USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1292 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 44 THR OG1 : rot -2:sc= 1.68 USER MOD Set 1.2: D 53 THR OG1 : rot 52:sc= -1.01 USER MOD Set 2.1: A 3 TYR OH : rot -74:sc= -2.26! USER MOD Set 2.2: D 50 LYS NZ :NH3+ -149:sc= 0.00158 (180deg=0) USER MOD Set 3.1: B 3 TYR OH : rot -74:sc= -2.12! USER MOD Set 3.2: C 50 LYS NZ :NH3+ -149:sc= 0.00519 (180deg=0) USER MOD Set 4.1: B 53 THR OG1 : rot 58:sc= -0.984 USER MOD Set 4.2: D 44 THR OG1 : rot 13:sc= 1.63 USER MOD Set 5.1: B 50 LYS NZ :NH3+ -147:sc= 0.00366 (180deg=0) USER MOD Set 5.2: C 3 TYR OH : rot -77:sc= -2.26! USER MOD Set 6.1: A 53 THR OG1 : rot 62:sc= -1.12 USER MOD Set 6.2: C 44 THR OG1 : rot 12:sc= 1.77 USER MOD Set 7.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: D 3 TYR OH : rot -63:sc= -2.28! USER MOD Set 8.1: A 44 THR OG1 : rot 12:sc= 1.8 USER MOD Set 8.2: C 53 THR OG1 : rot 57:sc= -0.832 USER MOD Single : A 1 MET CE :methyl 153:sc= -3.31 (180deg=-3.7) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.051) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 35 ASN : amide:sc= -4.09! K(o=-4.1!,f=-1.9) USER MOD Single : A 37 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.7) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 165:sc= -1.12 USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.622 USER MOD Single : B 1 MET CE :methyl 156:sc= -3.52 (180deg=-3.88) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.059) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.126 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : B 35 ASN : amide:sc= -4.08! K(o=-4.1!,f=-2) USER MOD Single : B 37 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.69) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 165:sc= -1.19 USER MOD Single : B 55 THR OG1 : rot -160:sc= -0.592 USER MOD Single : C 1 MET CE :methyl 153:sc= -3.31 (180deg=-3.84) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.039) USER MOD Single : C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 25 THR OG1 : rot 180:sc= -0.128 USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 32 GLN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : C 35 ASN : amide:sc= -4.02 K(o=-4,f=-1.9) USER MOD Single : C 37 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.69) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 51 THR OG1 : rot 163:sc= -1.11 USER MOD Single : C 55 THR OG1 : rot -168:sc= -0.583 USER MOD Single : D 1 MET CE :methyl 152:sc= -3.2 (180deg=-3.64) USER MOD Single : D 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 2 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.04) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 25 THR OG1 : rot 180:sc= -0.121 USER MOD Single : D 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 32 GLN : amide:sc= 0 X(o=0,f=-0.0099) USER MOD Single : D 35 ASN : amide:sc= -4.16 K(o=-4.2,f=-1.8) USER MOD Single : D 37 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.71) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 49 THR OG1 : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 158:sc= -1.15 USER MOD Single : D 55 THR OG1 : rot -169:sc= -0.607 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.408 20.266 -0.388 1.00 0.00 N ATOM 2 CA MET A 1 9.618 19.793 0.778 1.00 0.00 C ATOM 3 C MET A 1 8.149 19.612 0.409 1.00 0.00 C ATOM 4 O MET A 1 7.477 20.563 0.014 1.00 0.00 O ATOM 5 CB MET A 1 9.761 20.814 1.909 1.00 0.00 C ATOM 6 CG MET A 1 9.777 20.189 3.296 1.00 0.00 C ATOM 7 SD MET A 1 8.128 19.762 3.884 1.00 0.00 S ATOM 8 CE MET A 1 8.210 17.973 3.854 1.00 0.00 C ATOM 0 H1 MET A 1 11.403 20.381 -0.109 1.00 0.00 H new ATOM 0 H2 MET A 1 10.342 19.570 -1.158 1.00 0.00 H new ATOM 0 H3 MET A 1 10.032 21.179 -0.714 1.00 0.00 H new ATOM 0 HA MET A 1 9.996 18.823 1.100 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.682 21.378 1.763 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.938 21.526 1.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.396 19.292 3.279 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.240 20.883 3.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.522 17.565 4.594 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.933 17.613 2.863 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.225 17.651 4.086 1.00 0.00 H new ATOM 20 N GLN A 2 7.659 18.386 0.550 1.00 0.00 N ATOM 21 CA GLN A 2 6.267 18.080 0.234 1.00 0.00 C ATOM 22 C GLN A 2 5.378 18.317 1.449 1.00 0.00 C ATOM 23 O GLN A 2 5.608 17.754 2.519 1.00 0.00 O ATOM 24 CB GLN A 2 6.134 16.629 -0.236 1.00 0.00 C ATOM 25 CG GLN A 2 4.830 16.343 -0.963 1.00 0.00 C ATOM 26 CD GLN A 2 4.823 14.982 -1.632 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.519 14.761 -2.623 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.033 14.062 -1.092 1.00 0.00 N ATOM 0 H GLN A 2 8.203 17.589 0.880 1.00 0.00 H new ATOM 0 HA GLN A 2 5.945 18.742 -0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.968 16.392 -0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.212 15.968 0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.003 16.400 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.660 17.114 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.473 14.289 -0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.986 13.128 -1.499 1.00 0.00 H new ATOM 37 N TYR A 3 4.368 19.166 1.281 1.00 0.00 N ATOM 38 CA TYR A 3 3.455 19.488 2.371 1.00 0.00 C ATOM 39 C TYR A 3 2.077 18.865 2.160 1.00 0.00 C ATOM 40 O TYR A 3 1.455 19.030 1.111 1.00 0.00 O ATOM 41 CB TYR A 3 3.325 21.004 2.524 1.00 0.00 C ATOM 42 CG TYR A 3 4.470 21.633 3.285 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.504 21.600 4.673 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.516 22.256 2.617 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.548 22.172 5.376 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.565 22.831 3.313 1.00 0.00 C ATOM 47 CZ TYR A 3 6.576 22.785 4.691 1.00 0.00 C ATOM 48 OH TYR A 3 7.617 23.355 5.386 1.00 0.00 O ATOM 0 H TYR A 3 4.162 19.642 0.403 1.00 0.00 H new ATOM 0 HA TYR A 3 3.875 19.067 3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.264 21.457 1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.390 21.231 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.701 21.119 5.212 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.511 22.292 1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.558 22.139 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.371 23.313 2.780 1.00 0.00 H new ATOM 0 HH TYR A 3 7.314 24.188 5.805 1.00 0.00 H new ATOM 58 N LYS A 4 1.614 18.152 3.181 1.00 0.00 N ATOM 59 CA LYS A 4 0.312 17.498 3.139 1.00 0.00 C ATOM 60 C LYS A 4 -0.690 18.235 4.022 1.00 0.00 C ATOM 61 O LYS A 4 -0.443 18.458 5.207 1.00 0.00 O ATOM 62 CB LYS A 4 0.429 16.039 3.586 1.00 0.00 C ATOM 63 CG LYS A 4 0.858 15.095 2.474 1.00 0.00 C ATOM 64 CD LYS A 4 1.046 13.677 2.988 1.00 0.00 C ATOM 65 CE LYS A 4 1.201 12.687 1.844 1.00 0.00 C ATOM 66 NZ LYS A 4 1.800 11.401 2.299 1.00 0.00 N ATOM 0 H LYS A 4 2.125 18.012 4.053 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.046 17.523 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.147 15.975 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.533 15.710 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.109 15.100 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.790 15.450 2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.926 13.635 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.191 13.395 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.226 12.495 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.828 13.125 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.889 10.754 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.741 11.580 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.189 10.970 3.022 1.00 0.00 H new ATOM 80 N VAL A 5 -1.819 18.617 3.434 1.00 0.00 N ATOM 81 CA VAL A 5 -2.855 19.338 4.167 1.00 0.00 C ATOM 82 C VAL A 5 -4.252 18.898 3.742 1.00 0.00 C ATOM 83 O VAL A 5 -4.582 18.904 2.557 1.00 0.00 O ATOM 84 CB VAL A 5 -2.727 20.860 3.964 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.681 21.606 4.885 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.293 21.311 4.192 1.00 0.00 C ATOM 0 H VAL A 5 -2.040 18.440 2.454 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.713 19.101 5.221 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.998 21.093 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.575 22.679 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.706 21.306 4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.446 21.368 5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.223 22.389 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.991 21.064 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.636 20.804 3.486 1.00 0.00 H new ATOM 96 N ILE A 6 -5.072 18.523 4.722 1.00 0.00 N ATOM 97 CA ILE A 6 -6.438 18.089 4.455 1.00 0.00 C ATOM 98 C ILE A 6 -7.416 19.254 4.584 1.00 0.00 C ATOM 99 O ILE A 6 -7.543 19.852 5.653 1.00 0.00 O ATOM 100 CB ILE A 6 -6.865 16.965 5.422 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.802 15.867 5.466 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.211 16.391 5.006 1.00 0.00 C ATOM 103 CD1 ILE A 6 -6.082 14.793 6.495 1.00 0.00 C ATOM 0 H ILE A 6 -4.812 18.512 5.708 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.460 17.709 3.433 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.965 17.386 6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.728 15.405 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.833 