.644 5.396 1.00 40.52 H new ATOM 0 HG3 PRO A 111 -19.866 -2.154 3.772 1.00 40.52 H new ATOM 0 HD2 PRO A 111 -19.113 -4.681 5.247 1.00 63.10 H new ATOM 0 HD3 PRO A 111 -19.641 -4.496 3.587 1.00 63.10 H new ATOM 1677 N LYS A 112 -14.870 -2.049 5.157 1.00 71.12 N ATOM 1678 CA LYS A 112 -13.769 -2.027 6.058 1.00 25.33 C ATOM 1679 C LYS A 112 -14.089 -0.878 6.958 1.00 15.10 C ATOM 1680 O LYS A 112 -13.897 0.281 6.619 1.00 72.12 O ATOM 1681 CB LYS A 112 -12.415 -1.868 5.318 1.00 25.11 C ATOM 1682 CG LYS A 112 -11.140 -2.063 6.186 1.00 63.42 C ATOM 1683 CD LYS A 112 -10.887 -0.948 7.207 1.00 22.14 C ATOM 1684 CE LYS A 112 -10.596 0.378 6.520 1.00 23.35 C ATOM 1685 NZ LYS A 112 -10.294 1.465 7.489 1.00 65.44 N ATOM 0 H LYS A 112 -14.745 -1.482 4.318 1.00 71.12 H new ATOM 0 HA LYS A 112 -13.644 -2.958 6.611 1.00 25.33 H new ATOM 0 HB2 LYS A 112 -12.385 -2.585 4.497 1.00 25.11 H new ATOM 0 HB3 LYS A 112 -12.380 -0.873 4.874 1.00 25.11 H new ATOM 0 HG2 LYS A 112 -11.219 -3.012 6.716 1.00 63.42 H new ATOM 0 HG3 LYS A 112 -10.275 -2.137 5.527 1.00 63.42 H new ATOM 0 HD2 LYS A 112 -11.757 -0.841 7.854 1.00 22.14 H new ATOM 0 HD3 LYS A 112 -10.047 -1.221 7.845 1.00 22.14 H new ATOM 0 HE2 LYS A 112 -9.752 0.255 5.842 1.00 23.35 H new ATOM 0 HE3 LYS A 112 -11.454 0.665 5.912 1.00 23.35 H new ATOM 0 HZ1 LYS A 112 -9.845 2.260 6.990 1.00 65.44 H new ATOM 0 HZ2 LYS A 112 -11.177 1.789 7.933 1.00 65.44 H new ATOM 0 HZ3 LYS A 112 -9.649 1.107 8.222 1.00 65.44 H new ATOM 2166 N GLY B 21 -8.228 -6.139 8.592 1.00 34.34 N ATOM 2167 CA GLY B 21 -9.536 -6.714 8.715 1.00 3.34 C ATOM 2168 C GLY B 21 -9.449 -8.210 8.913 1.00 25.34 C ATOM 2169 O GLY B 21 -9.362 -8.674 10.056 1.00 55.32 O ATOM 0 HA2 GLY B 21 -10.059 -6.261 9.557 1.00 3.34 H new ATOM 0 HA3 GLY B 21 -10.120 -6.494 7.821 1.00 3.34 H new ATOM 2173 N PRO B 22 -9.480 -9.003 7.809 1.00 71.12 N ATOM 2174 CA PRO B 22 -9.336 -10.462 7.858 1.00 33.22 C ATOM 2175 C PRO B 22 -8.203 -10.936 8.813 1.00 75.54 C ATOM 2176 O PRO B 22 -8.456 -11.785 9.671 1.00 3.33 O ATOM 2177 CB PRO B 22 -9.090 -10.885 6.399 1.00 24.14 C ATOM 2178 CG PRO B 22 -9.087 -9.619 5.603 1.00 4.13 C ATOM 2179 CD PRO B 22 -9.706 -8.538 6.445 1.00 2.54 C ATOM 0 HA PRO B 22 -10.228 -10.931 8.273 1.00 33.22 H new ATOM 0 HB2 PRO B 22 -8.141 -11.412 6.299 1.00 24.14 H new ATOM 0 HB3 PRO B 22 -9.869 -11.563 6.052 1.00 24.14 H new ATOM 0 HG2 PRO B 22 -8.069 -9.348 5.323 1.00 4.13 H new ATOM 0 HG3 PRO B 22 -9.648 -9.749 4.678 1.00 4.13 H new ATOM 0 HD2 PRO B 22 -9.236 -7.571 6.267 1.00 2.54 H new ATOM 0 HD3 PRO B 22 -10.768 -8.420 6.231 1.00 2.54 H new ATOM 2187 N PRO B 23 -6.931 -10.413 8.703 1.00 53.42 N ATOM 2188 CA PRO B 23 -5.931 -10.701 9.697 1.00 75.44 C ATOM 2189 C PRO B 23 -6.289 -9.945 10.958 1.00 51.11 C ATOM 2190 O PRO B 23 -6.461 -8.716 10.942 1.00 71.33 O ATOM 2191 CB PRO B 23 -4.618 -10.159 9.103 1.00 64.03 C ATOM 2192 CG PRO B 23 -4.933 -9.832 7.695 1.00 71.23 C ATOM 2193 CD PRO B 23 -6.392 -9.549 7.651 1.00 10.34 C ATOM 0 HA PRO B 23 -5.852 -11.760 9.942 1.00 75.44 H new ATOM 0 HB2 PRO B 23 -4.276 -9.277 9.645 1.00 64.03 H new ATOM 0 HB3 PRO B 23 -3.822 -10.901 9.166 1.00 64.03 H new ATOM 0 HG2 PRO B 23 -4.359 -8.969 7.358 1.00 71.23 H new ATOM 0 HG3 PRO B 23 -4.677 -10.662 7.036 1.00 71.23 H new ATOM 0 HD2 PRO B 23 -6.604 -8.498 7.845 1.00 10.34 H new ATOM 0 HD3 PRO B 23 -6.819 -9.786 6.677 1.00 10.34 H new ATOM 2201 N GLN B 24 -6.420 -10.669 12.015 1.00 41.30 N ATOM 2202 CA GLN B 24 -6.808 -10.114 13.288 1.00 32.25 C ATOM 2203 C GLN B 24 -5.650 -9.335 13.883 1.00 52.42 C ATOM 2204 O GLN B 24 -4.507 -9.526 13.457 1.00 65.00 O ATOM 2205 CB GLN B 24 -7.275 -11.220 14.275 1.00 13.11 C ATOM 2206 CG GLN B 24 -6.229 -12.287 14.630 1.00 73.12 C ATOM 2207 CD GLN B 24 -5.924 -13.249 13.504 1.00 40.11 C ATOM 2208 OE1 GLN B 24 -5.028 -13.019 12.689 1.00 61.40 O ATOM 2209 NE2 GLN B 24 -6.659 -14.321 13.445 1.00 55.42 N ATOM 0 H GLN B 24 -6.261 -11.676 12.032 1.00 41.30 H new ATOM 0 HA GLN B 24 -7.651 -9.443 13.122 1.00 32.25 H new ATOM 0 HB2 GLN B 24 -7.605 -10.741 15.197 1.00 13.11 H new ATOM 0 HB3 GLN B 24 -8.144 -11.719 13.846 1.00 13.11 H new ATOM 0 HG2 GLN B 24 -5.306 -11.791 14.930 1.00 73.12 H new ATOM 0 HG3 GLN B 24 -6.581 -12.853 15.492 1.00 73.12 H new ATOM 0 HE21 GLN B 24 -7.391 -14.476 14.138 1.00 55.42 H new ATOM 0 HE22 GLN B 24 -6.503 -15.006 12.706 1.00 55.42 H new ATOM 2218 N PRO B 25 -5.922 -8.415 14.846 1.00 32.42 N ATOM 2219 CA PRO B 25 -4.879 -7.684 15.538 1.00 35.32 C ATOM 2220 C PRO B 25 -3.859 -8.621 16.151 1.00 75.01 C ATOM 2221 O PRO B 25 -4.102 -9.276 17.182 1.00 62.35 O ATOM 2222 CB PRO B 25 -5.611 -6.921 16.630 1.00 52.51 C ATOM 2223 CG PRO B 25 -6.987 -6.774 16.118 1.00 2.24 C ATOM 2224 CD PRO B 25 -7.263 -7.997 15.294 1.00 2.11 C ATOM 0 HA PRO B 25 -4.326 -7.033 14.861 1.00 35.32 H new ATOM 0 HB2 PRO B 25 -5.595 -7.466 17.574 1.00 52.51 H new ATOM 0 HB3 PRO B 25 -5.150 -5.951 16.814 1.00 52.51 H new ATOM 0 HG2 PRO B 25 -7.700 -6.689 16.938 1.00 2.24 H new ATOM 0 HG3 PRO B 25 -7.084 -5.870 15.517 1.00 2.24 H new ATOM 0 HD2 PRO B 25 -7.752 -8.775 15.880 1.00 2.11 H new ATOM 0 HD3 PRO B 25 -7.917 -7.775 14.451 1.00 2.11 H new ATOM 2232 N LEU B 26 -2.769 -8.730 15.475 1.00 65.44 N ATOM 2233 CA LEU B 26 -1.675 -9.545 15.893 1.00 1.34 C ATOM 2234 C LEU B 26 -0.946 -8.931 17.075 1.00 70.13 C ATOM 2235 O LEU B 26 -1.226 -7.780 17.463 1.00 65.04 O ATOM 2236 CB LEU B 26 -0.733 -9.995 14.707 1.00 35.13 C ATOM 2237 CG LEU B 26 -0.132 -8.941 13.707 1.00 3.53 C ATOM 2238 CD1 LEU B 26 -1.191 -8.247 12.853 1.00 75.13 C ATOM 2239 CD2 LEU B 26 0.723 -7.923 14.415 1.00 73.21 C ATOM 0 H LEU B 26 -2.606 -8.244 14.593 1.00 65.44 H new ATOM 0 HA LEU B 26 -2.096 -10.484 16.253 1.00 1.34 H new ATOM 0 HB2 LEU B 26 0.107 -10.529 15.151 1.00 35.13 H new ATOM 0 HB3 LEU B 26 -1.291 -10.718 14.112 1.00 35.13 H new ATOM 0 HG LEU B 26 0.500 -9.513 13.027 1.00 3.53 H new ATOM 0 HD11 LEU B 26 -0.709 -7.533 12.185 1.00 75.13 H new ATOM 0 HD12 LEU B 26 -1.727 -8.990 12.263 1.00 75.13 H new ATOM 0 HD13 LEU B 26 -1.893 -7.722 13.500 1.00 75.13 H new ATOM 0 HD21 LEU B 26 1.119 -7.213 13.689 1.00 73.21 H new ATOM 0 HD22 LEU B 26 0.121 -7.391 15.152 1.00 73.21 H new ATOM 0 HD23 LEU B 26 1.548 -8.427 14.917 1.00 73.21 H new ATOM 2251 N SER B 27 -0.034 -9.669 17.637 1.00 60.23 N ATOM 2252 CA SER B 27 0.629 -9.259 18.837 1.00 42.30 C ATOM 2253 C SER B 27 1.479 -8.008 18.630 1.00 52.43 C ATOM 2254 O SER B 27 2.041 -7.773 17.549 1.00 50.44 O ATOM 2255 CB SER B 27 1.470 -10.410 19.395 1.00 22.22 C ATOM 2256 OG SER B 27 2.092 -10.072 20.629 1.00 41.01 O ATOM 0 H SER B 27 0.270 -10.573 17.275 1.00 60.23 H new ATOM 0 HA SER B 27 -0.139 -8.998 19.565 1.00 42.30 H new ATOM 0 HB2 SER B 27 0.836 -11.285 19.537 1.00 22.22 H new ATOM 0 HB3 SER B 27 2.234 -10.685 18.668 1.00 22.22 H new ATOM 0 HG SER B 27 2.617 -10.835 20.950 1.00 41.01 H new ATOM 2262 N ALA B 28 1.519 -7.213 19.677 1.00 0.04 N ATOM 2263 CA ALA B 28 2.311 -6.000 19.762 1.00 52.43 C ATOM 2264 C ALA B 28 3.752 -6.234 19.310 1.00 22.54 C ATOM 2265 O ALA B 28 4.321 -5.418 18.577 1.00 10.01 O ATOM 2266 CB ALA B 28 2.277 -5.468 21.185 1.00 53.03 C ATOM 0 H ALA B 28 0.982 -7.398 20.524 1.00 0.04 H new ATOM 0 HA ALA B 28 1.877 -5.261 19.088 1.00 52.43 H new ATOM 0 HB1 ALA B 28 2.872 -4.557 21.247 1.00 53.03 H new ATOM 0 HB2 ALA B 28 1.247 -5.249 21.467 1.00 53.03 H new ATOM 0 HB3 ALA B 28 2.687 -6.216 21.863 1.00 53.03 H new ATOM 2272 N GLU B 29 4.315 -7.355 19.696 1.00 11.12 N ATOM 2273 CA GLU B 29 5.683 -7.654 19.340 1.00 53.33 C ATOM 2274 C GLU B 29 5.858 -8.089 17.895 1.00 73.40 C ATOM 2275 O GLU B 29 6.902 -7.820 17.298 1.00 21.24 O ATOM 2276 CB GLU B 29 6.327 -8.573 20.331 1.00 61.52 C ATOM 2277 CG GLU B 29 6.432 -7.918 21.678 1.00 4.11 C ATOM 2278 CD GLU B 29 7.097 -8.779 22.697 1.00 43.11 C ATOM 2279 OE1 GLU B 29 8.335 -8.847 22.717 1.00 14.20 O ATOM 2280 OE2 GLU B 29 6.392 -9.414 23.496 1.00 32.54 O ATOM 0 H GLU B 29 3.850 -8.072 20.254 1.00 11.12 H new ATOM 0 HA GLU B 29 6.228 -6.712 19.398 1.00 53.33 H new ATOM 0 HB2 GLU B 29 5.746 -9.491 20.413 1.00 61.52 H new ATOM 0 HB3 GLU B 29 7.320 -8.855 19.980 1.00 61.52 H new ATOM 0 HG2 GLU B 29 6.989 -6.986 21.580 1.00 4.11 H new ATOM 0 HG3 GLU B 29 5.433 -7.657 22.027 1.00 4.11 H new ATOM 2287 N GLU B 30 4.838 -8.734 17.313 1.00 51.41 N ATOM 2288 CA GLU B 30 4.868 -9.022 15.876 1.00 74.33 C ATOM 2289 C GLU B 30 4.944 -7.738 15.101 1.00 64.04 C ATOM 2290 O GLU B 30 5.597 -7.667 14.067 1.00 61.34 O ATOM 2291 CB GLU B 30 3.660 -9.835 15.392 1.00 21.53 C ATOM 2292 CG GLU B 30 3.819 -11.341 15.446 1.00 31.34 C ATOM 2293 CD GLU B 30 4.055 -11.896 16.825 1.00 24.12 C ATOM 2294 OE1 GLU B 30 3.085 -12.136 17.532 1.00 33.11 O ATOM 2295 OE2 GLU B 30 5.209 -12.126 17.200 1.00 71.41 O ATOM 0 H GLU B 30 4.003 -9.058 17.801 1.00 51.41 H new ATOM 0 HA GLU B 30 5.754 -9.633 15.702 1.00 74.33 H new ATOM 0 HB2 GLU B 30 2.794 -9.557 15.993 1.00 21.53 H new ATOM 0 HB3 GLU B 30 3.440 -9.548 14.364 1.00 21.53 H new ATOM 0 HG2 GLU B 30 2.923 -11.803 15.031 1.00 31.34 H new ATOM 0 HG3 GLU B 30 4.652 -11.629 14.805 1.00 31.34 H new ATOM 2302 N LYS B 31 4.293 -6.709 15.624 1.00 34.22 N ATOM 2303 CA LYS B 31 4.280 -5.432 14.971 1.00 54.14 C ATOM 2304 C LYS B 31 5.669 -4.846 14.970 1.00 55.41 C ATOM 2305 O LYS B 31 6.166 -4.490 13.938 1.00 43.23 O ATOM 2306 CB LYS B 31 3.302 -4.471 15.627 1.00 5.45 C ATOM 2307 CG LYS B 31 1.897 -4.992 15.702 1.00 5.34 C ATOM 2308 CD LYS B 31 0.986 -4.002 16.366 1.00 11.13 C ATOM 2309 CE LYS B 31 -0.231 -4.685 16.926 1.00 10.01 C ATOM 2310 NZ LYS B 31 -1.124 -3.746 17.632 1.00 65.44 N ATOM 0 H LYS B 31 3.770 -6.745 16.499 1.00 34.22 H new ATOM 0 HA LYS B 31 3.947 -5.583 13.944 1.00 54.14 H new ATOM 0 HB2 LYS B 31 3.650 -4.246 16.635 1.00 5.45 H new ATOM 0 HB3 LYS B 31 3.302 -3.533 15.072 1.00 5.45 H new ATOM 0 HG2 LYS B 31 1.533 -5.209 14.698 1.00 5.34 H new ATOM 0 HG3 LYS B 31 1.884 -5.931 16.256 1.00 5.34 H new ATOM 0 HD2 LYS B 31 1.521 -3.489 17.166 1.00 11.13 H new ATOM 0 HD3 LYS B 31 0.683 -3.241 15.647 1.00 11.13 H new ATOM 0 HE2 LYS B 31 -0.780 -5.166 16.116 1.00 10.01 H new ATOM 0 HE3 LYS B 31 0.080 -5.473 17.612 1.00 10.01 H new ATOM 0 HZ1 LYS B 31 -1.949 -4.262 18.001 1.00 65.44 H new ATOM 0 HZ2 LYS B 31 -0.610 -3.305 18.421 1.00 65.44 H new ATOM 0 HZ3 LYS B 31 -1.444 -3.008 16.972 1.00 65.44 H new ATOM 2324 N LYS B 32 6.335 -4.797 16.137 1.00 75.35 N ATOM 2325 CA LYS B 32 7.694 -4.231 16.182 1.00 14.03 C ATOM 2326 C LYS B 32 8.668 -5.011 15.314 1.00 62.12 C ATOM 2327 O LYS B 32 9.630 -4.451 14.778 1.00 74.31 O ATOM 2328 CB LYS B 32 8.269 -4.065 17.621 1.00 42.24 C ATOM 2329 CG LYS B 32 7.907 -2.771 18.430 1.00 40.41 C ATOM 2330 CD LYS B 32 6.463 -2.659 18.981 1.00 21.44 C ATOM 2331 CE LYS B 32 5.395 -2.575 17.916 1.00 51.55 C ATOM 2332 NZ LYS B 32 5.619 -1.460 16.958 1.00 33.54 N ATOM 0 H LYS B 32 5.972 -5.129 17.030 1.00 75.35 H new ATOM 0 HA LYS B 32 7.583 -3.227 15.773 1.00 14.03 H new ATOM 0 HB2 LYS B 32 7.944 -4.924 18.208 1.00 42.24 H new ATOM 0 HB3 LYS B 32 9.355 -4.119 17.551 1.00 42.24 H new ATOM 0 HG2 LYS B 32 8.596 -2.695 19.271 1.00 40.41 H new ATOM 0 HG3 LYS B 32 8.091 -1.909 17.788 1.00 40.41 H new ATOM 0 HD2 LYS B 32 6.261 -3.523 19.614 1.00 21.44 H new ATOM 0 HD3 LYS B 32 6.397 -1.775 19.616 1.00 21.44 H new ATOM 0 HE2 LYS B 32 5.361 -3.517 17.368 1.00 51.55 H new ATOM 0 HE3 LYS B 32 4.423 -2.448 18.393 1.00 51.55 H new ATOM 0 HZ1 LYS B 32 4.708 -1.019 16.719 1.00 33.54 H new ATOM 0 HZ2 LYS B 32 6.244 -0.751 17.391 1.00 33.54 H new ATOM 0 HZ3 LYS B 32 6.062 -1.830 16.093 1.00 33.54 H new ATOM 2346 N GLU B 33 8.407 -6.287 15.172 1.00 71.33 N ATOM 2347 CA GLU B 33 9.227 -7.151 14.377 1.00 64.32 C ATOM 2348 C GLU B 33 9.050 -6.770 12.900 1.00 4.33 C ATOM 2349 O GLU B 33 10.010 -6.662 12.169 1.00 25.43 O ATOM 2350 CB GLU B 33 8.792 -8.585 14.631 1.00 3.52 C ATOM 2351 CG GLU B 33 9.789 -9.662 14.277 1.00 22.34 C ATOM 2352 CD GLU B 33 11.147 -9.484 14.900 1.00 20.22 C ATOM 2353 OE1 GLU B 33 11.261 -9.570 16.136 1.00 44.43 O ATOM 2354 OE2 GLU B 33 12.128 -9.284 14.157 1.00 2.35 O ATOM 0 H GLU B 33 7.613 -6.753 15.610 1.00 71.33 H new ATOM 0 HA GLU B 33 10.281 -7.051 14.636 1.00 64.32 H new ATOM 0 HB2 GLU B 33 8.543 -8.684 15.687 1.00 3.52 H new ATOM 0 HB3 GLU B 33 7.876 -8.769 14.069 1.00 3.52 H new ATOM 0 HG2 GLU B 33 9.386 -10.627 14.584 1.00 22.34 H new ATOM 0 HG3 GLU B 33 9.902 -9.693 13.193 1.00 22.34 H new ATOM 2361 N ILE B 34 7.807 -6.557 12.485 1.00 50.24 N ATOM 2362 CA ILE B 34 7.518 -6.134 11.114 1.00 50.43 C ATOM 2363 C ILE B 34 7.926 -4.677 10.847 1.00 71.52 C ATOM 2364 O ILE B 34 8.394 -4.361 9.759 1.00 22.24 O ATOM 2365 CB ILE B 34 6.077 -6.473 10.619 1.00 5.35 C ATOM 2366 CG1 ILE B 34 5.007 -5.859 11.526 1.00 42.15 C ATOM 2367 CG2 ILE B 34 5.905 -7.982 10.497 1.00 30.40 C ATOM 2368 CD1 ILE B 34 3.582 -6.286 11.208 1.00 64.31 C ATOM 0 H ILE B 34 6.982 -6.669 13.075 1.00 50.24 H new ATOM 0 HA ILE B 34 8.162 -6.753 10.490 1.00 50.43 H new ATOM 0 HB ILE B 34 5.944 -6.030 9.632 1.00 5.35 H new ATOM 0 HG12 ILE B 34 5.230 -6.125 12.559 1.00 42.15 H new ATOM 0 HG13 ILE B 34 5.070 -4.773 11.456 1.00 42.15 H new ATOM 0 HG21 ILE B 34 4.896 -8.206 10.151 1.00 30.40 H new ATOM 0 HG22 ILE B 34 6.629 -8.374 9.783 1.00 30.40 H new ATOM 0 HG23 ILE B 34 6.067 -8.446 11.470 1.00 30.40 H new ATOM 0 HD11 ILE B 34 2.894 -5.802 11.901 1.00 64.31 H new ATOM 0 HD12 ILE B 34 3.334 -5.995 10.187 1.00 64.31 H new ATOM 0 HD13 ILE B 34 3.496 -7.368 11.308 1.00 64.31 H new ATOM 2380 N ASP B 35 7.779 -3.800 11.864 1.00 73.15 N ATOM 2381 CA ASP B 35 8.181 -2.378 11.756 1.00 22.52 C ATOM 2382 C ASP B 35 9.668 -2.263 11.418 1.00 30.15 C ATOM 2383 O ASP B 35 10.068 -1.483 10.563 1.00 25.42 O ATOM 2384 CB ASP B 35 7.971 -1.584 13.094 1.00 24.54 C ATOM 2385 CG ASP B 35 6.540 -1.215 13.506 1.00 24.10 C ATOM 2386 OD1 ASP B 35 6.027 -0.211 13.032 1.00 22.33 O ATOM 2387 OD2 ASP B 35 5.981 -1.846 14.389 1.00 43.01 O ATOM 0 H ASP B 35 7.385 -4.051 12.771 1.00 73.15 H new ATOM 0 HA ASP B 35 7.550 -1.957 10.973 1.00 22.52 H new ATOM 0 HB2 ASP B 35 8.408 -2.172 13.901 1.00 24.54 H new ATOM 0 HB3 ASP B 35 8.546 -0.660 13.026 1.00 24.54 H new ATOM 2392 N LYS B 36 10.488 -3.071 12.087 1.00 10.31 N ATOM 2393 CA LYS B 36 11.951 -2.952 11.963 1.00 22.20 C ATOM 2394 C LYS B 36 12.458 -3.370 10.575 1.00 40.32 C ATOM 2395 O LYS B 36 13.571 -3.021 10.185 1.00 11.24 O ATOM 2396 CB LYS B 36 12.680 -3.756 13.065 1.00 33.33 C ATOM 2397 CG LYS B 36 12.761 -5.251 12.839 1.00 65.10 C ATOM 2398 CD LYS B 36 13.460 -5.984 13.990 1.00 32.33 C ATOM 2399 CE LYS B 36 12.829 -5.692 15.340 1.00 42.44 C ATOM 2400 NZ LYS B 36 13.514 -6.398 16.433 1.00 73.30 N ATOM 0 H LYS B 36 10.175 -3.810 12.716 1.00 10.31 H new ATOM 0 HA LYS B 36 12.183 -1.895 12.093 1.00 22.20 H new ATOM 0 HB2 LYS B 36 13.693 -3.366 13.164 1.00 33.33 H new ATOM 0 HB3 LYS B 36 12.175 -3.577 14.014 1.00 33.33 H new ATOM 0 HG2 LYS B 36 11.755 -5.651 12.716 1.00 65.10 H new ATOM 0 HG3 LYS B 36 13.297 -5.446 11.910 1.00 65.10 H new ATOM 0 HD2 LYS B 36 13.429 -7.058 13.804 1.00 32.33 H new ATOM 0 HD3 LYS B 36 14.511 -5.695 14.015 1.00 32.33 H new ATOM 0 HE2 LYS B 36 12.856 -4.619 15.528 1.00 42.44 H new ATOM 0 HE3 LYS B 36 11.779 -5.985 15.321 1.00 42.44 H new ATOM 0 HZ1 LYS B 36 13.052 -6.171 17.336 1.00 73.30 H new ATOM 0 HZ2 LYS B 36 13.466 -7.424 16.268 1.00 73.30 H new ATOM 0 HZ3 LYS B 36 14.510 -6.099 16.469 1.00 73.30 H new ATOM 2414 N ARG B 37 11.644 -4.103 9.843 1.00 0.15 N ATOM 2415 CA ARG B 37 12.007 -4.597 8.529 1.00 45.32 C ATOM 2416 C ARG B 37 11.076 -4.068 7.419 1.00 34.44 C ATOM 2417 O ARG B 37 11.075 -4.586 6.299 1.00 13.33 O ATOM 2418 CB ARG B 37 12.138 -6.149 8.547 1.00 71.02 C ATOM 2419 CG ARG B 37 11.079 -6.837 9.391 1.00 12.21 C ATOM 2420 CD ARG B 37 11.153 -8.347 9.388 1.00 43.13 C ATOM 2421 NE ARG B 37 10.082 -8.945 10.218 1.00 41.45 N ATOM 2422 CZ ARG B 37 9.816 -10.260 10.324 1.00 41.12 C ATOM 2423 NH1 ARG B 37 10.612 -11.151 9.762 1.00 1.43 N ATOM 2424 NH2 ARG B 37 8.769 -10.677 11.024 1.00 60.11 N ATOM 0 H ARG B 37 10.708 -4.374 10.144 1.00 0.15 H new ATOM 0 HA ARG B 37 12.989 -4.198 8.276 1.00 45.32 H new ATOM 0 HB2 ARG B 37 12.076 -6.523 7.525 1.00 71.02 H new ATOM 0 HB3 ARG B 37 13.124 -6.418 8.925 1.00 71.02 H new ATOM 0 HG2 ARG B 37 11.167 -6.484 10.419 1.00 12.21 H new ATOM 0 HG3 ARG B 37 10.095 -6.534 9.033 1.00 12.21 H new ATOM 0 HD2 ARG B 37 11.070 -8.714 8.365 1.00 43.13 H new ATOM 0 HD3 ARG B 37 12.126 -8.665 9.763 1.00 43.13 H new ATOM 0 HE ARG B 37 9.496 -8.306 10.755 1.00 41.45 H new ATOM 0 HH11 ARG B 37 11.435 -10.844 9.243 1.00 1.43 H new ATOM 0 HH12 ARG B 37 10.404 -12.146 9.847 1.00 1.43 H new ATOM 0 HH21 ARG B 37 8.161 -10.000 11.485 1.00 60.11 H new ATOM 0 HH22 ARG B 37 8.572 -11.675 11.101 1.00 60.11 H new ATOM 2438 N SER B 38 10.314 -3.018 7.732 1.00 44.30 N ATOM 2439 CA SER B 38 9.431 -2.370 6.757 1.00 33.12 C ATOM 2440 C SER B 38 10.035 -1.056 6.225 1.00 43.51 C ATOM 2441 O SER B 38 10.832 -0.393 6.904 1.00 5.14 O ATOM 2442 CB SER B 38 8.064 -2.081 7.396 1.00 2.45 C ATOM 2443 OG SER B 38 7.167 -1.450 6.479 1.00 22.44 O ATOM 0 H SER B 38 10.290 -2.595 8.660 1.00 44.30 H new ATOM 0 HA SER B 38 9.312 -3.054 5.917 1.00 33.12 H new ATOM 0 HB2 SER B 38 7.624 -3.014 7.749 1.00 2.45 H new ATOM 0 HB3 SER B 38 8.199 -1.442 8.269 1.00 2.45 H new ATOM 0 HG SER B 38 6.939 -2.077 5.761 1.00 22.44 H new ATOM 2449 N VAL B 39 9.614 -0.681 5.029 1.00 34.43 N ATOM 2450 CA VAL B 39 10.035 0.543 4.356 1.00 44.43 C ATOM 2451 C VAL B 39 8.901 1.209 3.637 1.00 75.20 C ATOM 2452 O VAL B 39 7.866 0.606 3.381 1.00 32.33 O ATOM 2453 CB VAL B 39 11.231 0.376 3.363 1.00 24.30 C ATOM 2454 CG1 VAL B 39 12.535 0.493 4.079 1.00 25.05 C ATOM 2455 CG2 VAL B 39 11.169 -0.958 2.646 1.00 21.41 C ATOM 0 H VAL B 39 8.952 -1.232 4.482 1.00 34.43 H new ATOM 0 HA VAL B 39 10.386 1.171 5.175 1.00 44.43 H new ATOM 0 HB VAL B 39 11.153 1.175 2.625 1.00 24.30 H new ATOM 0 HG11 VAL B 39 13.352 0.373 3.368 1.00 25.05 H new ATOM 0 HG12 VAL B 39 12.605 1.473 4.550 1.00 25.05 H new ATOM 0 HG13 VAL B 39 12.602 -0.282 4.842 1.00 25.05 H new ATOM 0 HG21 VAL B 39 12.014 -1.044 1.963 1.00 21.41 H new ATOM 0 HG22 VAL B 39 11.210 -1.766 3.377 1.00 21.41 H new ATOM 0 HG23 VAL B 39 10.239 -1.025 2.082 1.00 21.41 H new ATOM 2465 N TYR B 40 9.125 2.442 3.302 1.00 74.40 N ATOM 2466 CA TYR B 40 8.204 3.263 2.582 1.00 25.55 C ATOM 2467 C TYR B 40 8.820 3.596 1.278 1.00 1.23 C ATOM 2468 O TYR B 40 9.953 4.049 1.227 1.00 14.41 O ATOM 2469 CB TYR B 40 7.894 4.554 3.356 1.00 1.02 C ATOM 2470 CG TYR B 40 7.264 5.683 2.516 1.00 73.43 C ATOM 2471 CD1 TYR B 40 5.929 5.680 2.174 1.00 52.54 C ATOM 2472 CD2 TYR B 40 8.040 6.754 2.080 1.00 14.23 C ATOM 2473 CE1 TYR B 40 5.381 6.704 1.429 1.00 14.44 C ATOM 2474 CE2 TYR B 40 7.508 7.780 1.342 1.00 74.33 C ATOM 2475 CZ TYR B 40 6.173 7.752 1.018 1.00 41.35 C ATOM 2476 OH TYR B 40 5.621 8.777 0.278 1.00 50.24 O ATOM 0 H TYR B 40 9.994 2.924 3.534 1.00 74.40 H new ATOM 0 HA TYR B 40 7.265 2.727 2.444 1.00 25.55 H new ATOM 0 HB2 TYR B 40 7.220 4.314 4.178 1.00 1.02 H new ATOM 0 HB3 TYR B 40 8.818 4.924 3.800 1.00 1.02 H new ATOM 0 HD1 TYR B 40 5.301 4.862 2.495 1.00 52.54 H new ATOM 0 HD2 TYR B 40 9.090 6.777 2.330 1.00 14.23 H new ATOM 0 HE1 TYR B 40 4.333 6.683 1.169 1.00 14.44 H new ATOM 0 HE2 TYR B 40 8.131 8.601 1.019 1.00 74.33 H new ATOM 0 HH TYR B 40 6.313 9.439 0.069 1.00 50.24 H new ATOM 2486 N VAL B 41 8.102 3.343 0.250 1.00 31.53 N ATOM 2487 CA VAL B 41 8.495 3.630 -1.081 1.00 24.10 C ATOM 2488 C VAL B 41 7.565 4.708 -1.602 1.00 1.20 C ATOM 2489 O VAL B 41 6.374 4.463 -1.807 1.00 13.22 O ATOM 2490 CB VAL B 41 8.337 2.363 -1.946 1.00 21.51 C ATOM 2491 CG1 VAL B 41 8.766 2.612 -3.389 1.00 43.12 C ATOM 2492 CG2 VAL B 41 9.124 1.215 -1.340 1.00 34.34 C ATOM 0 H VAL B 41 7.181 2.910 0.314 1.00 31.53 H new ATOM 0 HA VAL B 41 9.534 3.957 -1.117 1.00 24.10 H new ATOM 0 HB VAL B 41 7.280 2.095 -1.963 1.00 21.51 H new ATOM 0 HG11 VAL B 41 8.641 1.697 -3.969 1.00 43.12 H new ATOM 0 HG12 VAL B 41 8.151 3.402 -3.820 1.00 43.12 H new ATOM 0 HG13 VAL B 41 9.813 2.915 -3.410 1.00 43.12 H new ATOM 0 HG21 VAL B 41 9.005 0.326 -1.959 1.00 