16.319 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.498 15.599 5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.964 17.179 5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.137 15.983 3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.287 14.048 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.126 15.242 7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.035 14.314 6.271 1.00 0.00 H new ATOM 115 N LEU A 7 -8.105 19.571 3.493 1.00 0.00 N ATOM 116 CA LEU A 7 -9.072 20.666 3.494 1.00 0.00 C ATOM 117 C LEU A 7 -10.370 20.248 2.813 1.00 0.00 C ATOM 118 O LEU A 7 -10.392 19.963 1.616 1.00 0.00 O ATOM 119 CB LEU A 7 -8.487 21.898 2.799 1.00 0.00 C ATOM 120 CG LEU A 7 -8.819 23.234 3.468 1.00 0.00 C ATOM 121 CD1 LEU A 7 -8.149 23.328 4.829 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.395 24.399 2.582 1.00 0.00 C ATOM 0 H LEU A 7 -8.013 19.088 2.599 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.294 20.918 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.403 21.791 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.849 21.923 1.771 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.898 23.288 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.396 24.284 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.502 22.516 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.068 23.251 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.640 25.339 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.320 24.350 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.921 24.342 1.629 1.00 0.00 H new ATOM 337 N ASP A 22 -12.547 25.167 2.872 1.00 0.00 N ATOM 338 CA ASP A 22 -13.009 24.666 1.582 1.00 0.00 C ATOM 339 C ASP A 22 -11.854 24.388 0.631 1.00 0.00 C ATOM 340 O ASP A 22 -10.868 25.122 0.591 1.00 0.00 O ATOM 341 CB ASP A 22 -13.975 25.666 0.944 1.00 0.00 C ATOM 342 CG ASP A 22 -14.620 25.123 -0.317 1.00 0.00 C ATOM 343 OD1 ASP A 22 -14.897 23.907 -0.365 1.00 0.00 O ATOM 344 OD2 ASP A 22 -14.847 25.915 -1.254 1.00 0.00 O ATOM 0 HA ASP A 22 -13.524 23.723 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.752 25.926 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.439 26.585 0.708 1.00 0.00 H new ATOM 349 N ALA A 23 -11.999 23.316 -0.136 1.00 0.00 N ATOM 350 CA ALA A 23 -10.991 22.915 -1.103 1.00 0.00 C ATOM 351 C ALA A 23 -10.655 24.062 -2.057 1.00 0.00 C ATOM 352 O ALA A 23 -9.490 24.285 -2.386 1.00 0.00 O ATOM 353 CB ALA A 23 -11.487 21.701 -1.869 1.00 0.00 C ATOM 0 H ALA A 23 -12.814 22.704 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.074 22.656 -0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.734 21.397 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.672 20.882 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.412 21.951 -2.388 1.00 0.00 H new ATOM 359 N ALA A 24 -11.683 24.787 -2.489 1.00 0.00 N ATOM 360 CA ALA A 24 -11.501 25.916 -3.397 1.00 0.00 C ATOM 361 C ALA A 24 -10.729 27.041 -2.714 1.00 0.00 C ATOM 362 O ALA A 24 -9.966 27.765 -3.354 1.00 0.00 O ATOM 363 CB ALA A 24 -12.848 26.420 -3.890 1.00 0.00 C ATOM 0 H ALA A 24 -12.653 24.613 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.920 25.576 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.696 27.262 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.365 25.619 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.450 26.741 -3.040 1.00 0.00 H new ATOM 369 N THR A 25 -10.932 27.176 -1.407 1.00 0.00 N ATOM 370 CA THR A 25 -10.257 28.205 -0.627 1.00 0.00 C ATOM 371 C THR A 25 -8.749 27.976 -0.653 1.00 0.00 C ATOM 372 O THR A 25 -7.964 28.922 -0.694 1.00 0.00 O ATOM 373 CB THR A 25 -10.782 28.193 0.814 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.122 28.652 0.858 1.00 0.00 O ATOM 375 CG2 THR A 25 -9.979 29.047 1.774 1.00 0.00 C ATOM 0 H THR A 25 -11.561 26.583 -0.865 1.00 0.00 H new ATOM 0 HA THR A 25 -10.464 29.182 -1.065 1.00 0.00 H new ATOM 0 HB THR A 25 -10.697 27.154 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.443 28.637 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.416 28.983 2.770 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.950 28.689 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.993 30.084 1.437 1.00 0.00 H new ATOM 383 N PHE A 26 -8.358 26.706 -0.648 1.00 0.00 N ATOM 384 CA PHE A 26 -6.948 26.336 -0.693 1.00 0.00 C ATOM 385 C PHE A 26 -6.316 26.758 -2.016 1.00 0.00 C ATOM 386 O PHE A 26 -5.257 27.384 -2.042 1.00 0.00 O ATOM 387 CB PHE A 26 -6.786 24.827 -0.504 1.00 0.00 C ATOM 388 CG PHE A 26 -5.390 24.417 -0.129 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.915 24.627 1.156 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.553 23.824 -1.061 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.631 24.254 1.504 1.00 0.00 C ATOM 392 CE2 PHE A 26 -3.268 23.449 -0.719 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.807 23.664 0.566 1.00 0.00 C ATOM 0 H PHE A 26 -9.000 25.914 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.439 26.856 0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.476 24.490 0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.070 24.321 -1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.556 25.087 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.909 23.653 -2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.272 24.424 2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.625 22.989 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.803 23.371 0.836 1.00 0.00 H new ATOM 403 N GLU A 27 -6.972 26.395 -3.116 1.00 0.00 N ATOM 404 CA GLU A 27 -6.478 26.715 -4.453 1.00 0.00 C ATOM 405 C GLU A 27 -6.256 28.214 -4.642 1.00 0.00 C ATOM 406 O GLU A 27 -5.202 28.638 -5.114 1.00 0.00 O ATOM 407 CB GLU A 27 -7.455 26.200 -5.511 1.00 0.00 C ATOM 408 CG GLU A 27 -7.557 24.683 -5.560 1.00 0.00 C ATOM 409 CD GLU A 27 -8.552 24.199 -6.596 1.00 0.00 C ATOM 410 OE1 GLU A 27 -9.769 24.246 -6.317 1.00 0.00 O ATOM 411 OE2 GLU A 27 -8.115 23.771 -7.686 1.00 0.00 O ATOM 0 H GLU A 27 -7.851 25.877 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.513 26.221 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.443 26.616 -5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.144 26.567 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.575 24.263 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.850 24.310 -4.578 1.00 0.00 H new ATOM 418 N LYS A 28 -7.265 29.012 -4.304 1.00 0.00 N ATOM 419 CA LYS A 28 -7.184 30.461 -4.474 1.00 0.00 C ATOM 420 C LYS A 28 -6.156 31.105 -3.544 1.00 0.00 C ATOM 421 O LYS A 28 -5.342 31.917 -3.984 1.00 0.00 O ATOM 422 CB LYS A 28 -8.557 31.095 -4.242 1.00 0.00 C ATOM 423 CG LYS A 28 -8.660 32.523 -4.752 1.00 0.00 C ATOM 424 CD LYS A 28 -10.108 32.970 -4.873 1.00 0.00 C ATOM 425 CE LYS A 28 -10.775 32.371 -6.101 1.00 0.00 C ATOM 426 NZ LYS A 28 -12.179 32.841 -6.254 1.00 0.00 N ATOM 0 H LYS A 28 -8.147 28.682 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.857 30.643 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.317 30.487 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.779 31.082 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.128 33.191 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.173 32.599 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.657 32.675 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.151 34.058 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.204 32.637 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.762 31.284 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.599 32.410 -7.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.731 32.565 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.190 33.876 -6.350 1.00 0.00 H new ATOM 440 N VAL A 29 -6.194 30.755 -2.261 1.00 0.00 N ATOM 441 CA VAL A 29 -5.263 31.322 -1.288 1.00 0.00 C ATOM 442 C VAL A 29 -3.811 30.979 -1.609 1.00 0.00 C ATOM 443 O VAL A 29 -2.922 31.816 -1.459 1.00 0.00 O ATOM 444 CB VAL A 29 -5.580 30.841 0.143 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.598 31.439 1.143 1.00 0.00 C ATOM 446 CG2 VAL A 29 -7.012 31.190 0.518 1.00 0.00 C ATOM 0 H VAL A 29 -6.856 30.084 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.390 32.403 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.474 29.757 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.840 31.087 2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.584 31.132 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.666 32.526 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.218 30.843 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.148 32.270 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.698 30.707 -0.178 1.00 0.00 H new ATOM 456 N VAL A 30 -3.572 29.745 -2.035 1.00 0.00 N ATOM 457 CA VAL A 30 -2.220 29.299 -2.355 1.00 0.00 C ATOM 458 C VAL A 30 -1.682 29.967 -3.614 1.00 0.00 C ATOM 459 O VAL A 30 -0.541 30.430 -3.634 1.00 0.00 O ATOM 460 CB VAL A 30 -2.148 27.765 -2.508 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.724 27.314 -2.803 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.673 27.084 -1.254 1.00 0.00 C ATOM 0 H VAL A 30 -4.294 29.036 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.593 29.596 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.776 27.476 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.700 26.229 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.381 27.775 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.070 27.615 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.616 26.002 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.070 27.384 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.710 27.376 -1.088 1.00 0.00 H new ATOM 472 N LYS A 31 -2.496 30.031 -4.661 1.00 0.00 N ATOM 473 CA LYS A 31 -2.073 30.659 -5.905 1.00 0.00 C ATOM 474 C LYS A 31 -1.822 32.148 -5.697 1.00 0.00 C ATOM 475 O LYS A 31 -0.811 32.688 -6.143 1.00 0.00 O ATOM 476 CB LYS A 31 -3.134 30.456 -6.987 1.00 0.00 C ATOM 477 CG LYS A 31 -2.608 30.634 -8.401 1.00 0.00 C ATOM 478 CD LYS A 31 -3.663 30.281 -9.436 1.00 0.00 C ATOM 479 CE LYS A 31 -3.376 30.943 -10.773 1.00 0.00 C ATOM 480 NZ LYS A 31 -4.473 30.711 -11.754 1.00 0.00 N ATOM 0 H LYS A 31 -3.445 29.659 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.143 30.190 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.553 29.455 -6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.949 31.161 -6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.288 31.666 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.730 30.005 -8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.700 29.199 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.644 30.593 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.241 32.015 -10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.440 30.556 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.239 31.179 -12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.585 29.690 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.361 31.103 -11.381 1.00 0.00 H new ATOM 494 N GLN A 32 -2.747 32.805 -5.006 1.00 0.00 N ATOM 495 CA GLN A 32 -2.625 34.230 -4.731 1.00 0.00 C ATOM 496 C GLN A 32 -1.414 34.519 -3.849 1.00 0.00 C ATOM 497 O GLN A 32 -0.656 35.453 -4.111 1.00 0.00 O ATOM 498 CB GLN A 32 -3.897 34.758 -4.065 1.00 0.00 C ATOM 499 CG GLN A 32 -4.003 36.274 -4.076 1.00 0.00 C ATOM 500 CD GLN A 32 -4.548 36.811 -5.385 1.00 0.00 C ATOM 501 OE1 GLN A 32 -3.806 36.999 -6.350 1.00 0.00 O ATOM 502 NE2 GLN A 32 -5.851 37.061 -5.424 1.00 0.00 N ATOM 0 H GLN A 32 -3.589 32.373 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.485 34.742 -5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.765 34.337 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.930 34.407 -3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.649 36.595 -3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.019 36.705 -3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.428 36.890 -4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.275 37.424 -6.278 1.00 0.00 H new ATOM 511 N PHE A 33 -1.229 33.708 -2.809 1.00 0.00 N ATOM 512 CA PHE A 33 -0.104 33.864 -1.893 1.00 0.00 C ATOM 513 C PHE A 33 1.239 33.559 -2.557 1.00 0.00 C ATOM 514 O PHE A 33 2.196 34.318 -2.407 1.00 0.00 O ATOM 515 CB PHE A 33 -0.346 32.985 -0.654 1.00 0.00 C ATOM 516 CG PHE A 33 0.885 32.591 0.116 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.745 33.536 0.655 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.159 31.248 0.320 1.00 0.00 C ATOM 519 CE1 PHE A 33 2.862 33.142 1.376 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.269 30.850 1.036 1.00 0.00 C ATOM 521 CZ PHE A 33 3.123 31.795 1.564 1.00 0.00 C ATOM 0 H PHE A 33 -1.849 32.931 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.045 34.909 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.019 33.515 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.861 32.078 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.543 34.587 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.493 30.502 -0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.528 33.885 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.469 29.799 1.183 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.994 31.485 2.123 1.00 0.00 H new ATOM 531 N PHE A 34 1.312 32.445 -3.275 1.00 0.00 N ATOM 532 CA PHE A 34 2.551 32.050 -3.938 1.00 0.00 C ATOM 533 C PHE A 34 2.828 32.836 -5.224 1.00 0.00 C ATOM 534 O PHE A 34 3.987 33.091 -5.554 1.00 0.00 O ATOM 535 CB PHE A 34 2.564 30.544 -4.172 1.00 0.00 C ATOM 536 CG PHE A 34 2.956 29.807 -2.924 1.00 0.00 C ATOM 537 CD1 PHE A 34 4.270 29.828 -2.486 1.00 0.00 C ATOM 538 CD2 PHE A 34 2.013 29.128 -2.168 1.00 0.00 C ATOM 539 CE1 PHE A 34 4.640 29.183 -1.323 1.00 0.00 C ATOM 540 CE2 PHE A 34 2.376 28.484 -0.999 1.00 0.00 C ATOM 541 CZ PHE A 34 3.693 28.511 -0.578 1.00 0.00 C ATOM 0 H PHE A 34 0.533 31.801 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 34 3.372 32.305 -3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.577 30.215 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.261 30.303 -4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.015 30.356 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.984 29.102 -2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.669 29.204 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.632 27.961 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.980 28.007 0.333 1.00 0.00 H new ATOM 551 N ASN A 35 1.782 33.241 -5.942 1.00 0.00 N ATOM 552 CA ASN A 35 1.975 34.019 -7.171 1.00 0.00 C ATOM 553 C ASN A 35 2.842 35.252 -6.908 1.00 0.00 C ATOM 554 O ASN A 35 3.580 35.704 -7.784 1.00 0.00 O ATOM 555 CB ASN A 35 0.630 34.433 -7.787 1.00 0.00 C ATOM 556 CG ASN A 35 -0.006 33.344 -8.641 1.00 0.00 C ATOM 557 OD1 ASN A 35 -0.756 33.640 -9.571 1.00 0.00 O ATOM 558 ND2 ASN A 35 0.292 32.082 -8.346 1.00 0.00 N ATOM 0 H ASN A 35 0.809 33.050 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 35 2.492 33.379 -7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.059 34.706 -6.987 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.778 35.324 -8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.105 31.322 -8.898 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.918 31.874 -7.568 1.00 0.00 H new ATOM 565 N ASP A 36 2.753 35.781 -5.693 1.00 0.00 N ATOM 566 CA ASP A 36 3.532 36.952 -5.292 1.00 0.00 C ATOM 567 C ASP A 36 5.038 36.676 -5.351 1.00 0.00 C ATOM 568 O ASP A 36 5.845 37.605 -5.373 1.00 0.00 O ATOM 569 CB ASP A 36 3.134 37.397 -3.883 1.00 0.00 C ATOM 570 CG ASP A 36 1.793 38.105 -3.858 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.759 39.323 -4.133 1.00 0.00 O ATOM 572 OD2 ASP A 36 0.777 37.442 -3.563 1.00 0.00 O ATOM 0 H ASP A 36 2.144 35.415 -4.961 1.00 0.00 H new ATOM 0 HA ASP A 36 3.311 37.753 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.095 36.527 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.900 38.062 -3.485 1.00 0.00 H new ATOM 577 N ASN A 37 5.409 35.395 -5.366 1.00 0.00 N ATOM 578 CA ASN A 37 6.822 35.011 -5.413 1.00 0.00 C ATOM 579 C ASN A 37 7.249 34.592 -6.817 1.00 0.00 C ATOM 580 O ASN A 37 8.439 34.601 -7.135 1.00 0.00 O ATOM 581 CB ASN A 37 7.113 33.867 -4.438 1.00 0.00 C ATOM 582 CG ASN A 37 6.363 33.997 -3.128 1.00 0.00 C ATOM 583 OD1 ASN A 37 6.555 34.955 -2.379 1.00 0.00 O ATOM 584 ND2 ASN A 37 5.504 33.024 -2.846 1.00 0.00 N ATOM 0 H ASN A 37 4.757 34.611 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 37 7.395 35.891 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.848 32.920 -4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.183 33.834 -4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.970 33.051 -1.977 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.378 32.250 -3.498 1.00 0.00 H new ATOM 591 N GLY A 38 6.286 34.227 -7.658 1.00 0.00 N ATOM 592 CA GLY A 38 6.612 33.818 -9.013 1.00 0.00 C ATOM 593 C GLY A 38 6.079 32.439 -9.369 1.00 0.00 C ATOM 594 O GLY A 38 6.518 31.836 -10.348 1.00 0.00 O ATOM 0 H GLY A 38 5.292 34.207 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.207 34.549 -9.713 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.695 33.825 -9.137 1.00 0.00 H new ATOM 598 N VAL A 39 5.129 31.939 -8.583 1.00 0.00 N ATOM 599 CA VAL A 39 4.542 30.626 -8.840 1.00 0.00 C ATOM 600 C VAL A 39 3.353 30.750 -9.787 1.00 0.00 C ATOM 601 O VAL A 39 2.599 31.720 -9.722 1.00 0.00 O ATOM 602 CB VAL A 39 4.079 29.944 -7.537 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.609 28.523 -7.810 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.199 29.952 -6.508 1.00 0.00 C ATOM 0 H VAL A 39 4.751 32.420 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 39 5.317 30.011 -9.297 1.00 0.00 H new ATOM 0 HB VAL A 39 3.237 30.507 -7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.287 28.061 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.775 28.544 -8.511 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.428 27.945 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.857 29.467 -5.594 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.060 29.414 -6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.484 30.981 -6.288 1.00 0.00 H new ATOM 614 N ASP A 40 3.188 29.769 -10.673 1.00 0.00 N ATOM 615 CA ASP A 40 2.086 29.795 -11.629 1.00 0.00 C ATOM 616 C ASP A 40 1.736 28.388 -12.108 1.00 0.00 C ATOM 617 O ASP A 40 2.339 27.404 -11.679 1.00 0.00 O ATOM 618 CB ASP A 40 2.447 30.676 -12.826 1.00 0.00 C ATOM 619 CG ASP A 40 2.402 32.154 -12.491 1.00 0.00 C ATOM 620 OD1 ASP A 40 1.293 32.728 -12.480 1.00 0.00 O ATOM 621 OD2 ASP A 40 3.478 32.738 -12.237 1.00 0.00 O ATOM 0 H ASP A 40 3.798 28.955 -10.748 1.00 0.00 H new ATOM 0 HA ASP A 40 1.214 30.211 -11.124 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.446 30.416 -13.177 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.758 30.471 -13.645 1.00 0.00 H new ATOM 626 N GLY A 41 0.754 28.308 -13.002 1.00 0.00 N ATOM 627 CA GLY A 41 0.329 27.024 -13.531 1.00 0.00 C ATOM 628 C GLY A 41 -1.118 26.716 -13.201 1.00 0.00 C ATOM 629 O GLY A 41 -1.956 27.617 -13.163 1.00 0.00 O ATOM 0 H GLY A 41 0.244 29.111 -13.370 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.462 27.017 -14.613 