34.34 H new ATOM 0 HG22 VAL B 41 10.179 1.484 -1.290 1.00 34.34 H new ATOM 0 HG23 VAL B 41 8.754 1.010 -0.336 1.00 34.34 H new ATOM 2502 N GLY B 42 8.076 5.893 -1.779 1.00 43.11 N ATOM 2503 CA GLY B 42 7.248 6.979 -2.219 1.00 15.55 C ATOM 2504 C GLY B 42 7.546 7.397 -3.631 1.00 51.55 C ATOM 2505 O GLY B 42 8.548 6.971 -4.211 1.00 31.11 O ATOM 0 H GLY B 42 9.056 6.131 -1.627 1.00 43.11 H new ATOM 0 HA2 GLY B 42 6.201 6.686 -2.144 1.00 15.55 H new ATOM 0 HA3 GLY B 42 7.389 7.831 -1.554 1.00 15.55 H new ATOM 2509 N ASN B 43 6.677 8.256 -4.162 1.00 73.32 N ATOM 2510 CA ASN B 43 6.693 8.776 -5.565 1.00 12.45 C ATOM 2511 C ASN B 43 6.470 7.661 -6.613 1.00 24.31 C ATOM 2512 O ASN B 43 6.428 7.915 -7.821 1.00 5.31 O ATOM 2513 CB ASN B 43 7.969 9.586 -5.874 1.00 31.12 C ATOM 2514 CG ASN B 43 7.855 10.389 -7.173 1.00 21.44 C ATOM 2515 OD1 ASN B 43 6.764 10.818 -7.556 1.00 71.02 O ATOM 2516 ND2 ASN B 43 8.955 10.601 -7.847 1.00 11.13 N ATOM 0 H ASN B 43 5.902 8.636 -3.619 1.00 73.32 H new ATOM 0 HA ASN B 43 5.847 9.460 -5.640 1.00 12.45 H new ATOM 0 HB2 ASN B 43 8.173 10.266 -5.047 1.00 31.12 H new ATOM 0 HB3 ASN B 43 8.818 8.907 -5.944 1.00 31.12 H new ATOM 0 HD21 ASN B 43 8.926 11.134 -8.716 1.00 11.13 H new ATOM 0 HD22 ASN B 43 9.842 10.233 -7.504 1.00 11.13 H new ATOM 2523 N VAL B 44 6.316 6.445 -6.137 1.00 1.14 N ATOM 2524 CA VAL B 44 6.014 5.300 -6.972 1.00 51.23 C ATOM 2525 C VAL B 44 4.723 5.562 -7.715 1.00 74.44 C ATOM 2526 O VAL B 44 3.738 6.020 -7.146 1.00 65.12 O ATOM 2527 CB VAL B 44 5.965 3.989 -6.126 1.00 40.15 C ATOM 2528 CG1 VAL B 44 5.051 4.122 -4.951 1.00 12.20 C ATOM 2529 CG2 VAL B 44 5.556 2.814 -6.958 1.00 22.21 C ATOM 0 H VAL B 44 6.398 6.219 -5.146 1.00 1.14 H new ATOM 0 HA VAL B 44 6.806 5.155 -7.706 1.00 51.23 H new ATOM 0 HB VAL B 44 6.976 3.819 -5.757 1.00 40.15 H new ATOM 0 HG11 VAL B 44 5.044 3.189 -4.388 1.00 12.20 H new ATOM 0 HG12 VAL B 44 5.399 4.931 -4.309 1.00 12.20 H new ATOM 0 HG13 VAL B 44 4.042 4.343 -5.298 1.00 12.20 H new ATOM 0 HG21 VAL B 44 5.533 1.919 -6.337 1.00 22.21 H new ATOM 0 HG22 VAL B 44 4.565 2.992 -7.376 1.00 22.21 H new ATOM 0 HG23 VAL B 44 6.272 2.675 -7.768 1.00 22.21 H new ATOM 2539 N ASP B 45 4.754 5.339 -8.991 1.00 21.34 N ATOM 2540 CA ASP B 45 3.634 5.675 -9.801 1.00 23.04 C ATOM 2541 C ASP B 45 2.514 4.679 -9.641 1.00 63.43 C ATOM 2542 O ASP B 45 2.738 3.519 -9.318 1.00 3.43 O ATOM 2543 CB ASP B 45 4.020 5.831 -11.273 1.00 75.52 C ATOM 2544 CG ASP B 45 2.859 6.328 -12.114 1.00 74.44 C ATOM 2545 OD1 ASP B 45 2.638 7.547 -12.170 1.00 44.14 O ATOM 2546 OD2 ASP B 45 2.138 5.502 -12.707 1.00 43.02 O ATOM 0 H ASP B 45 5.542 4.927 -9.490 1.00 21.34 H new ATOM 0 HA ASP B 45 3.273 6.642 -9.452 1.00 23.04 H new ATOM 0 HB2 ASP B 45 4.854 6.528 -11.358 1.00 75.52 H new ATOM 0 HB3 ASP B 45 4.365 4.873 -11.661 1.00 75.52 H new ATOM 2551 N TYR B 46 1.333 5.171 -9.880 1.00 13.41 N ATOM 2552 CA TYR B 46 0.085 4.448 -9.839 1.00 54.33 C ATOM 2553 C TYR B 46 0.164 3.140 -10.679 1.00 75.44 C ATOM 2554 O TYR B 46 -0.448 2.123 -10.331 1.00 34.34 O ATOM 2555 CB TYR B 46 -0.979 5.388 -10.411 1.00 71.41 C ATOM 2556 CG TYR B 46 -2.384 4.882 -10.390 1.00 13.11 C ATOM 2557 CD1 TYR B 46 -2.854 4.056 -11.390 1.00 21.33 C ATOM 2558 CD2 TYR B 46 -3.245 5.245 -9.378 1.00 44.44 C ATOM 2559 CE1 TYR B 46 -4.140 3.604 -11.384 1.00 1.21 C ATOM 2560 CE2 TYR B 46 -4.540 4.801 -9.361 1.00 13.51 C ATOM 2561 CZ TYR B 46 -4.979 3.971 -10.379 1.00 12.20 C ATOM 2562 OH TYR B 46 -6.248 3.513 -10.393 1.00 70.13 O ATOM 0 H TYR B 46 1.203 6.152 -10.125 1.00 13.41 H new ATOM 0 HA TYR B 46 -0.154 4.150 -8.818 1.00 54.33 H new ATOM 0 HB2 TYR B 46 -0.944 6.325 -9.855 1.00 71.41 H new ATOM 0 HB3 TYR B 46 -0.713 5.619 -11.442 1.00 71.41 H new ATOM 0 HD1 TYR B 46 -2.192 3.763 -12.191 1.00 21.33 H new ATOM 0 HD2 TYR B 46 -2.893 5.890 -8.586 1.00 44.44 H new ATOM 0 HE1 TYR B 46 -4.491 2.957 -12.174 1.00 1.21 H new ATOM 0 HE2 TYR B 46 -5.209 5.094 -8.566 1.00 13.51 H new ATOM 0 HH TYR B 46 -6.275 2.637 -10.832 1.00 70.13 H new ATOM 2572 N GLY B 47 0.919 3.175 -11.781 1.00 71.42 N ATOM 2573 CA GLY B 47 1.040 1.998 -12.608 1.00 31.23 C ATOM 2574 C GLY B 47 2.204 1.123 -12.246 1.00 72.02 C ATOM 2575 O GLY B 47 2.473 0.141 -12.952 1.00 61.12 O ATOM 0 H GLY B 47 1.439 3.990 -12.105 1.00 71.42 H new ATOM 0 HA2 GLY B 47 0.122 1.416 -12.532 1.00 31.23 H new ATOM 0 HA3 GLY B 47 1.138 2.305 -13.649 1.00 31.23 H new ATOM 2579 N SER B 48 2.935 1.452 -11.192 1.00 52.31 N ATOM 2580 CA SER B 48 3.923 0.546 -10.749 1.00 63.01 C ATOM 2581 C SER B 48 3.162 -0.580 -10.102 1.00 50.40 C ATOM 2582 O SER B 48 2.423 -0.377 -9.133 1.00 12.03 O ATOM 2583 CB SER B 48 4.879 1.195 -9.779 1.00 61.52 C ATOM 2584 OG SER B 48 5.890 0.295 -9.385 1.00 12.30 O ATOM 0 H SER B 48 2.851 2.317 -10.658 1.00 52.31 H new ATOM 0 HA SER B 48 4.544 0.194 -11.573 1.00 63.01 H new ATOM 0 HB2 SER B 48 5.330 2.074 -10.240 1.00 61.52 H new ATOM 0 HB3 SER B 48 4.333 1.540 -8.901 1.00 61.52 H new ATOM 0 HG SER B 48 6.490 0.126 -10.141 1.00 12.30 H new ATOM 2590 N THR B 49 3.313 -1.734 -10.629 1.00 34.53 N ATOM 2591 CA THR B 49 2.486 -2.800 -10.237 1.00 41.14 C ATOM 2592 C THR B 49 3.164 -3.572 -9.097 1.00 61.53 C ATOM 2593 O THR B 49 4.357 -3.362 -8.839 1.00 13.22 O ATOM 2594 CB THR B 49 2.237 -3.690 -11.442 1.00 24.34 C ATOM 2595 OG1 THR B 49 2.218 -2.850 -12.622 1.00 22.25 O ATOM 2596 CG2 THR B 49 0.872 -4.275 -11.344 1.00 22.51 C ATOM 0 H THR B 49 4.009 -1.963 -11.339 1.00 34.53 H new ATOM 0 HA THR B 49 1.526 -2.434 -9.872 1.00 41.14 H new ATOM 0 HB THR B 49 3.004 -4.463 -11.487 1.00 24.34 H new ATOM 0 HG1 THR B 49 3.123 -2.785 -12.992 1.00 22.25 H new ATOM 0 HG21 THR B 49 0.688 -4.915 -12.207 1.00 22.51 H new ATOM 0 HG22 THR B 49 0.794 -4.865 -10.431 1.00 22.51 H new ATOM 0 HG23 THR B 49 0.133 -3.474 -11.322 1.00 22.51 H new ATOM 2604 N ALA B 50 2.423 -4.455 -8.408 1.00 40.51 N ATOM 2605 CA ALA B 50 2.958 -5.207 -7.280 1.00 72.30 C ATOM 2606 C ALA B 50 4.200 -5.992 -7.674 1.00 30.43 C ATOM 2607 O ALA B 50 5.185 -5.977 -6.956 1.00 61.12 O ATOM 2608 CB ALA B 50 1.878 -6.139 -6.728 1.00 45.30 C ATOM 0 H ALA B 50 1.447 -4.661 -8.621 1.00 40.51 H new ATOM 0 HA ALA B 50 3.255 -4.503 -6.503 1.00 72.30 H new ATOM 0 HB1 ALA B 50 2.279 -6.701 -5.884 1.00 45.30 H new ATOM 0 HB2 ALA B 50 1.023 -5.549 -6.398 1.00 45.30 H new ATOM 0 HB3 ALA B 50 1.562 -6.832 -7.508 1.00 45.30 H new ATOM 2614 N GLN B 51 4.135 -6.668 -8.819 1.00 32.10 N ATOM 2615 CA GLN B 51 5.279 -7.441 -9.341 1.00 32.33 C ATOM 2616 C GLN B 51 6.502 -6.556 -9.514 1.00 4.42 C ATOM 2617 O GLN B 51 7.595 -6.929 -9.115 1.00 42.43 O ATOM 2618 CB GLN B 51 4.960 -8.105 -10.702 1.00 23.53 C ATOM 2619 CG GLN B 51 3.770 -9.061 -10.716 1.00 53.42 C ATOM 2620 CD GLN B 51 2.435 -8.358 -10.571 1.00 41.50 C ATOM 2621 OE1 GLN B 51 2.261 -7.228 -11.009 1.00 3.11 O ATOM 2622 NE2 GLN B 51 1.517 -8.989 -9.931 1.00 10.14 N ATOM 0 H GLN B 51 3.304 -6.701 -9.410 1.00 32.10 H new ATOM 0 HA GLN B 51 5.482 -8.220 -8.606 1.00 32.33 H new ATOM 0 HB2 GLN B 51 4.778 -7.318 -11.434 1.00 23.53 H new ATOM 0 HB3 GLN B 51 5.843 -8.651 -11.034 1.00 23.53 H new ATOM 0 HG2 GLN B 51 3.777 -9.625 -11.649 1.00 53.42 H new ATOM 0 HG3 GLN B 51 3.883 -9.782 -9.907 1.00 53.42 H new ATOM 0 HE21 GLN B 51 1.695 -9.930 -9.579 1.00 10.14 H new ATOM 0 HE22 GLN B 51 0.610 -8.549 -9.775 1.00 10.14 H new ATOM 2631 N ASP B 52 6.298 -5.374 -10.083 1.00 62.41 N ATOM 2632 CA ASP B 52 7.388 -4.406 -10.303 1.00 51.34 C ATOM 2633 C ASP B 52 8.075 -4.060 -9.022 1.00 52.30 C ATOM 2634 O ASP B 52 9.299 -4.030 -8.946 1.00 64.45 O ATOM 2635 CB ASP B 52 6.886 -3.112 -10.942 1.00 12.43 C ATOM 2636 CG ASP B 52 6.454 -3.274 -12.356 1.00 61.32 C ATOM 2637 OD1 ASP B 52 7.320 -3.200 -13.262 1.00 70.21 O ATOM 2638 OD2 ASP B 52 5.254 -3.470 -12.595 1.00 71.24 O ATOM 0 H ASP B 52 5.385 -5.053 -10.405 1.00 62.41 H new ATOM 0 HA ASP B 52 8.089 -4.892 -10.981 1.00 51.34 H new ATOM 0 HB2 ASP B 52 6.050 -2.729 -10.357 1.00 12.43 H new ATOM 0 HB3 ASP B 52 7.677 -2.363 -10.896 1.00 12.43 H new ATOM 2643 N LEU B 53 7.289 -3.813 -8.017 1.00 3.43 N ATOM 2644 CA LEU B 53 7.798 -3.419 -6.732 1.00 41.11 C ATOM 2645 C LEU B 53 8.459 -4.568 -6.023 1.00 3.05 C ATOM 2646 O LEU B 53 9.596 -4.447 -5.556 1.00 51.03 O ATOM 2647 CB LEU B 53 6.629 -2.909 -5.901 1.00 70.03 C ATOM 2648 CG LEU B 53 5.996 -1.643 -6.416 1.00 41.11 C ATOM 2649 CD1 LEU B 53 4.681 -1.388 -5.715 1.00 44.25 C ATOM 2650 CD2 LEU B 53 6.943 -0.500 -6.134 1.00 53.41 C ATOM 0 H LEU B 53 6.272 -3.879 -8.063 1.00 3.43 H new ATOM 0 HA LEU B 53 8.551 -2.643 -6.868 1.00 41.11 H new ATOM 0 HB2 LEU B 53 5.867 -3.687 -5.854 1.00 70.03 H new ATOM 0 HB3 LEU B 53 6.973 -2.738 -4.881 1.00 70.03 H new ATOM 0 HG LEU B 53 5.805 -1.734 -7.485 1.00 41.11 H new ATOM 0 HD11 LEU B 53 4.236 -0.470 -6.098 1.00 44.25 H new ATOM 0 HD12 LEU B 53 4.004 -2.223 -5.897 1.00 44.25 H new ATOM 0 HD13 LEU B 53 4.853 -1.288 -4.643 1.00 44.25 H new ATOM 0 HD21 LEU B 53 6.508 0.431 -6.498 1.00 53.41 H new ATOM 0 HD22 LEU B 53 7.114 -0.426 -5.060 1.00 53.41 H new ATOM 0 HD23 LEU B 53 7.891 -0.680 -6.641 1.00 53.41 H new ATOM 2662 N GLU B 54 7.774 -5.686 -5.972 1.00 21.34 N ATOM 2663 CA GLU B 54 8.238 -6.853 -5.275 1.00 22.24 C ATOM 2664 C GLU B 54 9.530 -7.390 -5.896 1.00 35.12 C ATOM 2665 O GLU B 54 10.494 -7.588 -5.196 1.00 41.25 O ATOM 2666 CB GLU B 54 7.073 -7.857 -5.343 1.00 62.14 C ATOM 2667 CG GLU B 54 7.062 -9.032 -4.369 1.00 34.12 C ATOM 2668 CD GLU B 54 8.055 -10.105 -4.668 1.00 63.33 C ATOM 2669 OE1 GLU B 54 8.040 -10.626 -5.790 1.00 43.02 O ATOM 2670 OE2 GLU B 54 8.822 -10.488 -3.772 1.00 61.40 O ATOM 0 H GLU B 54 6.866 -5.808 -6.421 1.00 21.34 H new ATOM 0 HA GLU B 54 8.499 -6.642 -4.238 1.00 22.24 H new ATOM 0 HB2 GLU B 54 6.147 -7.300 -5.199 1.00 62.14 H new ATOM 0 HB3 GLU B 54 7.046 -8.265 -6.354 1.00 62.14 H new ATOM 0 HG2 GLU B 54 7.249 -8.654 -3.364 1.00 34.12 H new ATOM 0 HG3 GLU B 54 6.065 -9.471 -4.364 1.00 34.12 H new ATOM 2677 N ALA B 55 9.559 -7.561 -7.206 1.00 13.14 N ATOM 2678 CA ALA B 55 10.775 -8.029 -7.892 1.00 14.41 C ATOM 2679 C ALA B 55 11.950 -7.061 -7.694 1.00 10.25 C ATOM 2680 O ALA B 55 13.109 -7.478 -7.396 1.00 4.34 O ATOM 2681 CB ALA B 55 10.509 -8.245 -9.375 1.00 70.54 C ATOM 0 H ALA B 55 8.765 -7.387 -7.823 1.00 13.14 H new ATOM 0 HA ALA B 55 11.053 -8.983 -7.443 1.00 14.41 H new ATOM 0 HB1 ALA B 55 11.421 -8.591 -9.862 1.00 70.54 H new ATOM 0 HB2 ALA B 55 9.726 -8.993 -9.499 1.00 70.54 H new ATOM 0 HB3 ALA B 55 10.189 -7.306 -9.828 1.00 70.54 H new ATOM 2687 N HIS B 56 11.660 -5.775 -7.795 1.00 74.10 N ATOM 2688 CA HIS B 56 12.705 -4.761 -7.705 1.00 1.51 C ATOM 2689 C HIS B 56 13.295 -4.753 -6.295 1.00 73.34 C ATOM 2690 O HIS B 56 14.481 -4.509 -6.107 1.00 43.32 O ATOM 2691 CB HIS B 56 12.167 -3.376 -8.102 1.00 75.42 C ATOM 2692 CG HIS B 56 13.223 -2.315 -8.283 1.00 11.54 C ATOM 2693 ND1 HIS B 56 13.699 -1.939 -9.520 1.00 35.24 N ATOM 2694 CD2 HIS B 56 13.864 -1.533 -7.392 1.00 55.51 C ATOM 2695 CE1 HIS B 56 14.584 -0.981 -9.378 1.00 53.15 C ATOM 2696 NE2 HIS B 56 14.702 -0.715 -8.097 1.00 24.44 N ATOM 0 H HIS B 56 10.719 -5.407 -7.938 1.00 74.10 H new ATOM 0 HA HIS B 56 13.500 -5.007 -8.409 1.00 1.51 H new ATOM 0 HB2 HIS B 56 11.606 -3.473 -9.032 1.00 75.42 H new ATOM 0 HB3 HIS B 56 11.464 -3.042 -7.339 1.00 75.42 H new ATOM 0 HD2 HIS B 56 13.739 -1.550 -6.319 1.00 55.51 H new ATOM 0 HE1 HIS B 56 15.123 -0.494 -10.177 1.00 53.15 H new ATOM 0 HE2 HIS B 56 15.320 -0.011 -7.693 1.00 24.44 H new ATOM 2705 N PHE B 57 12.456 -5.016 -5.313 1.00 51.13 N ATOM 2706 CA PHE B 57 12.883 -5.141 -3.941 1.00 54.21 C ATOM 2707 C PHE B 57 13.442 -6.516 -3.597 1.00 23.23 C ATOM 2708 O PHE B 57 14.183 -6.661 -2.638 1.00 20.33 O ATOM 2709 CB PHE B 57 11.862 -4.634 -2.943 1.00 33.53 C ATOM 2710 CG PHE B 57 11.845 -3.137 -2.856 1.00 44.04 C ATOM 2711 CD1 PHE B 57 12.806 -2.497 -2.117 1.00 41.12 C ATOM 2712 CD2 PHE B 57 10.898 -2.378 -3.504 1.00 71.12 C ATOM 2713 CE1 PHE B 57 12.829 -1.125 -2.017 1.00 14.34 C ATOM 2714 CE2 PHE B 57 10.914 -1.000 -3.407 1.00 65.34 C ATOM 2715 CZ PHE B 57 11.882 -0.379 -2.661 1.00 0.13 C ATOM 0 H PHE B 57 11.454 -5.149 -5.449 1.00 51.13 H new ATOM 0 HA PHE B 57 13.732 -4.464 -3.847 1.00 54.21 H new ATOM 0 HB2 PHE B 57 10.872 -4.990 -3.227 1.00 33.53 H new ATOM 0 HB3 PHE B 57 12.081 -5.050 -1.960 1.00 33.53 H new ATOM 0 HD1 PHE B 57 13.558 -3.079 -1.605 1.00 41.12 H new ATOM 0 HD2 PHE B 57 10.135 -2.864 -4.094 1.00 71.12 H new ATOM 0 HE1 PHE B 57 13.594 -0.638 -1.431 1.00 14.34 H new ATOM 0 HE2 PHE B 57 10.165 -0.413 -3.918 1.00 65.34 H new ATOM 0 HZ PHE B 57 11.896 0.698 -2.582 1.00 0.13 H new ATOM 2725 N SER B 58 13.080 -7.520 -4.397 1.00 62.44 N ATOM 2726 CA SER B 58 13.534 -8.904 -4.187 1.00 21.11 C ATOM 2727 C SER B 58 15.026 -8.984 -4.298 1.00 31.14 C ATOM 2728 O SER B 58 15.666 -9.823 -3.651 1.00 14.11 O ATOM 2729 CB SER B 58 12.904 -9.881 -5.189 1.00 52.00 C ATOM 2730 OG SER B 58 11.512 -10.007 -4.996 1.00 43.21 O ATOM 0 H SER B 58 12.468 -7.403 -5.205 1.00 62.44 H new ATOM 0 HA SER B 58 13.215 -9.192 -3.185 1.00 21.11 H new ATOM 0 HB2 SER B 58 13.100 -9.537 -6.204 1.00 52.00 H new ATOM 0 HB3 SER B 58 13.375 -10.859 -5.088 1.00 52.00 H new ATOM 0 HG SER B 58 11.100 -9.118 -4.998 1.00 43.21 H new ATOM 2736 N SER B 59 15.592 -8.115 -5.121 1.00 14.22 N ATOM 2737 CA SER B 59 17.026 -8.030 -5.247 1.00 62.43 C ATOM 2738 C SER B 59 17.669 -7.707 -3.870 1.00 63.42 C ATOM 2739 O SER B 59 18.774 -8.150 -3.565 1.00 13.53 O ATOM 2740 CB SER B 59 17.354 -6.925 -6.244 1.00 71.43 C ATOM 2741 OG SER B 59 16.650 -7.122 -7.465 1.00 74.43 O ATOM 0 H SER B 59 15.074 -7.462 -5.709 1.00 14.22 H new ATOM 0 HA SER B 59 17.424 -8.983 -5.595 1.00 62.43 H new ATOM 0 HB2 SER B 59 17.091 -5.956 -5.820 1.00 71.43 H new ATOM 0 HB3 SER B 59 18.427 -6.909 -6.436 1.00 71.43 H new ATOM 0 HG SER B 59 16.873 -6.402 -8.091 1.00 74.43 H new ATOM 2747 N CYS B 60 16.940 -6.969 -3.043 1.00 1.43 N ATOM 2748 CA CYS B 60 17.421 -6.541 -1.746 1.00 24.33 C ATOM 2749 C CYS B 60 17.064 -7.525 -0.598 1.00 35.45 C ATOM 2750 O CYS B 60 17.340 -7.233 0.563 1.00 0.13 O ATOM 2751 CB CYS B 60 16.872 -5.144 -1.436 1.00 12.23 C ATOM 2752 SG CYS B 60 17.289 -3.894 -2.683 1.00 22.43 S ATOM 0 H CYS B 60 15.995 -6.652 -3.259 1.00 1.43 H new ATOM 0 HA CYS B 60 18.509 -6.520 -1.800 1.00 24.33 H new ATOM 0 HB2 CYS B 60 15.787 -5.203 -1.344 1.00 12.23 H new ATOM 0 HB3 CYS B 60 17.257 -4.820 -0.469 1.00 12.23 H new ATOM 0 HG CYS B 60 16.257 -3.133 -2.897 1.00 22.43 H new ATOM 2758 N GLY B 61 16.492 -8.691 -0.910 1.00 0.13 N ATOM 2759 CA GLY B 61 16.172 -9.636 0.168 1.00 70.32 C ATOM 2760 C GLY B 61 14.845 -10.363 0.016 1.00 12.34 C ATOM 2761 O GLY B 61 14.297 -10.453 -1.086 1.00 70.31 O ATOM 0 H GLY B 61 16.249 -8.996 -1.853 1.00 0.13 H new ATOM 0 HA2 GLY B 61 16.969 -10.377 0.229 1.00 70.32 H new ATOM 0 HA3 GLY B 61 16.166 -9.095 1.114 1.00 70.32 H new ATOM 2765 N SER B 62 14.328 -10.893 1.127 1.00 3.13 N ATOM 2766 CA SER B 62 13.098 -11.665 1.115 1.00 75.50 C ATOM 2767 C SER B 62 11.928 -10.812 1.609 1.00 13.45 C ATOM 2768 O SER B 62 11.959 -10.275 2.708 1.00 52.35 O ATOM 2769 CB SER B 62 13.263 -12.873 2.021 1.00 62.53 C ATOM 2770 OG SER B 62 14.471 -13.561 1.718 1.00 64.11 O ATOM 0 H SER B 62 14.751 -10.796 2.050 1.00 3.13 H new ATOM 0 HA SER B 62 12.888 -11.988 0.095 1.00 75.50 H new ATOM 0 HB2 SER B 62 13.270 -12.555 3.064 1.00 62.53 H new ATOM 0 HB3 SER B 62 12.414 -13.545 1.899 1.00 62.53 H new ATOM 0 HG SER B 62 14.564 -14.336 2.311 1.00 64.11 H new ATOM 2776 N ILE B 63 10.924 -10.700 0.795 1.00 14.41 N ATOM 2777 CA ILE B 63 9.745 -9.905 1.080 1.00 51.35 C ATOM 2778 C ILE B 63 8.627 -10.742 1.761 1.00 43.43 C ATOM 2779 O ILE B 63 8.355 -11.876 1.374 1.00 21.00 O ATOM 2780 CB ILE B 63 9.231 -9.280 -0.240 1.00 52.22 C ATOM 2781 CG1 ILE B 63 10.330 -8.361 -0.814 1.00 53.51 C ATOM 2782 CG2 ILE B 63 7.929 -8.523 -0.045 1.00 33.34 C ATOM 2783 CD1 ILE B 63 9.963 -7.648 -2.086 1.00 51.42 C ATOM 0 H ILE B 63 10.890 -11.166 -0.112 1.00 14.41 H new ATOM 0 HA ILE B 63 10.020 -9.119 1.783 1.00 51.35 H new ATOM 0 HB ILE B 63 9.014 -10.081 -0.947 1.00 52.22 H new ATOM 0 HG12 ILE B 63 10.591 -7.617 -0.061 1.00 53.51 H new ATOM 0 HG13 ILE B 63 11.224 -8.958 -0.995 1.00 53.51 H new ATOM 0 HG21 ILE B 63 7.607 -8.102 -0.997 1.00 33.34 H new ATOM 0 HG22 ILE B 63 7.164 -9.204 0.328 1.00 33.34 H new ATOM 0 HG23 ILE B 63 8.080 -7.718 0.675 1.00 33.34 H new ATOM 0 HD11 ILE B 63 10.799 -7.028 -2.410 1.00 51.42 H new ATOM 0 HD12 ILE B 63 9.733 -8.380 -2.860 1.00 51.42 H new ATOM 0 HD13 ILE B 63 9.090 -7.019 -1.912 1.00 51.42 H new ATOM 2795 N ASN B 64 8.036 -10.173 2.801 1.00 62.21 N ATOM 2796 CA ASN B 64 6.902 -10.777 3.532 1.00 21.32 C ATOM 2797 C ASN B 64 5.586 -10.117 3.183 1.00 60.44 C ATOM 2798 O ASN B 64 4.552 -10.764 3.177 1.00 24.30 O ATOM 2799 CB ASN B 64 7.106 -10.746 5.058 1.00 64.24 C ATOM 2800 CG ASN B 64 7.853 -11.944 5.641 1.00 64.13 C ATOM 2801 OD1 ASN B 64 8.616 -12.611 4.877 1.00 30.44 O flip ATOM 2802 ND2 ASN B 64 7.673 -12.277 6.776 1.00 42.12 N flip ATOM 0 H ASN B 64 8.324 -9.269 3.175 1.00 62.21 H new ATOM 0 HA ASN B 64 6.866 -11.818 3.212 1.00 21.32 H new ATOM 0 HB2 ASN B 64 7.651 -9.838 5.317 1.00 64.24 H new ATOM 0 HB3 ASN B 64 6.129 -10.679 5.537 1.00 64.24 H new ATOM 0 HD21 ASN B 64 7.057 -11.729 7.376 1.00 42.12 H new ATOM 0 HD22 ASN B 64 8.136 -13.108 7.143 1.00 42.12 H new ATOM 2809 N ARG B 65 5.617 -8.839 2.909 1.00 63.43 N ATOM 2810 CA ARG B 65 4.411 -8.099 2.523 1.00 51.42 C ATOM 2811 C ARG B 65 4.798 -6.948 1.650 1.00 35.21 C ATOM 2812 O ARG B 65 5.935 -6.493 1.696 1.00 3.24 O ATOM 2813 CB ARG B 65 3.644 -7.477 3.730 1.00 43.44 C ATOM 2814 CG ARG B 65 3.069 -8.406 4.789 1.00 3.23 C ATOM 2815 CD ARG B 65 2.254 -7.572 5.790 1.00 55.54 C ATOM 2816 NE ARG B 65 1.565 -8.377 6.819 1.00 41.10 N ATOM 2817 CZ ARG B 65 0.432 -7.981 7.467 1.00 64.24 C ATOM 2818 NH1 ARG B 65 -0.129 -6.802 7.194 1.00 11.52 N ATOM 2819 NH2 ARG B 65 -0.127 -8.770 8.380 1.00 50.13 N ATOM 0 H ARG B 65 6.464 -8.272 2.942 1.00 63.43 H new ATOM 0 HA ARG B 65 3.767 -8.825 2.027 1.00 51.42 H new ATOM 0 HB2 ARG B 65 4.321 -6.785 4.230 1.00 43.44 H new ATOM 0 HB3 ARG B 65 2.822 -6.884 3.329 1.00 43.44 H new ATOM 0 HG2 ARG B 65 2.436 -9.162 4.324 1.00 3.23 H new ATOM 0 HG3 ARG B 65 3.872 -8.934 5.303 1.00 3.23 H new ATOM 0 HD2 ARG B 65 2.919 -6.862 6.283 1.00 55.54 H new ATOM 0 HD3 ARG B 65 1.513 -6.988 5.243 1.00 55.54 H new ATOM 0 HE ARG B 65 1.961 -9.286 7.060 1.00 41.10 H new ATOM 0 HH11 ARG B 65 0.289 -6.188 6.495 1.00 11.52 H new ATOM 0 HH12 ARG B 65 -0.976 -6.515 7.684 1.00 11.52 H new ATOM 0 HH21 ARG B 65 0.292 -9.674 8.598 1.00 50.13 H new ATOM 0 HH22 ARG B 65 -0.974 -8.471 8.863 1.00 50.13 H new ATOM 2833 N ILE B 66 3.865 -6.492 0.866 1.00 20.01 N ATOM 2834 CA ILE B 66 4.002 -5.251 0.159 1.00 64.41 C ATOM 2835 C ILE B 66 2.634 -4.631 0.151 1.00 43.43 C ATOM 2836 O ILE B 66 1.629 -5.331 -0.035 1.00 23.12 O ATOM 2837 CB ILE B 66 4.575 -5.286 -1.323 1.00 45.30 C ATOM 2838 CG1 ILE B 66 3.583 -5.838 -2.318 1.00 23.03 C ATOM 2839 CG2 ILE B 66 5.860 -6.080 -1.423 1.00 53.34 C ATOM 2840 CD1 ILE B 66 4.082 -5.770 -3.748 1.00 13.25 C ATOM 0 H ILE B 66 2.982 -6.973 0.698 1.00 20.01 H new ATOM 0 HA ILE B 66 4.770 -4.687 0.688 1.00 64.41 H new ATOM 0 HB ILE B 66 4.778 -4.244 -1.572 1.00 45.30 H new ATOM 0 HG12 ILE B 66 3.361 -6.875 -2.065 1.00 23.03 H new ATOM 0 HG13 ILE B 66 2.648 -5.283 -2.238 1.00 23.03 H new ATOM 0 HG21 ILE B 66 6.212 -6.074 -2.455 1.00 53.34 H new ATOM 0 HG22 ILE B 66 6.616 -5.631 -0.779 1.00 53.34 H new ATOM 0 HG23 ILE B 66 5.678 -7.107 -1.107 1.00 53.34 H new ATOM 0 HD11 ILE B 66 3.326 -6.181 -4.417 1.00 13.25 H new ATOM 0 HD12 ILE B 66 4.278 -4.732 -4.016 1.00 13.25 H new ATOM 0 HD13 ILE B 66 5.001 -6.348 -3.840 1.00 13.25 H new ATOM 2852 N THR B 67 2.584 -3.382 0.368 1.00 43.32 N ATOM 2853 CA THR B 67 1.354 -2.667 0.433 1.00 63.02 C ATOM 2854 C THR B 67 1.432 -1.533 -0.554 1.00 24.14 C ATOM 2855 O THR B 67 2.361 -0.757 -0.503 1.00 70.22 O ATOM 2856 CB THR B 67 1.147 -2.114 1.866 1.00 20.03 C ATOM 2857 OG1 THR B 67 1.223 -3.198 2.812 1.00 12.21 O ATOM 2858 CG2 THR B 67 -0.205 -1.429 2.003 1.00 0.53 C ATOM 0 H THR B 67 3.410 -2.801 0.511 