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.967 26.238 -13.127 1.00 0.00 H new ATOM 633 N GLU A 42 -1.415 25.443 -12.961 1.00 0.00 N ATOM 634 CA GLU A 42 -2.775 25.026 -12.633 1.00 0.00 C ATOM 635 C GLU A 42 -2.768 23.815 -11.705 1.00 0.00 C ATOM 636 O GLU A 42 -1.800 23.056 -11.664 1.00 0.00 O ATOM 637 CB GLU A 42 -3.551 24.700 -13.910 1.00 0.00 C ATOM 638 CG GLU A 42 -3.972 25.929 -14.697 1.00 0.00 C ATOM 639 CD GLU A 42 -5.012 25.617 -15.755 1.00 0.00 C ATOM 640 OE1 GLU A 42 -6.079 25.075 -15.398 1.00 0.00 O ATOM 641 OE2 GLU A 42 -4.761 25.916 -16.942 1.00 0.00 O ATOM 0 H GLU A 42 -0.735 24.683 -12.987 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.266 25.851 -12.117 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.936 24.065 -14.547 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.439 24.125 -13.648 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.370 26.676 -14.011 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.096 26.369 -15.173 1.00 0.00 H new ATOM 648 N TRP A 43 -3.857 23.642 -10.961 1.00 0.00 N ATOM 649 CA TRP A 43 -3.980 22.526 -10.031 1.00 0.00 C ATOM 650 C TRP A 43 -4.183 21.214 -10.772 1.00 0.00 C ATOM 651 O TRP A 43 -5.131 21.061 -11.543 1.00 0.00 O ATOM 652 CB TRP A 43 -5.137 22.765 -9.060 1.00 0.00 C ATOM 653 CG TRP A 43 -4.810 23.749 -7.979 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.160 25.066 -7.937 1.00 0.00 C ATOM 655 CD2 TRP A 43 -4.064 23.493 -6.782 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.678 25.647 -6.790 1.00 0.00 N ATOM 657 CE2 TRP A 43 -4.003 24.701 -6.063 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.444 22.359 -6.250 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.345 24.807 -4.840 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -2.791 22.465 -5.035 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.747 23.682 -4.342 1.00 0.00 C ATOM 0 H TRP A 43 -4.667 24.261 -10.985 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.051 22.458 -9.465 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.002 23.123 -9.618 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.422 21.817 -8.604 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.733 25.578 -8.696 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.802 26.623 -6.523 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.474 21.417 -6.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.308 25.744 -4.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.307 21.596 -4.614 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.230 23.733 -3.395 1.00 0.00 H new ATOM 672 N THR A 44 -3.287 20.269 -10.524 1.00 0.00 N ATOM 673 CA THR A 44 -3.361 18.963 -11.158 1.00 0.00 C ATOM 674 C THR A 44 -3.623 17.879 -10.122 1.00 0.00 C ATOM 675 O THR A 44 -3.045 17.884 -9.036 1.00 0.00 O ATOM 676 CB THR A 44 -2.067 18.662 -11.916 1.00 0.00 C ATOM 677 OG1 THR A 44 -0.956 18.679 -11.037 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.785 19.645 -13.032 1.00 0.00 C ATOM 0 H THR A 44 -2.499 20.384 -9.887 1.00 0.00 H new ATOM 0 HA THR A 44 -4.189 18.975 -11.867 1.00 0.00 H new ATOM 0 HB THR A 44 -2.210 17.673 -12.352 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.273 18.690 -10.110 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.853 19.374 -13.529 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.601 19.620 -13.754 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.697 20.650 -12.618 1.00 0.00 H new ATOM 686 N TYR A 45 -4.489 16.944 -10.477 1.00 0.00 N ATOM 687 CA TYR A 45 -4.826 15.835 -9.593 1.00 0.00 C ATOM 688 C TYR A 45 -3.659 14.859 -9.486 1.00 0.00 C ATOM 689 O TYR A 45 -2.962 14.604 -10.469 1.00 0.00 O ATOM 690 CB TYR A 45 -6.076 15.108 -10.094 1.00 0.00 C ATOM 691 CG TYR A 45 -7.368 15.797 -9.724 1.00 0.00 C ATOM 692 CD1 TYR A 45 -7.939 15.612 -8.471 1.00 0.00 C ATOM 693 CD2 TYR A 45 -8.019 16.634 -10.623 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.121 16.238 -8.124 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.201 17.264 -10.283 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.748 17.063 -9.033 1.00 0.00 C ATOM 697 OH TYR A 45 -10.925 17.688 -8.692 1.00 0.00 O ATOM 0 H TYR A 45 -4.974 16.929 -11.374 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.032 16.241 -8.603 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.022 15.015 -11.179 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.085 14.097 -9.688 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.450 14.967 -7.755 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.594 16.794 -11.603 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.551 16.082 -7.146 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.694 17.911 -10.993 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.235 18.234 -9.444 1.00 0.00 H new ATOM 707 N ASP A 46 -3.448 14.316 -8.291 1.00 0.00 N ATOM 708 CA ASP A 46 -2.361 13.368 -8.068 1.00 0.00 C ATOM 709 C ASP A 46 -2.658 12.034 -8.744 1.00 0.00 C ATOM 710 O ASP A 46 -3.812 11.720 -9.039 1.00 0.00 O ATOM 711 CB ASP A 46 -2.143 13.143 -6.570 1.00 0.00 C ATOM 712 CG ASP A 46 -1.325 14.244 -5.924 1.00 0.00 C ATOM 713 OD1 ASP A 46 -1.922 15.248 -5.486 1.00 0.00 O ATOM 714 OD2 ASP A 46 -0.087 14.096 -5.853 1.00 0.00 O ATOM 0 H ASP A 46 -4.013 14.515 -7.465 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.455 13.791 -8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.111 13.076 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.641 12.187 -6.420 1.00 0.00 H new ATOM 719 N ASP A 47 -1.611 11.252 -8.986 1.00 0.00 N ATOM 720 CA ASP A 47 -1.763 9.951 -9.626 1.00 0.00 C ATOM 721 C ASP A 47 -2.522 8.985 -8.719 1.00 0.00 C ATOM 722 O ASP A 47 -2.256 8.906 -7.520 1.00 0.00 O ATOM 723 CB ASP A 47 -0.393 9.369 -9.981 1.00 0.00 C ATOM 724 CG ASP A 47 0.163 9.941 -11.270 1.00 0.00 C ATOM 725 OD1 ASP A 47 0.704 11.066 -11.237 1.00 0.00 O ATOM 726 OD2 ASP A 47 0.055 9.264 -12.315 1.00 0.00 O ATOM 0 H ASP A 47 -0.650 11.496 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.338 10.089 -10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.305 9.568 -9.168 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.474 8.286 -10.073 1.00 0.00 H new ATOM 731 N ALA A 48 -3.475 8.262 -9.299 1.00 0.00 N ATOM 732 CA ALA A 48 -4.284 7.309 -8.545 1.00 0.00 C ATOM 733 C ALA A 48 -3.417 6.284 -7.818 1.00 0.00 C ATOM 734 O ALA A 48 -2.413 5.813 -8.352 1.00 0.00 O ATOM 735 CB ALA A 48 -5.267 6.608 -9.470 1.00 0.00 C ATOM 0 H ALA A 48 -3.707 8.318 -10.291 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.838 7.867 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.865 5.900 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.923 7.347 -9.931 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.719 6.075 -10.247 1.00 0.00 H new ATOM 741 N THR A 49 -3.819 5.945 -6.596 1.00 0.00 N ATOM 742 CA THR A 49 -3.091 4.976 -5.784 1.00 0.00 C ATOM 743 C THR A 49 -4.049 3.970 -5.154 1.00 0.00 C ATOM 744 O THR A 49 -5.235 4.253 -4.984 1.00 0.00 O ATOM 745 CB THR A 49 -2.291 5.688 -4.692 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.589 6.796 -5.227 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.282 4.792 -4.008 1.00 0.00 C ATOM 0 H THR A 49 -4.649 6.330 -6.145 1.00 0.00 H new ATOM 0 HA THR A 49 -2.401 4.439 -6.435 1.00 0.00 H new ATOM 0 HB THR A 49 -3.028 6.006 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.085 7.239 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.750 5.360 -3.245 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.798 3.953 -3.542 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.571 4.417 -4.744 1.00 0.00 H new ATOM 755 N LYS A 50 -3.532 2.794 -4.811 1.00 0.00 N ATOM 756 CA LYS A 50 -4.351 1.750 -4.204 1.00 0.00 C ATOM 757 C LYS A 50 -3.818 1.370 -2.824 1.00 0.00 C ATOM 758 O LYS A 50 -2.612 1.397 -2.581 1.00 0.00 O ATOM 759 CB LYS A 50 -4.395 0.516 -5.108 1.00 0.00 C ATOM 760 CG LYS A 50 -5.524 0.549 -6.124 1.00 0.00 C ATOM 761 CD LYS A 50 -5.328 -0.496 -7.211 1.00 0.00 C ATOM 762 CE LYS A 50 -5.857 -0.010 -8.551 1.00 0.00 C ATOM 763 NZ LYS A 50 -5.619 -1.004 -9.634 1.00 0.00 N ATOM 0 H LYS A 50 -2.553 2.541 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.362 2.140 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.445 0.427 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.500 -0.375 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.474 0.376 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.579 1.539 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.268 -0.734 -7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.839 -1.417 -6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.926 0.189 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.376 0.933 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.994 -0.636 -10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.598 -1.175 -9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.099 -1.896 -9.398 1.00 0.00 H new ATOM 777 N THR A 51 -4.732 1.019 -1.925 1.00 0.00 N ATOM 778 CA THR A 51 -4.368 0.637 -0.565 1.00 0.00 C ATOM 779 C THR A 51 -5.197 -0.566 -0.113 1.00 0.00 C ATOM 780 O THR A 51 -6.423 -0.566 -0.231 1.00 0.00 O ATOM 781 CB THR A 51 -4.565 1.830 0.379 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.568 2.809 0.148 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.511 1.469 1.850 1.00 0.00 C ATOM 0 H THR A 51 -5.734 0.991 -2.115 1.00 0.00 H new ATOM 0 HA THR A 51 -3.317 0.348 -0.541 1.00 0.00 H new ATOM 0 HB THR A 51 -5.565 2.204 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.831 3.651 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.659 