1.00 43.32 H new ATOM 0 HA THR B 67 0.515 -3.320 0.193 1.00 63.02 H new ATOM 0 HB THR B 67 1.928 -1.380 2.064 1.00 20.03 H new ATOM 0 HG1 THR B 67 1.094 -2.850 3.719 1.00 12.21 H new ATOM 0 HG21 THR B 67 -0.320 -1.052 3.019 1.00 0.53 H new ATOM 0 HG22 THR B 67 -0.265 -0.599 1.299 1.00 0.53 H new ATOM 0 HG23 THR B 67 -0.999 -2.145 1.789 1.00 0.53 H new ATOM 2866 N ILE B 68 0.488 -1.430 -1.447 1.00 24.01 N ATOM 2867 CA ILE B 68 0.522 -0.382 -2.431 1.00 42.13 C ATOM 2868 C ILE B 68 -0.758 0.379 -2.280 1.00 12.22 C ATOM 2869 O ILE B 68 -1.820 -0.194 -2.430 1.00 64.15 O ATOM 2870 CB ILE B 68 0.583 -0.881 -3.925 1.00 72.23 C ATOM 2871 CG1 ILE B 68 1.586 -2.021 -4.161 1.00 62.02 C ATOM 2872 CG2 ILE B 68 0.904 0.276 -4.861 1.00 73.31 C ATOM 2873 CD1 ILE B 68 1.041 -3.390 -3.841 1.00 73.24 C ATOM 0 H ILE B 68 -0.314 -2.057 -1.515 1.00 24.01 H new ATOM 0 HA ILE B 68 1.428 0.197 -2.256 1.00 42.13 H new ATOM 0 HB ILE B 68 -0.407 -1.283 -4.140 1.00 72.23 H new ATOM 0 HG12 ILE B 68 1.904 -2.002 -5.203 1.00 62.02 H new ATOM 0 HG13 ILE B 68 2.473 -1.843 -3.554 1.00 62.02 H new ATOM 0 HG21 ILE B 68 0.942 -0.087 -5.888 1.00 73.31 H new ATOM 0 HG22 ILE B 68 0.131 1.039 -4.774 1.00 73.31 H new ATOM 0 HG23 ILE B 68 1.869 0.705 -4.592 1.00 73.31 H new ATOM 0 HD11 ILE B 68 1.808 -4.141 -4.033 1.00 73.24 H new ATOM 0 HD12 ILE B 68 0.749 -3.429 -2.791 1.00 73.24 H new ATOM 0 HD13 ILE B 68 0.172 -3.591 -4.467 1.00 73.24 H new ATOM 2885 N LEU B 69 -0.682 1.615 -1.943 1.00 14.41 N ATOM 2886 CA LEU B 69 -1.875 2.403 -1.831 1.00 21.50 C ATOM 2887 C LEU B 69 -1.849 3.584 -2.749 1.00 24.23 C ATOM 2888 O LEU B 69 -0.838 4.287 -2.852 1.00 13.32 O ATOM 2889 CB LEU B 69 -2.331 2.745 -0.380 1.00 62.14 C ATOM 2890 CG LEU B 69 -1.351 3.422 0.582 1.00 41.45 C ATOM 2891 CD1 LEU B 69 -2.094 3.846 1.840 1.00 35.20 C ATOM 2892 CD2 LEU B 69 -0.241 2.464 0.972 1.00 42.25 C ATOM 0 H LEU B 69 0.186 2.110 -1.739 1.00 14.41 H new ATOM 0 HA LEU B 69 -2.673 1.744 -2.174 1.00 21.50 H new ATOM 0 HB2 LEU B 69 -3.208 3.387 -0.457 1.00 62.14 H new ATOM 0 HB3 LEU B 69 -2.656 1.815 0.087 1.00 62.14 H new ATOM 0 HG LEU B 69 -0.918 4.290 0.085 1.00 41.45 H new ATOM 0 HD11 LEU B 69 -1.399 4.329 2.528 1.00 35.20 H new ATOM 0 HD12 LEU B 69 -2.887 4.545 1.576 1.00 35.20 H new ATOM 0 HD13 LEU B 69 -2.528 2.969 2.319 1.00 35.20 H new ATOM 0 HD21 LEU B 69 0.446 2.962 1.656 1.00 42.25 H new ATOM 0 HD22 LEU B 69 -0.670 1.590 1.462 1.00 42.25 H new ATOM 0 HD23 LEU B 69 0.300 2.151 0.079 1.00 42.25 H new ATOM 2904 N CYS B 70 -2.918 3.773 -3.449 1.00 50.03 N ATOM 2905 CA CYS B 70 -3.049 4.858 -4.368 1.00 72.14 C ATOM 2906 C CYS B 70 -4.170 5.754 -3.903 1.00 13.13 C ATOM 2907 O CYS B 70 -5.300 5.286 -3.724 1.00 21.41 O ATOM 2908 CB CYS B 70 -3.352 4.322 -5.766 1.00 13.13 C ATOM 2909 SG CYS B 70 -2.099 3.192 -6.412 1.00 52.31 S ATOM 0 H CYS B 70 -3.739 3.169 -3.399 1.00 50.03 H new ATOM 0 HA CYS B 70 -2.118 5.424 -4.408 1.00 72.14 H new ATOM 0 HB2 CYS B 70 -4.313 3.808 -5.746 1.00 13.13 H new ATOM 0 HB3 CYS B 70 -3.455 5.163 -6.451 1.00 13.13 H new ATOM 0 HG CYS B 70 -2.446 2.791 -7.599 1.00 52.31 H new ATOM 2915 N ASP B 71 -3.886 7.016 -3.688 1.00 71.03 N ATOM 2916 CA ASP B 71 -4.914 7.916 -3.230 1.00 71.13 C ATOM 2917 C ASP B 71 -5.273 8.892 -4.322 1.00 51.32 C ATOM 2918 O ASP B 71 -4.414 9.457 -4.956 1.00 11.21 O ATOM 2919 CB ASP B 71 -4.516 8.664 -1.948 1.00 14.15 C ATOM 2920 CG ASP B 71 -3.426 9.698 -2.135 1.00 73.24 C ATOM 2921 OD1 ASP B 71 -3.720 10.813 -2.567 1.00 64.04 O ATOM 2922 OD2 ASP B 71 -2.289 9.432 -1.820 1.00 1.31 O ATOM 0 H ASP B 71 -2.967 7.437 -3.820 1.00 71.03 H new ATOM 0 HA ASP B 71 -5.786 7.311 -2.983 1.00 71.13 H new ATOM 0 HB2 ASP B 71 -5.399 9.156 -1.541 1.00 14.15 H new ATOM 0 HB3 ASP B 71 -4.186 7.937 -1.206 1.00 14.15 H new ATOM 2927 N LYS B 72 -6.534 9.055 -4.557 1.00 64.31 N ATOM 2928 CA LYS B 72 -7.022 9.963 -5.573 1.00 72.00 C ATOM 2929 C LYS B 72 -7.885 11.029 -4.880 1.00 3.52 C ATOM 2930 O LYS B 72 -8.576 11.818 -5.529 1.00 41.34 O ATOM 2931 CB LYS B 72 -7.881 9.167 -6.591 1.00 63.21 C ATOM 2932 CG LYS B 72 -8.210 9.924 -7.876 1.00 54.03 C ATOM 2933 CD LYS B 72 -9.239 9.201 -8.760 1.00 21.53 C ATOM 2934 CE LYS B 72 -8.771 7.821 -9.217 1.00 45.22 C ATOM 2935 NZ LYS B 72 -9.745 7.201 -10.150 1.00 64.35 N ATOM 0 H LYS B 72 -7.270 8.563 -4.051 1.00 64.31 H new ATOM 0 HA LYS B 72 -6.195 10.438 -6.101 1.00 72.00 H new ATOM 0 HB2 LYS B 72 -7.354 8.249 -6.851 1.00 63.21 H new ATOM 0 HB3 LYS B 72 -8.814 8.874 -6.109 1.00 63.21 H new ATOM 0 HG2 LYS B 72 -8.592 10.912 -7.620 1.00 54.03 H new ATOM 0 HG3 LYS B 72 -7.293 10.074 -8.446 1.00 54.03 H new ATOM 0 HD2 LYS B 72 -10.174 9.097 -8.209 1.00 21.53 H new ATOM 0 HD3 LYS B 72 -9.452 9.814 -9.636 1.00 21.53 H new ATOM 0 HE2 LYS B 72 -7.801 7.908 -9.706 1.00 45.22 H new ATOM 0 HE3 LYS B 72 -8.634 7.176 -8.349 1.00 45.22 H new ATOM 0 HZ1 LYS B 72 -9.274 6.453 -10.697 1.00 64.35 H new ATOM 0 HZ2 LYS B 72 -10.532 6.790 -9.608 1.00 64.35 H new ATOM 0 HZ3 LYS B 72 -10.113 7.925 -10.799 1.00 64.35 H new ATOM 2949 N PHE B 73 -7.821 11.043 -3.547 1.00 32.14 N ATOM 2950 CA PHE B 73 -8.653 11.917 -2.711 1.00 3.31 C ATOM 2951 C PHE B 73 -8.542 13.434 -2.999 1.00 33.23 C ATOM 2952 O PHE B 73 -9.401 14.204 -2.550 1.00 1.14 O ATOM 2953 CB PHE B 73 -8.508 11.599 -1.190 1.00 44.42 C ATOM 2954 CG PHE B 73 -7.144 11.781 -0.559 1.00 61.33 C ATOM 2955 CD1 PHE B 73 -6.555 13.031 -0.462 1.00 13.45 C ATOM 2956 CD2 PHE B 73 -6.479 10.700 -0.019 1.00 43.52 C ATOM 2957 CE1 PHE B 73 -5.328 13.194 0.149 1.00 64.12 C ATOM 2958 CE2 PHE B 73 -5.248 10.856 0.592 1.00 32.03 C ATOM 2959 CZ PHE B 73 -4.674 12.104 0.676 1.00 41.12 C ATOM 0 H PHE B 73 -7.189 10.447 -3.013 1.00 32.14 H new ATOM 0 HA PHE B 73 -9.669 11.666 -3.015 1.00 3.31 H new ATOM 0 HB2 PHE B 73 -9.215 12.227 -0.647 1.00 44.42 H new ATOM 0 HB3 PHE B 73 -8.815 10.565 -1.033 1.00 44.42 H new ATOM 0 HD1 PHE B 73 -7.064 13.891 -0.871 1.00 13.45 H new ATOM 0 HD2 PHE B 73 -6.926 9.718 -0.074 1.00 43.52 H new ATOM 0 HE1 PHE B 73 -4.882 14.175 0.213 1.00 64.12 H new ATOM 0 HE2 PHE B 73 -4.737 9.998 1.003 1.00 32.03 H new ATOM 0 HZ PHE B 73 -3.713 12.227 1.154 1.00 41.12 H new ATOM 2969 N SER B 74 -7.500 13.865 -3.687 1.00 64.14 N ATOM 2970 CA SER B 74 -7.360 15.273 -4.033 1.00 32.14 C ATOM 2971 C SER B 74 -7.544 15.507 -5.546 1.00 4.31 C ATOM 2972 O SER B 74 -7.307 16.619 -6.049 1.00 72.21 O ATOM 2973 CB SER B 74 -5.994 15.789 -3.588 1.00 44.15 C ATOM 2974 OG SER B 74 -5.786 15.573 -2.193 1.00 43.44 O ATOM 0 H SER B 74 -6.742 13.267 -4.016 1.00 64.14 H new ATOM 0 HA SER B 74 -8.143 15.823 -3.512 1.00 32.14 H new ATOM 0 HB2 SER B 74 -5.211 15.287 -4.156 1.00 44.15 H new ATOM 0 HB3 SER B 74 -5.916 16.854 -3.809 1.00 44.15 H new ATOM 0 HG SER B 74 -5.807 14.612 -2.004 1.00 43.44 H new ATOM 2980 N GLY B 75 -7.986 14.488 -6.264 1.00 11.53 N ATOM 2981 CA GLY B 75 -8.164 14.626 -7.693 1.00 60.54 C ATOM 2982 C GLY B 75 -7.220 13.747 -8.477 1.00 30.34 C ATOM 2983 O GLY B 75 -7.646 12.933 -9.297 1.00 75.32 O ATOM 0 H GLY B 75 -8.224 13.571 -5.885 1.00 11.53 H new ATOM 0 HA2 GLY B 75 -9.192 14.375 -7.954 1.00 60.54 H new ATOM 0 HA3 GLY B 75 -8.008 15.667 -7.977 1.00 60.54 H new ATOM 2987 N HIS B 76 -5.945 13.897 -8.224 1.00 72.44 N ATOM 2988 CA HIS B 76 -4.946 13.096 -8.910 1.00 32.40 C ATOM 2989 C HIS B 76 -4.570 11.913 -8.066 1.00 53.41 C ATOM 2990 O HIS B 76 -4.282 12.065 -6.875 1.00 64.12 O ATOM 2991 CB HIS B 76 -3.691 13.885 -9.311 1.00 72.14 C ATOM 2992 CG HIS B 76 -3.935 14.950 -10.330 1.00 2.21 C ATOM 2993 ND1 HIS B 76 -3.432 16.225 -10.220 1.00 1.32 N ATOM 2994 CD2 HIS B 76 -4.599 14.913 -11.506 1.00 32.21 C ATOM 2995 CE1 HIS B 76 -3.779 16.924 -11.280 1.00 2.12 C ATOM 2996 NE2 HIS B 76 -4.485 16.150 -12.074 1.00 32.01 N ATOM 0 H HIS B 76 -5.568 14.563 -7.550 1.00 72.44 H new ATOM 0 HA HIS B 76 -5.404 12.762 -9.841 1.00 32.40 H new ATOM 0 HB2 HIS B 76 -3.263 14.343 -8.419 1.00 72.14 H new ATOM 0 HB3 HIS B 76 -2.947 13.189 -9.700 1.00 72.14 H new ATOM 0 HD2 HIS B 76 -5.122 14.064 -11.920 1.00 32.21 H new ATOM 0 HE1 HIS B 76 -3.527 17.958 -11.466 1.00 2.12 H new ATOM 0 HE2 HIS B 76 -4.884 16.428 -12.971 1.00 32.01 H new ATOM 3005 N PRO B 77 -4.591 10.718 -8.639 1.00 74.33 N ATOM 3006 CA PRO B 77 -4.231 9.524 -7.918 1.00 32.43 C ATOM 3007 C PRO B 77 -2.712 9.387 -7.759 1.00 71.03 C ATOM 3008 O PRO B 77 -1.958 9.340 -8.747 1.00 12.12 O ATOM 3009 CB PRO B 77 -4.825 8.411 -8.778 1.00 42.20 C ATOM 3010 CG PRO B 77 -4.783 8.946 -10.168 1.00 52.55 C ATOM 3011 CD PRO B 77 -4.976 10.432 -10.043 1.00 21.11 C ATOM 0 HA PRO B 77 -4.606 9.513 -6.895 1.00 32.43 H new ATOM 0 HB2 PRO B 77 -4.247 7.491 -8.690 1.00 42.20 H new ATOM 0 HB3 PRO B 77 -5.845 8.177 -8.474 1.00 42.20 H new ATOM 0 HG2 PRO B 77 -3.832 8.715 -10.647 1.00 52.55 H new ATOM 0 HG3 PRO B 77 -5.566 8.501 -10.782 1.00 52.55 H new ATOM 0 HD2 PRO B 77 -4.351 10.978 -10.749 1.00 21.11 H new ATOM 0 HD3 PRO B 77 -6.008 10.720 -10.242 1.00 21.11 H new ATOM 3019 N LYS B 78 -2.270 9.356 -6.524 1.00 5.43 N ATOM 3020 CA LYS B 78 -0.867 9.224 -6.203 1.00 51.21 C ATOM 3021 C LYS B 78 -0.614 7.813 -5.792 1.00 65.42 C ATOM 3022 O LYS B 78 -1.552 7.089 -5.497 1.00 51.21 O ATOM 3023 CB LYS B 78 -0.460 10.117 -5.018 1.00 2.24 C ATOM 3024 CG LYS B 78 -0.868 11.570 -5.115 1.00 62.35 C ATOM 3025 CD LYS B 78 -0.051 12.438 -4.146 1.00 44.21 C ATOM 3026 CE LYS B 78 -0.109 11.972 -2.677 1.00 61.32 C ATOM 3027 NZ LYS B 78 -1.454 12.073 -2.084 1.00 32.04 N ATOM 0 H LYS B 78 -2.877 9.422 -5.707 1.00 5.43 H new ATOM 0 HA LYS B 78 -0.294 9.517 -7.083 1.00 51.21 H new ATOM 0 HB2 LYS B 78 -0.891 9.699 -4.108 1.00 2.24 H new ATOM 0 HB3 LYS B 78 0.623 10.070 -4.908 1.00 2.24 H new ATOM 0 HG2 LYS B 78 -0.724 11.924 -6.136 1.00 62.35 H new ATOM 0 HG3 LYS B 78 -1.930 11.669 -4.890 1.00 62.35 H new ATOM 0 HD2 LYS B 78 0.989 12.446 -4.472 1.00 44.21 H new ATOM 0 HD3 LYS B 78 -0.411 13.465 -4.204 1.00 44.21 H new ATOM 0 HE2 LYS B 78 0.229 10.937 -2.618 1.00 61.32 H new ATOM 0 HE3 LYS B 78 0.586 12.569 -2.086 1.00 61.32 H new ATOM 0 HZ1 LYS B 78 -1.483 11.535 -1.195 1.00 32.04 H new ATOM 0 HZ2 LYS B 