2.367 2.451 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.296 0.747 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.539 1.033 2.082 1.00 0.00 H new ATOM 791 N PHE A 52 -4.520 -1.590 0.399 1.00 0.00 N ATOM 792 CA PHE A 52 -5.190 -2.803 0.863 1.00 0.00 C ATOM 793 C PHE A 52 -5.758 -2.623 2.267 1.00 0.00 C ATOM 794 O PHE A 52 -5.021 -2.346 3.213 1.00 0.00 O ATOM 795 CB PHE A 52 -4.222 -3.989 0.845 1.00 0.00 C ATOM 796 CG PHE A 52 -4.896 -5.315 1.065 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.537 -5.963 0.021 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.887 -5.913 2.315 1.00 0.00 C ATOM 799 CE1 PHE A 52 -6.158 -7.182 0.221 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.505 -7.131 2.521 1.00 0.00 C ATOM 801 CZ PHE A 52 -6.141 -7.767 1.473 1.00 0.00 C ATOM 0 H PHE A 52 -3.505 -1.605 0.504 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.017 -3.003 0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.702 -4.009 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.465 -3.842 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.552 -5.511 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.391 -5.421 3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.656 -7.676 -0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.491 -7.586 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.624 -8.720 1.632 1.00 0.00 H new ATOM 811 N THR A 53 -7.067 -2.799 2.402 1.00 0.00 N ATOM 812 CA THR A 53 -7.722 -2.670 3.698 1.00 0.00 C ATOM 813 C THR A 53 -7.852 -4.038 4.362 1.00 0.00 C ATOM 814 O THR A 53 -8.412 -4.968 3.781 1.00 0.00 O ATOM 815 CB THR A 53 -9.102 -2.027 3.540 1.00 0.00 C ATOM 816 OG1 THR A 53 -8.991 -0.739 2.962 1.00 0.00 O ATOM 817 CG2 THR A 53 -9.849 -1.877 4.849 1.00 0.00 C ATOM 0 H THR A 53 -7.695 -3.031 1.632 1.00 0.00 H new ATOM 0 HA THR A 53 -7.111 -2.028 4.332 1.00 0.00 H new ATOM 0 HB THR A 53 -9.662 -2.705 2.896 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.598 -0.815 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.819 -1.415 4.664 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.995 -2.859 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.271 -1.249 5.528 1.00 0.00 H new ATOM 825 N VAL A 54 -7.328 -4.159 5.578 1.00 0.00 N ATOM 826 CA VAL A 54 -7.388 -5.421 6.306 1.00 0.00 C ATOM 827 C VAL A 54 -8.809 -5.723 6.763 1.00 0.00 C ATOM 828 O VAL A 54 -9.633 -4.819 6.906 1.00 0.00 O ATOM 829 CB VAL A 54 -6.463 -5.420 7.539 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.290 -6.832 8.075 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.113 -4.802 7.201 1.00 0.00 C ATOM 0 H VAL A 54 -6.860 -3.403 6.077 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.051 -6.192 5.613 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.927 -4.812 8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.634 -6.813 8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.262 -7.234 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.850 -7.463 7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.477 -4.812 8.086 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.638 -5.377 6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.256 -3.774 6.869 1.00 0.00 H new ATOM 841 N THR A 55 -9.090 -7.000 6.989 1.00 0.00 N ATOM 842 CA THR A 55 -10.412 -7.428 7.431 1.00 0.00 C ATOM 843 C THR A 55 -10.316 -8.672 8.303 1.00 0.00 C ATOM 844 O THR A 55 -10.559 -8.621 9.509 1.00 0.00 O ATOM 845 CB THR A 55 -11.311 -7.701 6.224 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.389 -6.558 5.389 1.00 0.00 O ATOM 847 CG2 THR A 55 -12.722 -8.088 6.603 1.00 0.00 C ATOM 0 H THR A 55 -8.419 -7.759 6.873 1.00 0.00 H new ATOM 0 HA THR A 55 -10.849 -6.625 8.025 1.00 0.00 H new ATOM 0 HB THR A 55 -10.849 -8.541 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.184 -6.623 4.819 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.305 -8.267 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.701 -8.995 7.207 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.179 -7.281 7.176 1.00 0.00 H new ATOM 855 N GLU A 56 -9.956 -9.789 7.684 1.00 0.00 N ATOM 856 CA GLU A 56 -9.822 -11.054 8.398 1.00 0.00 C ATOM 857 C GLU A 56 -11.137 -11.450 9.060 1.00 0.00 C ATOM 858 O GLU A 56 -12.124 -10.699 8.913 1.00 0.00 O ATOM 859 CB GLU A 56 -8.716 -10.953 9.451 1.00 0.00 C ATOM 860 CG GLU A 56 -7.394 -10.448 8.898 1.00 0.00 C ATOM 861 CD GLU A 56 -6.365 -10.199 9.983 1.00 0.00 C ATOM 862 OE1 GLU A 56 -6.084 -11.134 10.761 1.00 0.00 O ATOM 863 OE2 GLU A 56 -5.841 -9.067 10.055 1.00 0.00 O ATOM 864 OXT GLU A 56 -11.170 -12.511 9.719 1.00 0.00 O ATOM 0 H GLU A 56 -9.751 -9.845 6.686 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.557 -11.824 7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.045 -10.287 10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.562 -11.935 9.899 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.000 -11.175 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.565 -9.524 8.345 1.00 0.00 H new ATOM 872 N MET B 1 -10.220 16.575 1.713 1.00 0.00 N ATOM 873 CA MET B 1 -9.377 16.727 0.499 1.00 0.00 C ATOM 874 C MET B 1 -7.909 16.915 0.869 1.00 0.00 C ATOM 875 O MET B 1 -7.549 17.871 1.555 1.00 0.00 O ATOM 876 CB MET B 1 -9.883 17.931 -0.299 1.00 0.00 C ATOM 877 CG MET B 1 -9.767 17.756 -1.805 1.00 0.00 C ATOM 878 SD MET B 1 -8.094 18.050 -2.412 1.00 0.00 S ATOM 879 CE MET B 1 -7.615 16.395 -2.901 1.00 0.00 C ATOM 0 H1 MET B 1 -11.213 16.449 1.432 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.904 15.744 2.253 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.133 17.426 2.305 1.00 0.00 H new ATOM 0 HA MET B 1 -9.449 15.822 -0.104 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.926 18.114 -0.042 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.321 18.816 -0.000 1.00 0.00 H new ATOM 0 HG2 MET B 1 -10.075 16.746 -2.074 1.00 0.00 H new ATOM 0 HG3 MET B 1 -10.455 18.441 -2.301 1.00 0.00 H new ATOM 0 HE1 MET B 1 -6.831 16.451 -3.656 1.00 0.00 H new ATOM 0 HE2 MET B 1 -7.244 15.852 -2.032 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.479 15.873 -3.313 1.00 0.00 H new ATOM 891 N GLN B 2 -7.067 15.997 0.406 1.00 0.00 N ATOM 892 CA GLN B 2 -5.638 16.062 0.685 1.00 0.00 C ATOM 893 C GLN B 2 -4.925 16.903 -0.367 1.00 0.00 C ATOM 894 O GLN B 2 -5.016 16.628 -1.563 1.00 0.00 O ATOM 895 CB GLN B 2 -5.039 14.654 0.724 1.00 0.00 C ATOM 896 CG GLN B 2 -3.679 14.589 1.399 1.00 0.00 C ATOM 897 CD GLN B 2 -3.219 13.166 1.649 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.766 12.465 2.501 1.00 0.00 O ATOM 899 NE2 GLN B 2 -2.209 12.731 0.905 1.00 0.00 N ATOM 0 H GLN B 2 -7.350 15.200 -0.164 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.500 16.531 1.659 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.727 13.990 1.247 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -4.948 14.279 -0.295 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -2.944 15.100 0.777 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.722 15.125 2.347 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -1.785 13.346 0.210 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -1.857 11.782 1.028 1.00 0.00 H new ATOM 908 N TYR B 3 -4.223 17.938 0.086 1.00 0.00 N ATOM 909 CA TYR B 3 -3.506 18.826 -0.821 1.00 0.00 C ATOM 910 C TYR B 3 -1.995 18.631 -0.733 1.00 0.00 C ATOM 911 O TYR B 3 -1.409 18.675 0.350 1.00 0.00 O ATOM 912 CB TYR B 3 -3.864 20.283 -0.526 1.00 0.00 C ATOM 913 CG TYR B 3 -5.182 20.715 -1.129 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.268 21.073 -2.470 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.339 20.762 -0.362 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.470 21.466 -3.027 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.545 21.154 -0.913 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.605 21.504 -2.245 1.00 0.00 C ATOM 919 OH TYR B 3 -8.803 21.895 -2.797 1.00 0.00 O ATOM 0 H TYR B 3 -4.136 18.181 1.073 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.813 18.575 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.903 20.428 0.554 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.071 20.928 -0.906 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.381 21.043 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.296 20.488 0.682 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.520 21.742 -4.070 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.436 21.186 -0.303 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.798 22.865 -2.936 1.00 0.00 H new ATOM 929 N LYS B 4 -1.381 18.422 -1.891 1.00 0.00 N ATOM 930 CA LYS B 4 0.062 18.224 -1.976 1.00 0.00 C ATOM 931 C LYS B 4 0.742 19.457 -2.562 1.00 0.00 C ATOM 932 O LYS B 4 0.381 19.922 -3.643 1.00 0.00 O ATOM 933 CB LYS B 4 0.383 16.994 -2.828 1.00 0.00 C ATOM 934 CG LYS B 4 0.320 15.685 -2.056 1.00 0.00 C ATOM 935 CD LYS B 4 0.559 14.489 -2.963 1.00 0.00 C ATOM 936 CE LYS B 4 0.773 13.216 -2.161 1.00 0.00 C ATOM 937 NZ LYS B 4 0.584 11.995 -2.993 1.00 0.00 N ATOM 0 H LYS B 4 -1.862 18.385 -2.789 1.00 0.00 H new ATOM 0 HA LYS B 4 0.443 18.064 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.317 16.948 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.380 17.107 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.066 15.694 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.655 15.591 -1.577 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -0.293 14.361 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.430 14.676 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.779 13.217 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS B 4 0.077 13.195 -1.