78 -1.675 13.071 -1.892 1.00 32.04 H new ATOM 0 HZ3 LYS B 78 -2.155 11.685 -2.746 1.00 32.04 H new ATOM 3041 N GLY B 79 0.619 7.425 -5.766 1.00 41.10 N ATOM 3042 CA GLY B 79 0.934 6.110 -5.324 1.00 65.14 C ATOM 3043 C GLY B 79 2.086 6.074 -4.362 1.00 31.45 C ATOM 3044 O GLY B 79 3.053 6.837 -4.494 1.00 73.44 O ATOM 0 H GLY B 79 1.418 7.996 -6.043 1.00 41.10 H new ATOM 0 HA2 GLY B 79 0.056 5.673 -4.848 1.00 65.14 H new ATOM 0 HA3 GLY B 79 1.170 5.489 -6.188 1.00 65.14 H new ATOM 3048 N TYR B 80 1.963 5.226 -3.382 1.00 54.52 N ATOM 3049 CA TYR B 80 3.022 4.952 -2.448 1.00 45.23 C ATOM 3050 C TYR B 80 2.907 3.538 -1.933 1.00 52.00 C ATOM 3051 O TYR B 80 1.801 3.020 -1.750 1.00 14.30 O ATOM 3052 CB TYR B 80 3.183 6.024 -1.342 1.00 52.22 C ATOM 3053 CG TYR B 80 1.956 6.352 -0.519 1.00 54.24 C ATOM 3054 CD1 TYR B 80 0.955 7.161 -1.028 1.00 73.13 C ATOM 3055 CD2 TYR B 80 1.822 5.883 0.774 1.00 75.03 C ATOM 3056 CE1 TYR B 80 -0.147 7.492 -0.277 1.00 34.43 C ATOM 3057 CE2 TYR B 80 0.716 6.203 1.540 1.00 2.24 C ATOM 3058 CZ TYR B 80 -0.265 7.013 1.009 1.00 42.12 C ATOM 3059 OH TYR B 80 -1.375 7.342 1.768 1.00 35.41 O ATOM 0 H TYR B 80 1.110 4.695 -3.205 1.00 54.52 H new ATOM 0 HA TYR B 80 3.966 5.024 -2.989 1.00 45.23 H new ATOM 0 HB2 TYR B 80 3.969 5.694 -0.662 1.00 52.22 H new ATOM 0 HB3 TYR B 80 3.533 6.944 -1.810 1.00 52.22 H new ATOM 0 HD1 TYR B 80 1.042 7.540 -2.036 1.00 73.13 H new ATOM 0 HD2 TYR B 80 2.594 5.256 1.194 1.00 75.03 H new ATOM 0 HE1 TYR B 80 -0.917 8.125 -0.693 1.00 34.43 H new ATOM 0 HE2 TYR B 80 0.622 5.821 2.546 1.00 2.24 H new ATOM 0 HH TYR B 80 -1.304 6.922 2.651 1.00 35.41 H new ATOM 3069 N ALA B 81 4.028 2.902 -1.727 1.00 52.21 N ATOM 3070 CA ALA B 81 4.045 1.509 -1.387 1.00 74.30 C ATOM 3071 C ALA B 81 4.951 1.255 -0.218 1.00 14.40 C ATOM 3072 O ALA B 81 5.864 2.001 0.028 1.00 53.43 O ATOM 3073 CB ALA B 81 4.491 0.683 -2.588 1.00 74.24 C ATOM 0 H ALA B 81 4.950 3.334 -1.790 1.00 52.21 H new ATOM 0 HA ALA B 81 3.035 1.212 -1.106 1.00 74.30 H new ATOM 0 HB1 ALA B 81 4.501 -0.373 -2.320 1.00 74.24 H new ATOM 0 HB2 ALA B 81 3.799 0.841 -3.415 1.00 74.24 H new ATOM 0 HB3 ALA B 81 5.493 0.990 -2.889 1.00 74.24 H new ATOM 3079 N TYR B 82 4.657 0.238 0.513 1.00 71.11 N ATOM 3080 CA TYR B 82 5.454 -0.170 1.641 1.00 13.32 C ATOM 3081 C TYR B 82 5.861 -1.596 1.457 1.00 23.10 C ATOM 3082 O TYR B 82 5.029 -2.430 1.117 1.00 34.41 O ATOM 3083 CB TYR B 82 4.648 -0.019 2.917 1.00 31.45 C ATOM 3084 CG TYR B 82 4.252 1.399 3.209 1.00 22.12 C ATOM 3085 CD1 TYR B 82 3.141 1.980 2.617 1.00 11.54 C ATOM 3086 CD2 TYR B 82 4.986 2.151 4.073 1.00 13.11 C ATOM 3087 CE1 TYR B 82 2.790 3.282 2.895 1.00 21.05 C ATOM 3088 CE2 TYR B 82 4.647 3.444 4.362 1.00 14.20 C ATOM 3089 CZ TYR B 82 3.545 4.007 3.770 1.00 0.52 C ATOM 3090 OH TYR B 82 3.209 5.313 4.051 1.00 14.21 O ATOM 0 H TYR B 82 3.842 -0.353 0.349 1.00 71.11 H new ATOM 0 HA TYR B 82 6.344 0.456 1.712 1.00 13.32 H new ATOM 0 HB2 TYR B 82 3.749 -0.632 2.845 1.00 31.45 H new ATOM 0 HB3 TYR B 82 5.230 -0.405 3.753 1.00 31.45 H new ATOM 0 HD1 TYR B 82 2.542 1.403 1.928 1.00 11.54 H new ATOM 0 HD2 TYR B 82 5.857 1.717 4.542 1.00 13.11 H new ATOM 0 HE1 TYR B 82 1.925 3.725 2.425 1.00 21.05 H new ATOM 0 HE2 TYR B 82 5.244 4.020 5.054 1.00 14.20 H new ATOM 0 HH TYR B 82 3.854 5.916 3.625 1.00 14.21 H new ATOM 3100 N ILE B 83 7.126 -1.875 1.611 1.00 24.55 N ATOM 3101 CA ILE B 83 7.614 -3.218 1.435 1.00 62.52 C ATOM 3102 C ILE B 83 8.103 -3.753 2.787 1.00 24.14 C ATOM 3103 O ILE B 83 8.978 -3.151 3.415 1.00 65.35 O ATOM 3104 CB ILE B 83 8.824 -3.231 0.450 1.00 73.20 C ATOM 3105 CG1 ILE B 83 8.542 -2.399 -0.824 1.00 53.42 C ATOM 3106 CG2 ILE B 83 9.182 -4.662 0.070 1.00 14.24 C ATOM 3107 CD1 ILE B 83 7.371 -2.867 -1.666 1.00 14.43 C ATOM 0 H ILE B 83 7.840 -1.190 1.858 1.00 24.55 H new ATOM 0 HA ILE B 83 6.807 -3.833 1.037 1.00 62.52 H new ATOM 0 HB ILE B 83 9.668 -2.772 0.965 1.00 73.20 H new ATOM 0 HG12 ILE B 83 8.364 -1.365 -0.529 1.00 53.42 H new ATOM 0 HG13 ILE B 83 9.438 -2.404 -1.445 1.00 53.42 H new ATOM 0 HG21 ILE B 83 10.028 -4.655 -0.618 1.00 14.24 H new ATOM 0 HG22 ILE B 83 9.448 -5.221 0.967 1.00 14.24 H new ATOM 0 HG23 ILE B 83 8.327 -5.135 -0.412 1.00 14.24 H new ATOM 0 HD11 ILE B 83 7.262 -2.215 -2.533 1.00 14.43 H new ATOM 0 HD12 ILE B 83 7.549 -3.889 -2.001 1.00 14.43 H new ATOM 0 HD13 ILE B 83 6.459 -2.834 -1.071 1.00 14.43 H new ATOM 3119 N GLU B 84 7.537 -4.842 3.233 1.00 5.15 N ATOM 3120 CA GLU B 84 7.963 -5.479 4.457 1.00 44.35 C ATOM 3121 C GLU B 84 8.860 -6.657 4.128 1.00 31.25 C ATOM 3122 O GLU B 84 8.435 -7.598 3.442 1.00 2.35 O ATOM 3123 CB GLU B 84 6.766 -5.974 5.302 1.00 42.33 C ATOM 3124 CG GLU B 84 5.885 -4.894 5.965 1.00 33.42 C ATOM 3125 CD GLU B 84 5.215 -3.920 5.014 1.00 23.45 C ATOM 3126 OE1 GLU B 84 4.099 -4.215 4.520 1.00 13.42 O ATOM 3127 OE2 GLU B 84 5.768 -2.828 4.805 1.00 24.10 O ATOM 0 H GLU B 84 6.767 -5.315 2.760 1.00 5.15 H new ATOM 0 HA GLU B 84 8.504 -4.737 5.044 1.00 44.35 H new ATOM 0 HB2 GLU B 84 6.129 -6.586 4.663 1.00 42.33 H new ATOM 0 HB3 GLU B 84 7.151 -6.626 6.086 1.00 42.33 H new ATOM 0 HG2 GLU B 84 5.112 -5.391 6.552 1.00 33.42 H new ATOM 0 HG3 GLU B 84 6.500 -4.327 6.663 1.00 33.42 H new ATOM 3134 N PHE B 85 10.073 -6.620 4.595 1.00 73.01 N ATOM 3135 CA PHE B 85 11.006 -7.700 4.371 1.00 73.30 C ATOM 3136 C PHE B 85 10.983 -8.649 5.520 1.00 53.33 C ATOM 3137 O PHE B 85 10.463 -8.332 6.564 1.00 11.00 O ATOM 3138 CB PHE B 85 12.428 -7.183 4.177 1.00 50.22 C ATOM 3139 CG PHE B 85 12.614 -6.383 2.940 1.00 12.32 C ATOM 3140 CD1 PHE B 85 12.970 -7.003 1.759 1.00 73.13 C ATOM 3141 CD2 PHE B 85 12.434 -5.016 2.950 1.00 52.01 C ATOM 3142 CE1 PHE B 85 13.143 -6.278 0.611 1.00 31.34 C ATOM 3143 CE2 PHE B 85 12.607 -4.284 1.804 1.00 73.31 C ATOM 3144 CZ PHE B 85 12.961 -4.917 0.633 1.00 53.31 C ATOM 0 H PHE B 85 10.449 -5.845 5.141 1.00 73.01 H new ATOM 0 HA PHE B 85 10.697 -8.213 3.460 1.00 73.30 H new ATOM 0 HB2 PHE B 85 12.703 -6.573 5.037 1.00 50.22 H new ATOM 0 HB3 PHE B 85 13.113 -8.031 4.156 1.00 50.22 H new ATOM 0 HD1 PHE B 85 13.114 -8.073 1.741 1.00 73.13 H new ATOM 0 HD2 PHE B 85 12.155 -4.519 3.867 1.00 52.01 H new ATOM 0 HE1 PHE B 85 13.421 -6.774 -0.307 1.00 31.34 H new ATOM 0 HE2 PHE B 85 12.466 -3.213 1.819 1.00 73.31 H new ATOM 0 HZ PHE B 85 13.096 -4.341 -0.271 1.00 53.31 H new ATOM 3154 N ALA B 86 11.490 -9.826 5.305 1.00 42.15 N ATOM 3155 CA ALA B 86 11.635 -10.783 6.359 1.00 42.23 C ATOM 3156 C ALA B 86 12.885 -10.501 7.167 1.00 32.24 C ATOM 3157 O ALA B 86 12.908 -10.711 8.374 1.00 1.30 O ATOM 3158 CB ALA B 86 11.675 -12.185 5.799 1.00 1.11 C ATOM 0 H ALA B 86 11.815 -10.149 4.394 1.00 42.15 H new ATOM 0 HA ALA B 86 10.772 -10.699 7.019 1.00 42.23 H new ATOM 0 HB1 ALA B 86 11.786 -12.900 6.615 1.00 1.11 H new ATOM 0 HB2 ALA B 86 10.749 -12.389 5.261 1.00 1.11 H new ATOM 0 HB3 ALA B 86 12.519 -12.280 5.116 1.00 1.11 H new ATOM 3164 N GLU B 87 13.922 -10.027 6.515 1.00 54.42 N ATOM 3165 CA GLU B 87 15.164 -9.754 7.217 1.00 0.44 C ATOM 3166 C GLU B 87 15.310 -8.274 7.535 1.00 51.34 C ATOM 3167 O GLU B 87 14.883 -7.406 6.760 1.00 12.13 O ATOM 3168 CB GLU B 87 16.410 -10.199 6.420 1.00 73.12 C ATOM 3169 CG GLU B 87 16.459 -11.643 5.902 1.00 71.35 C ATOM 3170 CD GLU B 87 15.433 -11.951 4.821 1.00 30.33 C ATOM 3171 OE1 GLU B 87 15.363 -11.205 3.805 1.00 50.24 O ATOM 3172 OE2 GLU B 87 14.717 -12.950 4.949 1.00 63.32 O ATOM 0 H GLU B 87 13.936 -9.824 5.516 1.00 54.42 H new ATOM 0 HA GLU B 87 15.108 -10.334 8.138 1.00 0.44 H new ATOM 0 HB2 GLU B 87 16.513 -9.534 5.563 1.00 73.12 H new ATOM 0 HB3 GLU B 87 17.284 -10.042 7.052 1.00 73.12 H new ATOM 0 HG2 GLU B 87 17.456 -11.843 5.509 1.00 71.35 H new ATOM 0 HG3 GLU B 87 16.304 -12.323 6.739 1.00 71.35 H new ATOM 3179 N ARG B 88 15.965 -8.002 8.654 1.00 52.41 N ATOM 3180 CA ARG B 88 16.249 -6.648 9.092 1.00 73.41 C ATOM 3181 C ARG B 88 17.377 -6.129 8.181 1.00 11.41 C ATOM 3182 O ARG B 88 17.461 -4.960 7.872 1.00 53.22 O ATOM 3183 CB ARG B 88 16.751 -6.683 10.553 1.00 42.04 C ATOM 3184 CG ARG B 88 16.366 -5.488 11.469 1.00 20.33 C ATOM 3185 CD ARG B 88 16.729 -4.106 10.925 1.00 73.52 C ATOM 3186 NE ARG B 88 18.174 -3.955 10.635 1.00 11.03 N ATOM 3187 CZ ARG B 88 18.725 -2.892 10.005 1.00 53.33 C ATOM 3188 NH1 ARG B 88 17.972 -1.847 9.673 1.00 34.31 N ATOM 3189 NH2 ARG B 88 20.031 -2.873 9.736 1.00 33.55 N ATOM 0 H ARG B 88 16.316 -8.721 9.286 1.00 52.41 H new ATOM 0 HA ARG B 88 15.365 -6.013 9.039 1.00 73.41 H new ATOM 0 HB2 ARG B 88 16.378 -7.596 11.016 1.00 42.04 H new ATOM 0 HB3 ARG B 88 17.838 -6.757 10.534 1.00 42.04 H new ATOM 0 HG2 ARG B 88 15.291 -5.520 11.647 1.00 20.33 H new ATOM 0 HG3 ARG B 88 16.853 -5.620 12.435 1.00 20.33 H new ATOM 0 HD2 ARG B 88 16.161 -3.920 10.014 1.00 73.52 H new ATOM 0 HD3 ARG B 88 16.429 -3.348 11.648 1.00 73.52 H new ATOM 0 HE ARG B 88 18.798 -4.706 10.931 1.00 11.03 H new ATOM 0 HH11 ARG B 88 16.976 -1.845 9.893 1.00 34.31 H new ATOM 0 HH12 ARG B 88 18.391 -1.047 9.198 1.00 34.31 H new ATOM 0 HH21 ARG B 88 20.619 -3.662 10.005 1.00 33.55 H new ATOM 0 HH22 ARG B 88 20.442 -2.070 9.261 1.00 33.55 H new ATOM 3203 N ASN B 89 18.238 -7.032 7.744 1.00 33.32 N ATOM 3204 CA ASN B 89 19.311 -6.651 6.838 1.00 60.44 C ATOM 3205 C ASN B 89 18.795 -6.337 5.456 1.00 70.23 C ATOM 3206 O ASN B 89 19.372 -5.514 4.748 1.00 40.25 O ATOM 3207 CB ASN B 89 20.449 -7.675 6.744 1.00 74.35 C ATOM 3208 CG ASN B 89 21.281 -7.799 8.011 1.00 0.41 C ATOM 3209 OD1 ASN B 89 22.168 -7.012 8.247 1.00 54.13 O ATOM 3210 ND2 ASN B 89 21.079 -8.805 8.764 1.00 24.43 N ATOM 0 H ASN B 89 18.218 -8.020 7.996 1.00 33.32 H new ATOM 0 HA ASN B 89 19.733 -5.749 7.282 1.00 60.44 H new ATOM 0 HB2 ASN B 89 20.026 -8.650 6.503 1.00 74.35 H new ATOM 0 HB3 ASN B 89 21.104 -7.399 5.918 1.00 74.35 H new ATOM 0 HD21 ASN B 89 21.670 -8.957 9.581 1.00 24.43 H new ATOM 0 HD22 ASN B 89 20.326 -9.459 8.550 1.00 24.43 H new ATOM 3217 N SER B 90 17.699 -6.963 5.060 1.00 10.31 N ATOM 3218 CA SER B 90 17.135 -6.739 3.755 1.00 61.31 C ATOM 3219 C SER B 90 16.496 -5.358 3.656 1.00 71.55 C ATOM 3220 O SER B 90 16.595 -4.696 2.625 1.00 53.22 O ATOM 3221 CB SER B 90 16.148 -7.841 3.434 1.00 73.53 C ATOM 3222 OG SER B 90 16.809 -9.100 3.469 1.00 4.05 O ATOM 0 H SER B 90 17.186 -7.633 5.633 1.00 10.31 H new ATOM 0 HA SER B 90 17.934 -6.765 3.014 1.00 61.31 H new ATOM 0 HB2 SER B 90 15.328 -7.829 4.153 1.00 73.53 H new ATOM 0 HB3 SER B 90 15.711 -7.676 2.449 1.00 73.53 H new ATOM 0 HG SER B 90 16.143 -9.818 3.507 1.00 4.05 H new ATOM 3228 N VAL B 91 15.864 -4.907 4.742 1.00 42.22 N ATOM 3229 CA VAL B 91 15.280 -3.574 4.749 1.00 1.04 C ATOM 3230 C VAL B 91 16.413 -2.541 4.651 1.00 73.34 C ATOM 3231 O VAL B 91 16.295 -1.522 3.961 1.00 1.10 O ATOM 3232 CB VAL B 91 14.376 -3.292 6.006 1.00 32.12 C ATOM 3233 CG1 VAL B 91 15.130 -3.303 7.289 1.00 31.43 C ATOM 3234 CG2 VAL B 91 13.630 -2.002 5.865 1.00 10.35 C ATOM 0 H VAL B 91 15.747 -5.435 5.607 1.00 42.22 H new ATOM 0 HA VAL B 91 14.615 -3.498 3.889 1.00 1.04 H new ATOM 0 HB VAL B 91 13.664 -4.117 6.044 1.00 32.12 H new ATOM 0 HG11 VAL B 91 14.447 -3.102 8.114 1.00 31.43 H new ATOM 0 HG12 VAL B 91 15.593 -4.280 7.431 1.00 31.43 H new ATOM 0 HG13 VAL B 91 15.904 -2.535 7.263 1.00 31.43 H new ATOM 0 HG21 VAL B 91 13.016 -1.838 6.750 1.00 10.35 H new ATOM 0 HG22 VAL B 91 14.339 -1.181 5.759 1.00 10.35 H new ATOM 0 HG23 VAL B 91 12.991 -2.046 4.983 1.00 10.35 H new ATOM 3244 N ASP B 92 17.532 -2.847 5.329 1.00 34.42 N ATOM 3245 CA ASP B 92 18.725 -1.999 5.339 1.00 31.24 C ATOM 3246 C ASP B 92 19.311 -1.909 3.924 1.00 1.12 C ATOM 3247 O ASP B 92 19.850 -0.884 3.515 1.00 42.24 O ATOM 3248 CB ASP B 92 19.761 -2.612 6.291 1.00 13.23 C ATOM 3249 CG ASP B 92 20.953 -1.718 6.559 1.00 1.43 C ATOM 3250 OD1 ASP B 92 21.898 -1.684 5.751 1.00 60.34 O ATOM 3251 OD2 ASP B 92 20.965 -1.055 7.619 1.00 10.44 O ATOM 0 H ASP B 92 17.630 -3.695 5.887 1.00 34.42 H new ATOM 0 HA ASP B 92 18.461 -0.996 5.676 1.00 31.24 H new ATOM 0 HB2 ASP B 92 19.275 -2.847 7.238 1.00 13.23 H new ATOM 0 HB3 ASP B 92 20.113 -3.554 5.871 1.00 13.23 H new ATOM 3256 N ALA B 93 19.183 -2.987 3.181 1.00 41.41 N ATOM 3257 CA ALA B 93 19.650 -3.036 1.808 1.00 75.14 C ATOM 3258 C ALA B 93 18.730 -2.217 0.898 1.00 64.45 C ATOM 3259 O ALA B 93 19.175 -1.623 -0.085 1.00 13.24 O ATOM 3260 CB ALA B 93 19.740 -4.475 1.327 1.00 71.22 C ATOM 0 H ALA B 93 18.754 -3.853 3.508 1.00 41.41 H new ATOM 0 HA ALA B 93 20.648 -2.599 1.767 1.00 75.14 H new ATOM 0 HB1 ALA B 93 20.092 -4.493 0.295 1.00 71.22 H new ATOM 0 HB2 ALA B 93 20.437 -5.026 1.958 1.00 71.22 H new ATOM 0 HB3 ALA B 93 18.755 -4.939 1.382 1.00 71.22 H new ATOM 3266 N ALA B 94 17.457 -2.168 1.254 1.00 74.54 N ATOM 3267 CA ALA B 94 16.465 -1.448 0.466 1.00 33.05 C ATOM 3268 C ALA B 94 16.620 0.058 0.663 1.00 64.24 C ATOM 3269 O ALA B 94 16.591 0.817 -0.292 1.00 1.24 O ATOM 3270 CB ALA B 94 15.059 -1.901 0.826 1.00 13.32 C ATOM 0 H ALA B 94 17.083 -2.620 2.088 1.00 74.54 H new ATOM 0 HA ALA B 94 16.631 -1.674 -0.587 1.00 33.05 H new ATOM 0 HB1 ALA B 94 14.335 -1.351 0.226 1.00 13.32 H new ATOM 0 HB2 ALA B 94 14.959 -2.968 0.628 1.00 13.32 H new ATOM 0 HB3 ALA B 94 14.875 -1.710 1.883 1.00 13.32 H new ATOM 3276 N VAL B 95 16.793 0.476 1.915 1.00 25.21 N ATOM 3277 CA VAL B 95 17.020 1.902 2.252 1.00 74.04 C ATOM 3278 C VAL B 95 18.259 2.475 1.560 1.00 3.10 C ATOM 3279 O VAL B 95 18.377 3.671 1.394 1.00 53.02 O ATOM 3280 CB VAL B 95 17.087 2.192 3.780 1.00 5.33 C ATOM 3281 CG1 VAL B 95 15.838 1.727 4.472 1.00 2.33 C ATOM 3282 CG2 VAL B 95 18.322 1.598 4.428 1.00 23.34 C ATOM 0 H VAL B 95 16.782 -0.146 2.724 1.00 25.21 H new ATOM 0 HA VAL B 95 16.135 2.410 1.870 1.00 74.04 H new ATOM 0 HB VAL B 95 17.160 3.274 3.894 1.00 5.33 H new ATOM 0 HG11 VAL B 95 15.911 1.942 5.538 1.00 2.33 H new ATOM 0 HG12 VAL B 95 14.976 2.248 4.055 1.00 2.33 H new ATOM 0 HG13 VAL B 95 15.719 0.653 4.325 1.00 2.33 H new ATOM 0 HG21 VAL B 95 18.321 1.829 5.493 1.00 23.34 H new ATOM 0 HG22 VAL B 95 18.320 0.517 4.291 1.00 23.34 H new ATOM 0 HG23 VAL B 95 19.214 2.021 3.966 1.00 23.34 H new ATOM 3292 N ALA B 96 19.187 1.613 1.166 1.00 64.13 N ATOM 3293 CA ALA B 96 20.376 2.052 0.447 1.00 25.33 C ATOM 3294 C ALA B 96 20.020 2.525 -0.970 1.00 24.21 C ATOM 3295 O ALA B 96 20.760 3.268 -1.612 1.00 42.50 O ATOM 3296 CB ALA B 96 21.401 0.943 0.397 1.00 34.43 C ATOM 0 H ALA B 96 19.140 0.608 1.332 1.00 64.13 H new ATOM 0 HA ALA B 96 20.805 2.897 0.985 1.00 25.33 H new ATOM 0 HB1 ALA B 96 22.283 1.287 -0.143 1.00 34.43 H new ATOM 0 HB2 ALA B 96 21.684 0.663 1.412 1.00 34.43 H new ATOM 0 HB3 ALA B 96 20.977 0.078 -0.114 1.00 34.43 H new ATOM 3302 N MET B 97 18.852 2.107 -1.403 1.00 73.35 N ATOM 3303 CA MET B 97 18.320 2.412 -2.718 1.00 40.12 C ATOM 3304 C MET B 97 17.318 3.601 -2.603 1.00 2.04 C ATOM 3305 O MET B 97 16.606 3.944 -3.551 1.00 1.14 O ATOM 3306 CB MET B 97 17.665 1.118 -3.302 1.00 4.32 C ATOM 3307 CG MET B 97 17.103 1.241 -4.705 1.00 23.53 C ATOM 3308 SD MET B 97 16.498 -0.317 -5.407 1.00 63.14 S ATOM 3309 CE MET B 97 15.333 -0.840 -4.165 1.00 32.31 C ATOM 0 H MET B 97 18.228 1.531 -0.838 1.00 73.35 H new ATOM 0 HA MET B 97 19.107 2.724 -3.405 1.00 40.12 H new ATOM 0 HB2 MET B 97 18.410 0.322 -3.297 1.00 4.32 H new ATOM 0 HB3 MET B 97 16.861 0.807 -2.635 1.00 4.32 H new ATOM 0 HG2 MET B 97 16.286 1.962 -4.694 1.00 23.53 H new ATOM 0 HG3 MET B 97 17.876 1.645 -5.359 1.00 23.53 H new ATOM 0 HE1 MET B 97 14.844 -1.759 -4.489 1.00 32.31 H new ATOM 0 HE2 MET B 97 15.858 -1.020 -3.227 1.00 32.31 H new ATOM 0 HE3 MET B 97 14.584 -0.062 -4.018 1.00 32.31 H new ATOM 3319 N ASP B 98 17.345 4.240 -1.425 1.00 44.33 N ATOM 3320 CA ASP B 98 16.485 5.392 -1.030 1.00 63.12 C ATOM 3321 C ASP B 98 16.126 6.389 -2.116 1.00 4.12 C ATOM 3322 O ASP B 98 14.960 6.538 -2.403 1.00 51.54 O ATOM 3323 CB ASP B 98 17.153 6.131 0.138 1.00 1.11 C ATOM 3324 CG ASP B 98 16.501 7.453 0.524 1.00 51.51 C ATOM 3325 OD1 ASP B 98 15.571 7.458 1.335 1.00 4.24 O ATOM 3326 OD2 ASP B 98 16.951 8.516 0.050 1.00 52.10 O ATOM 0 H ASP B 98 17.989 3.966 -0.683 1.00 44.33 H new ATOM 0 HA ASP B 98 15.530 4.942 -0.759 1.00 63.12 H new ATOM 0 HB2 ASP B 98 17.154 5.476 1.009 1.00 1.11 H new ATOM 0 HB3 ASP B 98 18.195 6.319 -0.120 1.00 1.11 H new ATOM 3331 N GLU B 99 17.078 7.055 -2.722 1.00 43.01 N ATOM 3332 CA GLU B 99 16.718 8.091 -3.677 1.00 43.42 C ATOM 3333 C GLU B 99 17.194 7.717 -5.084 1.00 41.43 C ATOM 3334 O GLU B 99 17.572 8.566 -5.896 1.00 11.43 O ATOM 3335 CB GLU B 99 17.312 9.420 -3.197 1.00 32.31 C ATOM 3336 CG GLU B 99 16.807 10.645 -3.932 1.00 73.11 C ATOM 3337 CD GLU B 99 17.352 11.911 -3.369 1.00 52.41 C ATOM 3338 OE1 GLU B 99 18.443 12.332 -3.783 1.00 71.53 O ATOM 3339 OE2 GLU B 99 16.687 12.516 -2.493 1.00 64.34 O ATOM 0 H GLU B 99 18.078 6.911 -2.583 1.00 43.01 H new ATOM 0 HA GLU B 99 15.634 8.194 -3.736 1.00 43.42 H new ATOM 0 HB2 GLU B 99 17.095 9.536 -2.135 1.00 32.31 H new ATOM 0 HB3 GLU B 99 18.396 9.375 -3.298 1.00 32.31 H new ATOM 0 HG2 GLU B 99 17.080 10.572 -4.985 1.00 73.11 H new ATOM 0 HG3 GLU B 99 15.718 10.669 -3.886 1.00 73.11 H new ATOM 3346 N THR B 100 17.151 6.449 -5.377 1.00 74.13 N ATOM 3347 CA THR B 100 17.525 5.981 -6.696 1.00 31.52 C ATOM 3348 C THR B 100 16.399 6.233 -7.713 1.00 42.35 C ATOM 3349 O THR B 100 15.358 6.837 -7.392 1.00 32.30 O ATOM 3350 CB THR B 100 17.866 4.489 -6.687 1.00 62.41 C ATOM 3351 OG1 THR B 100 16.733 3.744 -6.216 1.00 73.44 O ATOM 3352 CG2 THR B 100 19.077 4.212 -5.809 1.00 11.34 C ATOM 0 H THR B 100 16.863 5.717 -4.728 1.00 74.13 H new ATOM 0 HA THR B 100 18.411 6.544 -6.990 1.00 31.52 H new ATOM 0 HB THR B 100 18.110 4.180 -7.703 1.00 62.41 H new ATOM 0 HG1 THR B 100 16.526 4.010 -5.296 1.00 73.44 H new ATOM 0 HG21 THR B 100 19.298 3.145 -5.820 1.00 11.34 H new ATOM 0 HG22 THR B 100 19.936 4.764 -6.189 1.00 11.34 H new ATOM 0 HG23 THR B 100 18.866 4.528 -4.787 1.00 11.34 H new ATOM 3360 N VAL B 101 16.596 5.761 -8.911 1.00 70.12 N ATOM 3361 CA VAL B 101 15.637 5.932 -9.953 1.00 71.23 C ATOM 3362 C VAL B 101 14.866 4.619 -10.155 1.00 54.35 C ATOM 3363 O VAL B 101 15.447 3.526 -10.135 1.00 34.13 O ATOM 3364 CB VAL B 101 16.324 6.399 -11.275 1.00 12.15 C ATOM 3365 CG1 VAL B 101 17.356 5.398 -11.726 1.00 63.15 C ATOM 3366 CG2 VAL B 101 15.308 6.666 -12.380 1.00 63.42 C ATOM 0 H VAL B 101 17.431 5.245 -9.189 1.00 70.12 H new ATOM 0 HA VAL B 101 14.932 6.712 -9.667 1.00 71.23 H new ATOM 0 HB VAL B 101 16.828 7.342 -11.063 1.00 12.15 H new ATOM 0 HG11 VAL B 101 17.821 5.745 -12.649 1.00 63.15 H new ATOM 0 HG12 VAL B 101 18.118 5.289 -10.955 1.00 63.15 H new ATOM 0 HG13 VAL B 101 16.876 4.435 -11.901 1.00 63.15 H new ATOM 0 HG21 VAL B 101 15.828 6.989 -13.282 1.00 63.42 H new ATOM 0 HG22 VAL B 101 14.750 5.753 -12.590 1.00 63.42 H new ATOM 0 HG23 VAL B 101 14.619 7.447 -12.059 1.00 63.42 H new ATOM 3376 N PHE B 102 13.581 4.735 -10.283 1.00 74.45 N ATOM 3377 CA PHE B 102 12.698 3.626 -10.496 1.00 51.13 C ATOM 3378 C PHE B 102 11.610 4.053 -11.459 1.00 31.20 C ATOM 3379 O PHE B 102 10.984 5.097 -11.262 1.00 44.11 O ATOM 3380 CB PHE B 102 12.096 3.188 -9.155 1.00 63.24 C ATOM 3381 CG PHE B 102 11.071 2.090 -9.231 1.00 42.51 C ATOM 3382 CD1 PHE B 102 11.455 0.771 -9.261 1.00 61.13 C ATOM 3383 CD2 PHE B 102 9.720 2.391 -9.262 1.00 22.52 C ATOM 3384 CE1 PHE B 102 10.514 -0.237 -9.322 1.00 51.14 C ATOM 3385 CE2 PHE B 102 8.778 1.393 -9.324 1.00 34.24 C ATOM 3386 CZ PHE B 102 9.176 0.074 -9.354 1.00 30.01 C ATOM 0 H PHE B 102 13.100 5.633 -10.241 1.00 74.45 H new ATOM 0 HA PHE B 102 13.241 2.781 -10.920 1.00 51.13 H new ATOM 0 HB2 PHE B 102 12.906 2.860 -8.503 1.00 63.24 H new ATOM 0 HB3 PHE B 102 11.638 4.056 -8.682 1.00 63.24 H new ATOM 0 HD1 PHE B 102 12.505 0.520 -9.237 1.00 61.13 H new ATOM 0 HD2 PHE B 102 9.403 3.423 -9.237 1.00 22.52 H new ATOM 0 HE1 PHE B 102 10.829 -1.270 -9.345 1.00 51.14 H new ATOM 0 HE2 PHE B 102 7.727 1.642 -9.349 1.00 34.24 H new ATOM 0 HZ PHE B 102 8.438 -0.713 -9.403 1.00 30.01 H new ATOM 3396 N ARG B 103 11.417 3.268 -12.506 1.00 41.21 N ATOM 3397 CA ARG B 103 10.415 3.515 -13.552 1.00 30.43 C ATOM 3398 C ARG B 103 10.628 4.919 -14.185 1.00 1.24 C ATOM 3399 O ARG B 103 9.698 5.575 -14.646 1.00 