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 0.739 11.149 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -0.384 11.980 -3.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.265 12.002 -3.779 1.00 0.00 H new ATOM 951 N VAL B 5 1.721 19.987 -1.836 1.00 0.00 N ATOM 952 CA VAL B 5 2.444 21.173 -2.282 1.00 0.00 C ATOM 953 C VAL B 5 3.927 21.087 -1.934 1.00 0.00 C ATOM 954 O VAL B 5 4.294 20.854 -0.783 1.00 0.00 O ATOM 955 CB VAL B 5 1.859 22.452 -1.654 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.487 23.690 -2.275 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.346 22.480 -1.811 1.00 0.00 C ATOM 0 H VAL B 5 2.032 19.615 -0.938 1.00 0.00 H new ATOM 0 HA VAL B 5 2.333 21.218 -3.365 1.00 0.00 H new ATOM 0 HB VAL B 5 2.093 22.450 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL B 5 2.060 24.583 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.564 23.675 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.288 23.701 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -0.050 23.391 -1.361 1.00 0.00 H new ATOM 0 HG22 VAL B 5 0.090 22.457 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.087 21.612 -1.314 1.00 0.00 H new ATOM 967 N ILE B 6 4.776 21.287 -2.939 1.00 0.00 N ATOM 968 CA ILE B 6 6.220 21.241 -2.744 1.00 0.00 C ATOM 969 C ILE B 6 6.779 22.637 -2.484 1.00 0.00 C ATOM 970 O ILE B 6 6.665 23.526 -3.328 1.00 0.00 O ATOM 971 CB ILE B 6 6.932 20.634 -3.968 1.00 0.00 C ATOM 972 CG1 ILE B 6 6.262 19.319 -4.376 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.407 20.411 -3.670 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.818 18.726 -5.654 1.00 0.00 C ATOM 0 H ILE B 6 4.487 21.483 -3.897 1.00 0.00 H new ATOM 0 HA ILE B 6 6.406 20.608 -1.876 1.00 0.00 H new ATOM 0 HB ILE B 6 6.852 21.335 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.379 18.596 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.192 19.489 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.894 19.982 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.877 21.363 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.509 19.728 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE B 6 6.296 17.796 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.677 19.431 -6.474 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.882 18.524 -5.529 1.00 0.00 H new ATOM 986 N LEU B 7 7.383 22.826 -1.315 1.00 0.00 N ATOM 987 CA LEU B 7 7.958 24.118 -0.954 1.00 0.00 C ATOM 988 C LEU B 7 9.353 23.948 -0.358 1.00 0.00 C ATOM 989 O LEU B 7 9.515 23.358 0.710 1.00 0.00 O ATOM 990 CB LEU B 7 7.049 24.852 0.037 1.00 0.00 C ATOM 991 CG LEU B 7 6.918 26.358 -0.201 1.00 0.00 C ATOM 992 CD1 LEU B 7 6.192 26.627 -1.510 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.193 27.026 0.959 1.00 0.00 C ATOM 0 H LEU B 7 7.487 22.103 -0.603 1.00 0.00 H new ATOM 0 HA LEU B 7 8.042 24.713 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.056 24.405 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.430 24.690 1.045 1.00 0.00 H new ATOM 0 HG LEU B 7 7.920 26.783 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.107 27.703 -1.665 1.00 0.00 H new ATOM 0 HD12 LEU B 7 6.752 26.185 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.196 26.186 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU B 7 6.111 28.096 0.769 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.196 26.598 1.060 1.00 0.00 H new ATOM 0 HD23 LEU B 7 6.753 26.863 1.880 1.00 0.00 H new ATOM 1208 N ASP B 22 9.883 29.094 1.102 1.00 0.00 N ATOM 1209 CA ASP B 22 10.539 28.414 2.213 1.00 0.00 C ATOM 1210 C ASP B 22 9.575 27.528 2.988 1.00 0.00 C ATOM 1211 O ASP B 22 8.411 27.872 3.190 1.00 0.00 O ATOM 1212 CB ASP B 22 11.173 29.436 3.157 1.00 0.00 C ATOM 1213 CG ASP B 22 12.012 28.783 4.237 1.00 0.00 C ATOM 1214 OD1 ASP B 22 12.660 27.755 3.947 1.00 0.00 O ATOM 1215 OD2 ASP B 22 12.021 29.299 5.375 1.00 0.00 O ATOM 0 HA ASP B 22 11.314 27.774 1.790 1.00 0.00 H new ATOM 0 HB2 ASP B 22 11.796 30.121 2.581 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.388 30.033 3.622 1.00 0.00 H new ATOM 1220 N ALA B 23 10.080 26.381 3.420 1.00 0.00 N ATOM 1221 CA ALA B 23 9.293 25.426 4.181 1.00 0.00 C ATOM 1222 C ALA B 23 8.660 26.084 5.407 1.00 0.00 C ATOM 1223 O ALA B 23 7.499 25.830 5.730 1.00 0.00 O ATOM 1224 CB ALA B 23 10.177 24.261 4.588 1.00 0.00 C ATOM 0 H ALA B 23 11.043 26.089 3.253 1.00 0.00 H new ATOM 0 HA ALA B 23 8.480 25.059 3.555 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.591 23.542 5.159 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.575 23.778 3.696 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.001 24.626 5.201 1.00 0.00 H new ATOM 1230 N ALA B 24 9.429 26.937 6.079 1.00 0.00 N ATOM 1231 CA ALA B 24 8.945 27.642 7.261 1.00 0.00 C ATOM 1232 C ALA B 24 7.832 28.618 6.895 1.00 0.00 C ATOM 1233 O ALA B 24 6.911 28.852 7.678 1.00 0.00 O ATOM 1234 CB ALA B 24 10.090 28.376 7.944 1.00 0.00 C ATOM 0 H ALA B 24 10.392 27.156 5.824 1.00 0.00 H new ATOM 0 HA ALA B 24 8.537 26.906 7.954 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.714 28.898 8.824 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.853 27.659 8.245 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.524 29.098 7.252 1.00 0.00 H new ATOM 1240 N THR B 25 7.922 29.179 5.693 1.00 0.00 N ATOM 1241 CA THR B 25 6.923 30.125 5.209 1.00 0.00 C ATOM 1242 C THR B 25 5.566 29.439 5.095 1.00 0.00 C ATOM 1243 O THR B 25 4.527 30.040 5.369 1.00 0.00 O ATOM 1244 CB THR B 25 7.360 30.692 3.852 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.487 31.535 4.006 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.289 31.492 3.142 1.00 0.00 C ATOM 0 H THR B 25 8.679 28.994 5.035 1.00 0.00 H new ATOM 0 HA THR B 25 6.833 30.948 5.918 1.00 0.00 H new ATOM 0 HB THR B 25 7.588 29.817 3.244 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.754 31.887 3.131 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.678 31.857 2.191 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.422 30.857 2.960 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.995 32.338 3.763 1.00 0.00 H new ATOM 1254 N PHE B 26 5.591 28.170 4.708 1.00 0.00 N ATOM 1255 CA PHE B 26 4.371 27.383 4.577 1.00 0.00 C ATOM 1256 C PHE B 26 3.699 27.188 5.933 1.00 0.00 C ATOM 1257 O PHE B 26 2.500 27.419 6.086 1.00 0.00 O ATOM 1258 CB PHE B 26 4.679 26.019 3.955 1.00 0.00 C ATOM 1259 CG PHE B 26 3.465 25.322 3.411 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.889 25.734 2.220 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.898 24.255 4.092 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.771 25.096 1.718 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.779 23.613 3.593 1.00 0.00 C ATOM 1264 CZ PHE B 26 1.215 24.035 2.405 1.00 0.00 C ATOM 0 H PHE B 26 6.445 27.662 4.479 1.00 0.00 H new ATOM 0 HA PHE B 26 3.690 27.929 3.925 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.404 26.150 3.151 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.147 25.383 4.706 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.319 26.563 1.678 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.335 23.922 5.022 1.00 0.00 H new ATOM 0 HE1 PHE B 26 1.332 25.427 0.788 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.347 22.783 4.132 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.341 23.536 2.014 1.00 0.00 H new ATOM 1274 N GLU B 27 4.484 26.747 6.912 1.00 0.00 N ATOM 1275 CA GLU B 27 3.976 26.498 8.259 1.00 0.00 C ATOM 1276 C GLU B 27 3.309 27.735 8.859 1.00 0.00 C ATOM 1277 O GLU B 27 2.198 27.654 9.383 1.00 0.00 O ATOM 1278 CB GLU B 27 5.114 26.032 9.171 1.00 0.00 C ATOM 1279 CG GLU B 27 5.684 24.676 8.788 1.00 0.00 C ATOM 1280 CD GLU B 27 6.830 24.250 9.687 1.00 0.00 C ATOM 1281 OE1 GLU B 27 7.956 24.751 9.490 1.00 0.00 O ATOM 1282 OE2 GLU B 27 6.599 23.415 10.587 1.00 0.00 O ATOM 0 H GLU B 27 5.479 26.554 6.797 1.00 0.00 H new ATOM 0 HA GLU B 27 3.219 25.717 8.182 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.913 26.773 9.148 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.751 25.987 10.198 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.893 23.927 8.834 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.031 24.710 7.755 1.00 0.00 H new ATOM 1289 N LYS B 28 4.002 28.868 8.813 1.00 0.00 N ATOM 1290 CA LYS B 28 3.482 30.105 9.388 1.00 0.00 C ATOM 1291 C LYS B 28 2.263 30.637 8.632 1.00 0.00 C ATOM 1292 O LYS B 28 1.256 30.992 9.247 1.00 0.00 O ATOM 1293 CB LYS B 28 4.577 31.174 9.413 1.00 0.00 C ATOM 1294 CG LYS B 28 4.253 32.353 10.318 1.00 0.00 C ATOM 1295 CD LYS B 28 5.493 33.173 10.631 1.00 0.00 C ATOM 1296 CE LYS B 28 6.369 32.487 11.667 1.00 0.00 C ATOM 1297 NZ LYS B 28 7.562 33.306 12.017 1.00 0.00 N ATOM 0 H LYS B 28 4.923 28.956 8.385 1.00 0.00 H new ATOM 0 HA LYS B 28 3.162 29.873 10.404 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.511 30.719 9.743 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.741 31.539 8.399 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.508 32.987 9.838 1.00 0.00 H new ATOM 0 HG3 LYS B 28 3.812 31.990 11.246 1.00 0.00 H new ATOM 0 HD2 LYS B 28 6.065 33.332 9.717 1.00 0.00 H new ATOM 0 HD3 LYS B 28 5.197 34.156 10.997 1.00 0.00 H new ATOM 0 HE2 LYS B 28 5.784 32.295 12.567 1.00 0.00 H new ATOM 0 HE3 LYS B 28 6.693 31.519 11.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.133 32.803 12.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 8.134 33.468 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 7.254 34.220 12.406 1.00 0.00 H new ATOM 1311 N VAL B 29 2.350 30.701 7.307 1.00 0.00 N ATOM 1312 CA VAL B 29 1.245 31.205 6.493 1.00 0.00 C ATOM 1313 C VAL B 29 -0.012 30.350 6.633 1.00 0.00 C ATOM 1314 O VAL B 29 -1.124 30.874 6.687 1.00 0.00 O ATOM 1315 CB VAL B 29 1.629 31.278 5.002 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.466 31.802 4.170 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.863 32.147 4.812 1.00 0.00 C ATOM 0 H VAL B 29 3.170 30.412 6.774 1.00 0.00 H new ATOM 0 HA VAL B 29 1.033 32.207 6.866 1.00 0.00 H new ATOM 0 HB VAL B 29 1.863 30.270 4.658 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.759 31.845 3.121 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.390 31.136 4.280 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.195 32.801 4.512 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.120 32.187 3.754 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.658 33.154 5.174 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.697 31.723 5.372 1.00 0.00 H new ATOM 1327 N VAL B 30 0.166 29.035 6.675 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.964 28.118 6.788 1.00 0.00 C ATOM 1329 C VAL B 30 -1.624 28.197 8.159 1.00 0.00 C ATOM 1330 O VAL B 30 -2.850 28.256 8.257 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.547 26.663 6.493 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.744 25.725 6.579 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.106 26.570 5.123 1.00 0.00 C ATOM 0 H VAL B 30 1.078 28.580 6.633 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.690 28.431 6.038 1.00 0.00 H new ATOM 0 HB VAL B 30 0.177 26.355 7.247 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.423 24.705 6.367 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.170 25.770 7.581 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.496 26.028 5.851 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.396 25.538 4.927 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.600 26.900 4.360 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.991 27.206 5.098 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.823 28.204 9.219 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.364 28.283 10.568 1.00 0.00 C ATOM 1345 C LYS B 31 -2.075 29.614 10.786 1.00 0.00 C ATOM 1346 O LYS B 31 -3.183 29.659 11.318 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.243 28.118 11.597 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.735 27.709 12.975 1.00 0.00 C ATOM 1349 CD LYS B 31 0.424 27.422 13.916 1.00 0.00 C ATOM 1350 CE LYS B 31 0.006 27.548 15.371 1.00 0.00 C ATOM 1351 NZ LYS B 31 1.163 27.397 16.296 1.00 0.00 N ATOM 0 H LYS B 31 0.195 28.156 9.170 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.087 27.477 10.694 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.463 27.370 11.236 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.303 29.058 11.680 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.356 28.502 13.391 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.364 26.823 12.890 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.803 26.417 13.731 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.241 28.114 13.710 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.463 28.519 15.531 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.743 26.791 15.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.836 27.489 17.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.595 26.461 16.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.867 28.135 16.095 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.434 30.696 10.358 1.00 0.00 N ATOM 1366 CA GLN B 32 -2.007 32.028 10.498 1.00 0.00 C ATOM 1367 C GLN B 32 -3.287 32.165 9.680 1.00 0.00 C ATOM 1368 O GLN B 32 -4.287 32.699 10.162 1.00 0.00 O ATOM 1369 CB GLN B 32 -0.995 33.093 10.073 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.368 34.495 10.526 1.00 0.00 C ATOM 1371 CD GLN B 32 -0.958 34.775 11.959 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -1.676 34.436 12.899 1.00 0.00 O ATOM 1373 NE2 GLN B 32 0.202 35.396 12.130 1.00 0.00 N ATOM 0 H GLN B 32 -0.517 30.676 9.911 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.256 32.176 11.549 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -0.017 32.836 10.479 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.902 33.083 8.987 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -0.894 35.223 9.868 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -2.445 34.630 10.428 1.00 0.00 H new ATOM 0 HE21 GLN B 32 0.764 35.658 11.320 1.00 0.00 H new ATOM 0 HE22 GLN B 32 0.531 35.611 13.071 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.258 31.672 8.444 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.417 31.725 7.558 1.00 0.00 C ATOM 1384 C PHE B 33 -5.565 30.840 8.042 1.00 0.00 C ATOM 1385 O PHE B 33 -6.717 31.273 8.069 1.00 0.00 O ATOM 1386 CB PHE B 33 -3.969 31.362 6.133 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.050 30.844 5.222 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.185 31.587 4.938 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.901 29.601 4.628 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.156 31.091 4.081 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.863 29.101 3.775 1.00 0.00 C ATOM 1392 CZ PHE B 33 -6.993 29.845 3.501 1.00 0.00 C ATOM 0 H PHE B 33 -2.437 31.228 8.031 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.815 32.740 7.562 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.526 32.246 5.675 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.183 30.609 6.199 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.314 32.560 5.388 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -4.018 29.015 4.836 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.038 31.676 3.867 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.732 28.129 3.322 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.749 29.455 2.835 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.255 29.603 8.405 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.278 28.668 8.866 1.00 0.00 C ATOM 1404 C PHE B 34 -6.728 28.924 10.309 1.00 0.00 C ATOM 1405 O PHE B 34 -7.891 28.698 10.642 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.809 27.233 8.656 1.00 0.00 C ATOM 1407 CG PHE B 34 -6.009 26.804 7.232 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -7.282 26.543 6.755 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -4.935 26.698 6.361 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -7.485 26.180 5.438 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -5.132 26.340 5.039 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.409 26.079 4.578 1.00 0.00 C ATOM 0 H PHE B 34 -4.309 29.223 8.390 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.168 28.835 8.259 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.755 27.149 8.920 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.358 26.566 9.321 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -8.128 26.624 7.422 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -3.935 26.897 6.718 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.484 25.975 5.081 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -4.289 26.265 4.368 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.565 25.797 3.547 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.828 29.412 11.163 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.197 29.703 12.551 1.00 0.00 C ATOM 1424 C ASN B 35 -7.417 30.625 12.612 1.00 0.00 C ATOM 1425 O ASN B 35 -8.218 30.551 13.545 1.00 0.00 O ATOM 1426 CB ASN B 35 -5.022 30.319 13.324 1.00 0.00 C ATOM 1427 CG ASN B 35 -4.039 29.287 13.858 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.376 29.521 14.869 1.00 0.00 O ATOM 1429 ND2 ASN B 35 -3.942 28.136 13.201 1.00 0.00 N ATOM 0 H ASN B 35 -4.856 29.612 10.926 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.456 28.757 13.026 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.491 31.011 12.671 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.412 30.903 14.158 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.303 27.413 13.531 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -4.507 27.976 12.367 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.553 31.480 11.605 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.675 32.414 11.521 1.00 0.00 C ATOM 1438 C ASP B 36 -10.016 31.677 11.426 1.00 0.00 C ATOM 1439 O ASP B 36 -11.071 32.261 11.675 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.502 33.346 10.319 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.451 34.412 10.562 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -7.786 35.446 11.178 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.293 34.212 10.138 1.00 0.00 O ATOM 0 H ASP B 36 -6.895 31.547 10.828 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.682 33.006 12.436 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.224 32.758 9.444 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.455 33.824 10.093 1.00 0.00 H new ATOM 1448 N ASN B 37 -9.968 30.398 11.056 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.187 29.595 10.922 1.00 0.00 C ATOM 1450 C ASN B 37 -11.398 28.679 12.126 1.00 0.00 C ATOM 1451 O ASN B 37 -12.515 28.226 12.375 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.150 28.748 9.647 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.538 29.476 8.469 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -11.054 30.499 8.017 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.435 28.943 7.960 1.00 0.00 N ATOM 0 H ASN B 37 -9.105 29.896 10.845 1.00 0.00 H new ATOM 0 HA ASN B 37 -12.019 30.297 10.868 