1.23 O ATOM 3400 CB ARG B 103 8.995 3.360 -12.967 1.00 72.31 C ATOM 3401 CG ARG B 103 7.918 3.191 -14.026 1.00 5.35 C ATOM 3402 CD ARG B 103 6.540 3.055 -13.419 1.00 51.14 C ATOM 3403 NE ARG B 103 5.523 2.800 -14.445 1.00 45.15 N ATOM 3404 CZ ARG B 103 4.694 3.722 -14.944 1.00 11.40 C ATOM 3405 NH1 ARG B 103 4.863 4.998 -14.641 1.00 22.43 N ATOM 3406 NH2 ARG B 103 3.741 3.369 -15.796 1.00 12.11 N ATOM 0 H ARG B 103 11.961 2.420 -12.664 1.00 41.21 H new ATOM 0 HA ARG B 103 10.532 2.778 -14.346 1.00 30.43 H new ATOM 0 HB2 ARG B 103 8.977 2.497 -12.301 1.00 72.31 H new ATOM 0 HB3 ARG B 103 8.763 4.236 -12.361 1.00 72.31 H new ATOM 0 HG2 ARG B 103 7.934 4.048 -14.699 1.00 5.35 H new ATOM 0 HG3 ARG B 103 8.137 2.309 -14.628 1.00 5.35 H new ATOM 0 HD2 ARG B 103 6.539 2.241 -12.694 1.00 51.14 H new ATOM 0 HD3 ARG B 103 6.289 3.966 -12.875 1.00 51.14 H new ATOM 0 HE ARG B 103 5.443 1.849 -14.804 1.00 45.15 H new ATOM 0 HH11 ARG B 103 5.627 5.279 -14.026 1.00 22.43 H new ATOM 0 HH12 ARG B 103 4.230 5.701 -15.022 1.00 22.43 H new ATOM 0 HH21 ARG B 103 3.640 2.392 -16.072 1.00 12.11 H new ATOM 0 HH22 ARG B 103 3.109 4.074 -16.176 1.00 12.11 H new ATOM 3420 N GLY B 104 11.883 5.321 -14.247 1.00 31.32 N ATOM 3421 CA GLY B 104 12.255 6.587 -14.852 1.00 74.25 C ATOM 3422 C GLY B 104 12.082 7.797 -13.941 1.00 21.51 C ATOM 3423 O GLY B 104 12.270 8.927 -14.382 1.00 1.05 O ATOM 0 H GLY B 104 12.669 4.784 -13.882 1.00 31.32 H new ATOM 0 HA2 GLY B 104 13.297 6.532 -15.168 1.00 74.25 H new ATOM 0 HA3 GLY B 104 11.656 6.736 -15.751 1.00 74.25 H new ATOM 3427 N ARG B 105 11.731 7.581 -12.692 1.00 1.12 N ATOM 3428 CA ARG B 105 11.565 8.685 -11.752 1.00 43.25 C ATOM 3429 C ARG B 105 12.348 8.409 -10.487 1.00 34.33 C ATOM 3430 O ARG B 105 12.774 7.290 -10.262 1.00 11.21 O ATOM 3431 CB ARG B 105 10.089 8.927 -11.422 1.00 41.20 C ATOM 3432 CG ARG B 105 9.388 7.737 -10.793 1.00 3.55 C ATOM 3433 CD ARG B 105 7.967 8.069 -10.410 1.00 44.20 C ATOM 3434 NE ARG B 105 7.150 8.472 -11.550 1.00 22.32 N ATOM 3435 CZ ARG B 105 5.901 8.930 -11.454 1.00 61.41 C ATOM 3436 NH1 ARG B 105 5.332 9.090 -10.251 1.00 24.42 N ATOM 3437 NH2 ARG B 105 5.230 9.240 -12.556 1.00 61.42 N ATOM 0 H ARG B 105 11.554 6.657 -12.298 1.00 1.12 H new ATOM 0 HA ARG B 105 11.950 9.589 -12.224 1.00 43.25 H new ATOM 0 HB2 ARG B 105 10.015 9.778 -10.745 1.00 41.20 H new ATOM 0 HB3 ARG B 105 9.564 9.201 -12.337 1.00 41.20 H new ATOM 0 HG2 ARG B 105 9.391 6.901 -11.492 1.00 3.55 H new ATOM 0 HG3 ARG B 105 9.938 7.415 -9.909 1.00 3.55 H new ATOM 0 HD2 ARG B 105 7.513 7.201 -9.933 1.00 44.20 H new ATOM 0 HD3 ARG B 105 7.973 8.871 -9.672 1.00 44.20 H new ATOM 0 HE ARG B 105 7.561 8.399 -12.481 1.00 22.32 H new ATOM 0 HH11 ARG B 105 5.854 8.861 -9.405 1.00 24.42 H new ATOM 0 HH12 ARG B 105 4.377 9.440 -10.181 1.00 24.42 H new ATOM 0 HH21 ARG B 105 5.670 9.128 -13.469 1.00 61.42 H new ATOM 0 HH22 ARG B 105 4.275 9.591 -12.490 1.00 61.42 H new ATOM 3451 N THR B 106 12.528 9.403 -9.676 1.00 1.21 N ATOM 3452 CA THR B 106 13.278 9.258 -8.463 1.00 30.31 C ATOM 3453 C THR B 106 12.336 8.873 -7.312 1.00 35.23 C ATOM 3454 O THR B 106 11.364 9.587 -7.027 1.00 40.04 O ATOM 3455 CB THR B 106 13.996 10.579 -8.141 1.00 21.21 C ATOM 3456 OG1 THR B 106 14.764 10.985 -9.291 1.00 63.32 O ATOM 3457 CG2 THR B 106 14.934 10.411 -6.961 1.00 54.24 C ATOM 0 H THR B 106 12.159 10.341 -9.834 1.00 1.21 H new ATOM 0 HA THR B 106 14.021 8.470 -8.588 1.00 30.31 H new ATOM 0 HB THR B 106 13.248 11.331 -7.890 1.00 21.21 H new ATOM 0 HG1 THR B 106 15.224 11.828 -9.096 1.00 63.32 H new ATOM 0 HG21 THR B 106 15.430 11.359 -6.753 1.00 54.24 H new ATOM 0 HG22 THR B 106 14.365 10.099 -6.085 1.00 54.24 H new ATOM 0 HG23 THR B 106 15.682 9.654 -7.196 1.00 54.24 H new ATOM 3465 N ILE B 107 12.610 7.759 -6.673 1.00 73.21 N ATOM 3466 CA ILE B 107 11.776 7.293 -5.560 1.00 55.10 C ATOM 3467 C ILE B 107 12.407 7.598 -4.221 1.00 74.03 C ATOM 3468 O ILE B 107 13.514 8.140 -4.154 1.00 51.14 O ATOM 3469 CB ILE B 107 11.474 5.774 -5.633 1.00 72.12 C ATOM 3470 CG1 ILE B 107 12.787 4.948 -5.645 1.00 41.34 C ATOM 3471 CG2 ILE B 107 10.600 5.469 -6.845 1.00 20.33 C ATOM 3472 CD1 ILE B 107 12.587 3.439 -5.600 1.00 71.14 C ATOM 0 H ILE B 107 13.399 7.152 -6.895 1.00 73.21 H new ATOM 0 HA ILE B 107 10.837 7.839 -5.655 1.00 55.10 H new ATOM 0 HB ILE B 107 10.921 5.482 -4.740 1.00 72.12 H new ATOM 0 HG12 ILE B 107 13.351 5.200 -6.543 1.00 41.34 H new ATOM 0 HG13 ILE B 107 13.396 5.246 -4.792 1.00 41.34 H new ATOM 0 HG21 ILE B 107 10.395 4.399 -6.886 1.00 20.33 H new ATOM 0 HG22 ILE B 107 9.661 6.016 -6.763 1.00 20.33 H new ATOM 0 HG23 ILE B 107 11.119 5.774 -7.754 1.00 20.33 H new ATOM 0 HD11 ILE B 107 13.557 2.943 -5.612 1.00 71.14 H new ATOM 0 HD12 ILE B 107 12.053 3.170 -4.689 1.00 71.14 H new ATOM 0 HD13 ILE B 107 12.007 3.123 -6.467 1.00 71.14 H new ATOM 3484 N LYS B 108 11.656 7.333 -3.165 1.00 43.35 N ATOM 3485 CA LYS B 108 12.088 7.583 -1.813 1.00 21.42 C ATOM 3486 C LYS B 108 11.831 6.321 -0.987 1.00 70.33 C ATOM 3487 O LYS B 108 10.693 5.873 -0.918 1.00 2.15 O ATOM 3488 CB LYS B 108 11.281 8.776 -1.272 1.00 24.51 C ATOM 3489 CG LYS B 108 11.642 9.263 0.108 1.00 70.23 C ATOM 3490 CD LYS B 108 13.118 9.474 0.294 1.00 63.10 C ATOM 3491 CE LYS B 108 13.416 9.768 1.750 1.00 14.33 C ATOM 3492 NZ LYS B 108 14.853 9.881 2.000 1.00 63.35 N ATOM 0 H LYS B 108 10.720 6.934 -3.230 1.00 43.35 H new ATOM 0 HA LYS B 108 13.150 7.822 -1.763 1.00 21.42 H new ATOM 0 HB2 LYS B 108 11.394 9.608 -1.967 1.00 24.51 H new ATOM 0 HB3 LYS B 108 10.226 8.502 -1.272 1.00 24.51 H new ATOM 0 HG2 LYS B 108 11.120 10.200 0.304 1.00 70.23 H new ATOM 0 HG3 LYS B 108 11.289 8.541 0.845 1.00 70.23 H new ATOM 0 HD2 LYS B 108 13.664 8.587 -0.026 1.00 63.10 H new ATOM 0 HD3 LYS B 108 13.458 10.300 -0.330 1.00 63.10 H new ATOM 0 HE2 LYS B 108 12.923 10.695 2.042 1.00 14.33 H new ATOM 0 HE3 LYS B 108 13.000 8.976 2.373 1.00 14.33 H new ATOM 0 HZ1 LYS B 108 15.010 10.325 2.927 1.00 63.35 H new ATOM 0 HZ2 LYS B 108 15.282 8.934 1.993 1.00 63.35 H new ATOM 0 HZ3 LYS B 108 15.290 10.464 1.258 1.00 63.35 H new ATOM 3506 N VAL B 109 12.885 5.746 -0.397 1.00 12.21 N ATOM 3507 CA VAL B 109 12.777 4.505 0.386 1.00 50.23 C ATOM 3508 C VAL B 109 13.396 4.708 1.776 1.00 61.23 C ATOM 3509 O VAL B 109 14.599 4.904 1.890 1.00 13.12 O ATOM 3510 CB VAL B 109 13.517 3.299 -0.297 1.00 73.42 C ATOM 3511 CG1 VAL B 109 13.306 2.011 0.469 1.00 41.41 C ATOM 3512 CG2 VAL B 109 13.117 3.124 -1.746 1.00 34.31 C ATOM 0 H VAL B 109 13.832 6.123 -0.447 1.00 12.21 H new ATOM 0 HA VAL B 109 11.714 4.272 0.455 1.00 50.23 H new ATOM 0 HB VAL B 109 14.580 3.541 -0.277 1.00 73.42 H new ATOM 0 HG11 VAL B 109 13.832 1.199 -0.033 1.00 41.41 H new ATOM 0 HG12 VAL B 109 13.692 2.123 1.482 1.00 41.41 H new ATOM 0 HG13 VAL B 109 12.241 1.782 0.510 1.00 41.41 H new ATOM 0 HG21 VAL B 109 13.656 2.278 -2.173 1.00 34.31 H new ATOM 0 HG22 VAL B 109 12.045 2.939 -1.808 1.00 34.31 H new ATOM 0 HG23 VAL B 109 13.362 4.028 -2.303 1.00 34.31 H new ATOM 3522 N LEU B 110 12.602 4.619 2.819 1.00 3.51 N ATOM 3523 CA LEU B 110 13.116 4.803 4.177 1.00 2.33 C ATOM 3524 C LEU B 110 12.311 3.879 5.097 1.00 22.12 C ATOM 3525 O LEU B 110 11.193 3.516 4.736 1.00 54.31 O ATOM 3526 CB LEU B 110 13.104 6.328 4.637 1.00 72.04 C ATOM 3527 CG LEU B 110 11.760 7.031 5.001 1.00 72.12 C ATOM 3528 CD1 LEU B 110 10.677 6.880 3.976 1.00 14.23 C ATOM 3529 CD2 LEU B 110 11.291 6.700 6.402 1.00 23.10 C ATOM 0 H LEU B 110 11.603 4.422 2.765 1.00 3.51 H new ATOM 0 HA LEU B 110 14.170 4.530 4.223 1.00 2.33 H new ATOM 0 HB2 LEU B 110 13.755 6.407 5.507 1.00 72.04 H new ATOM 0 HB3 LEU B 110 13.566 6.909 3.839 1.00 72.04 H new ATOM 0 HG LEU B 110 11.996 8.095 4.990 1.00 72.12 H new ATOM 0 HD11 LEU B 110 9.781 7.401 4.314 1.00 14.23 H new ATOM 0 HD12 LEU B 110 11.009 7.307 3.030 1.00 14.23 H new ATOM 0 HD13 LEU B 110 10.452 5.823 3.838 1.00 14.23 H new ATOM 0 HD21 LEU B 110 10.352 7.216 6.603 1.00 23.10 H new ATOM 0 HD22 LEU B 110 11.140 5.624 6.491 1.00 23.10 H new ATOM 0 HD23 LEU B 110 12.043 7.022 7.123 1.00 23.10 H new ATOM 3541 N PRO B 111 12.850 3.467 6.268 1.00 12.31 N ATOM 3542 CA PRO B 111 12.173 2.510 7.163 1.00 61.12 C ATOM 3543 C PRO B 111 10.857 3.028 7.702 1.00 72.35 C ATOM 3544 O PRO B 111 10.756 4.164 8.175 1.00 23.11 O ATOM 3545 CB PRO B 111 13.158 2.313 8.311 1.00 43.33 C ATOM 3546 CG PRO B 111 14.453 2.776 7.770 1.00 30.20 C ATOM 3547 CD PRO B 111 14.134 3.888 6.825 1.00 11.51 C ATOM 0 HA PRO B 111 11.923 1.593 6.629 1.00 61.12 H new ATOM 0 HB2 PRO B 111 12.865 2.890 9.189 1.00 43.33 H new ATOM 0 HB3 PRO B 111 13.207 1.268 8.618 1.00 43.33 H new ATOM 0 HG2 PRO B 111 15.109 3.120 8.570 1.00 30.20 H new ATOM 0 HG3 PRO B 111 14.973 1.967 7.258 1.00 30.20 H new ATOM 0 HD2 PRO B 111 14.060 4.848 7.337 1.00 11.51 H new ATOM 0 HD3 PRO B 111 14.896 3.996 6.053 1.00 11.51 H new ATOM 3555 N LYS B 112 9.875 2.192 7.659 1.00 30.52 N ATOM 3556 CA LYS B 112 8.563 2.532 8.114 1.00 32.34 C ATOM 3557 C LYS B 112 8.366 1.839 9.424 1.00 11.13 C ATOM 3558 O LYS B 112 8.481 0.629 9.480 1.00 70.35 O ATOM 3559 CB LYS B 112 7.542 2.035 7.072 1.00 74.14 C ATOM 3560 CG LYS B 112 6.085 2.488 7.272 1.00 31.23 C ATOM 3561 CD LYS B 112 5.335 1.782 8.404 1.00 34.24 C ATOM 3562 CE LYS B 112 5.240 0.273 8.174 1.00 10.01 C ATOM 3563 NZ LYS B 112 4.697 -0.068 6.831 1.00 22.14 N ATOM 0 H LYS B 112 9.959 1.240 7.303 1.00 30.52 H new ATOM 0 HA LYS B 112 8.433 3.607 8.238 1.00 32.34 H new ATOM 0 HB2 LYS B 112 7.871 2.366 6.087 1.00 74.14 H new ATOM 0 HB3 LYS B 112 7.563 0.945 7.066 1.00 74.14 H new ATOM 0 HG2 LYS B 112 6.078 3.561 7.466 1.00 31.23 H new ATOM 0 HG3 LYS B 112 5.540 2.329 6.341 1.00 31.23 H new ATOM 0 HD2 LYS B 112 5.842 1.973 9.350 1.00 34.24 H new ATOM 0 HD3 LYS B 112 4.332 2.200 8.490 1.00 34.24 H new ATOM 0 HE2 LYS B 112 6.229 -0.171 8.285 1.00 10.01 H new ATOM 0 HE3 LYS B 112 4.604 -0.169 8.942 1.00 10.01 H new ATOM 0 HZ1 LYS B 112 3.974 -0.809 6.927 1.00 22.14 H new ATOM 0 HZ2 LYS B 112 4.270 0.779 6.404 1.00 22.14 H new ATOM 0 HZ3 LYS B 112 5.467 -0.412 6.222 1.00 22.14 H new