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -10.582 27.838 9.839 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -12.165 28.443 9.391 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.978 29.382 7.161 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.044 28.094 8.368 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.332 28.406 12.871 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.451 27.544 14.035 1.00 0.00 C ATOM 1464 C GLY B 38 -9.499 26.359 14.005 1.00 0.00 C ATOM 1465 O GLY B 38 -9.684 25.395 14.747 1.00 0.00 O ATOM 0 H GLY B 38 -9.393 28.763 12.692 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.262 28.131 14.934 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.475 27.177 14.104 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.478 26.428 13.156 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.499 25.350 13.053 1.00 0.00 C ATOM 1471 C VAL B 39 -6.365 25.559 14.051 1.00 0.00 C ATOM 1472 O VAL B 39 -5.957 26.692 14.303 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.908 25.251 11.632 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -6.006 24.030 11.507 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -8.020 25.204 10.595 1.00 0.00 C ATOM 0 H VAL B 39 -8.307 27.216 12.531 1.00 0.00 H new ATOM 0 HA VAL B 39 -8.022 24.420 13.278 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.304 26.140 11.450 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.600 23.980 10.497 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -5.188 24.107 12.223 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.584 23.128 11.711 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.585 25.134 9.598 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.651 24.334 10.777 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.622 26.110 10.666 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.862 24.469 14.625 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.780 24.561 15.599 1.00 0.00 C ATOM 1487 C ASP B 40 -3.987 23.258 15.669 1.00 0.00 C ATOM 1488 O ASP B 40 -4.269 22.303 14.947 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.343 24.903 16.979 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.777 26.352 17.085 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -4.905 27.220 17.298 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -6.991 26.618 16.954 1.00 0.00 O ATOM 0 H ASP B 40 -6.183 23.520 14.434 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.104 25.354 15.278 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.194 24.256 17.192 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.588 24.697 17.738 1.00 0.00 H new ATOM 1497 N GLY B 41 -2.991 23.233 16.550 1.00 0.00 N ATOM 1498 CA GLY B 41 -2.162 22.052 16.707 1.00 0.00 C ATOM 1499 C GLY B 41 -0.708 22.318 16.372 1.00 0.00 C ATOM 1500 O GLY B 41 -0.194 23.406 16.633 1.00 0.00 O ATOM 0 H GLY B 41 -2.743 24.012 17.159 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -2.236 21.694 17.734 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.541 21.257 16.064 1.00 0.00 H new ATOM 1504 N GLU B 42 -0.039 21.324 15.793 1.00 0.00 N ATOM 1505 CA GLU B 42 1.366 21.464 15.425 1.00 0.00 C ATOM 1506 C GLU B 42 1.695 20.633 14.190 1.00 0.00 C ATOM 1507 O GLU B 42 1.011 19.655 13.885 1.00 0.00 O ATOM 1508 CB GLU B 42 2.264 21.044 16.590 1.00 0.00 C ATOM 1509 CG GLU B 42 2.316 22.064 17.716 1.00 0.00 C ATOM 1510 CD GLU B 42 3.449 21.801 18.688 1.00 0.00 C ATOM 1511 OE1 GLU B 42 4.614 21.747 18.241 1.00 0.00 O ATOM 1512 OE2 GLU B 42 3.171 21.649 19.896 1.00 0.00 O ATOM 0 H GLU B 42 -0.446 20.416 15.569 1.00 0.00 H new ATOM 0 HA GLU B 42 1.549 22.513 15.192 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.908 20.094 16.988 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.274 20.875 16.217 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.430 23.062 17.292 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.369 22.053 18.256 1.00 0.00 H new ATOM 1519 N TRP B 43 2.746 21.030 13.479 1.00 0.00 N ATOM 1520 CA TRP B 43 3.168 20.324 12.274 1.00 0.00 C ATOM 1521 C TRP B 43 3.805 18.986 12.616 1.00 0.00 C ATOM 1522 O TRP B 43 4.787 18.921 13.356 1.00 0.00 O ATOM 1523 CB TRP B 43 4.148 21.179 11.470 1.00 0.00 C ATOM 1524 CG TRP B 43 3.481 22.279 10.702 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.401 23.594 11.058 1.00 0.00 C ATOM 1526 CD2 TRP B 43 2.799 22.159 9.449 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.710 24.300 10.103 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.331 23.442 9.104 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.538 21.093 8.583 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.618 23.685 7.932 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.830 21.335 7.421 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.378 22.622 7.104 1.00 0.00 C ATOM 0 H TRP B 43 3.322 21.838 13.717 1.00 0.00 H new ATOM 0 HA TRP B 43 2.281 20.136 11.669 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.883 21.612 12.148 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.693 20.539 10.776 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.820 24.018 11.959 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.511 25.300 10.133 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.884 20.097 8.818 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.267 24.676 7.686 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.622 20.518 6.746 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.829 22.779 6.187 1.00 0.00 H new ATOM 1543 N THR B 44 3.237 17.922 12.065 1.00 0.00 N ATOM 1544 CA THR B 44 3.744 16.580 12.300 1.00 0.00 C ATOM 1545 C THR B 44 4.283 15.978 11.010 1.00 0.00 C ATOM 1546 O THR B 44 3.681 16.115 9.945 1.00 0.00 O ATOM 1547 CB THR B 44 2.643 15.687 12.875 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.546 15.609 11.985 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.119 16.169 14.210 1.00 0.00 C ATOM 0 H THR B 44 2.423 17.964 11.451 1.00 0.00 H new ATOM 0 HA THR B 44 4.558 16.644 13.022 1.00 0.00 H new ATOM 0 HB THR B 44 3.106 14.711 13.016 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.717 16.176 11.204 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.341 15.491 14.562 1.00 0.00 H new ATOM 0 HG22 THR B 44 2.934 16.193 14.934 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.704 17.171 14.098 1.00 0.00 H new ATOM 1557 N TYR B 45 5.413 15.299 11.122 1.00 0.00 N ATOM 1558 CA TYR B 45 6.036 14.654 9.974 1.00 0.00 C ATOM 1559 C TYR B 45 5.227 13.438 9.536 1.00 0.00 C ATOM 1560 O TYR B 45 4.690 12.707 10.369 1.00 0.00 O ATOM 1561 CB TYR B 45 7.471 14.239 10.304 1.00 0.00 C ATOM 1562 CG TYR B 45 8.467 15.373 10.211 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.011 15.743 8.986 1.00 0.00 C ATOM 1564 CD2 TYR B 45 8.865 16.075 11.342 1.00 0.00 C ATOM 1565 CE1 TYR B 45 9.921 16.777 8.891 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.775 17.111 11.256 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.300 17.458 10.028 1.00 0.00 C ATOM 1568 OH TYR B 45 11.207 18.489 9.939 1.00 0.00 O ATOM 0 H TYR B 45 5.920 15.179 11.999 1.00 0.00 H new ATOM 0 HA TYR B 45 6.059 15.371 9.153 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.498 13.825 11.312 1.00 0.00 H new ATOM 0 HB3 TYR B 45 7.775 13.443 9.624 1.00 0.00 H new ATOM 0 HD1 TYR B 45 8.716 15.212 8.093 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.456 15.806 12.305 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.334 17.051 7.931 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.074 17.646 12.145 1.00 0.00 H new ATOM 0 HH TYR B 45 11.365 18.864 10.831 1.00 0.00 H new ATOM 1578 N ASP B 46 5.141 13.223 8.227 1.00 0.00 N ATOM 1579 CA ASP B 46 4.395 12.091 7.688 1.00 0.00 C ATOM 1580 C ASP B 46 5.125 10.781 7.965 1.00 0.00 C ATOM 1581 O ASP B 46 6.330 10.770 8.212 1.00 0.00 O ATOM 1582 CB ASP B 46 4.190 12.251 6.180 1.00 0.00 C ATOM 1583 CG ASP B 46 3.041 13.179 5.841 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.275 14.401 5.742 1.00 0.00 O ATOM 1585 OD2 ASP B 46 1.909 12.683 5.669 1.00 0.00 O ATOM 0 H ASP B 46 5.577 13.816 7.521 1.00 0.00 H new ATOM 0 HA ASP B 46 3.423 12.067 8.181 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.106 12.635 5.732 1.00 0.00 H new ATOM 0 HB3 ASP B 46 4.004 11.273 5.737 1.00 0.00 H new ATOM 1590 N ASP B 47 4.385 9.677 7.924 1.00 0.00 N ATOM 1591 CA ASP B 47 4.964 8.361 8.171 1.00 0.00 C ATOM 1592 C ASP B 47 5.942 7.984 7.061 1.00 0.00 C ATOM 1593 O ASP B 47 5.659 8.177 5.879 1.00 0.00 O ATOM 1594 CB ASP B 47 3.861 7.306 8.276 1.00 0.00 C ATOM 1595 CG ASP B 47 3.216 7.278 9.649 1.00 0.00 C ATOM 1596 OD1 ASP B 47 2.349 8.137 9.915 1.00 0.00 O ATOM 1597 OD2 ASP B 47 3.579 6.398 10.457 1.00 0.00 O ATOM 0 H ASP B 47 3.385 9.668 7.722 1.00 0.00 H new ATOM 0 HA ASP B 47 5.508 8.400 9.115 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.098 7.506 7.523 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.279 6.324 8.054 1.00 0.00 H new ATOM 1602 N ALA B 48 7.098 7.459 7.453 1.00 0.00 N ATOM 1603 CA ALA B 48 8.128 7.065 6.497 1.00 0.00 C ATOM 1604 C ALA B 48 7.592 6.075 5.466 1.00 0.00 C ATOM 1605 O ALA B 48 6.812 5.180 5.794 1.00 0.00 O ATOM 1606 CB ALA B 48 9.322 6.471 7.227 1.00 0.00 C ATOM 0 H ALA B 48 7.346 7.296 8.429 1.00 0.00 H new ATOM 0 HA ALA B 48 8.444 7.960 5.962 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.084 6.181 6.503 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.735 7.212 7.911 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.004 5.594 7.791 1.00 0.00 H new ATOM 1612 N THR B 49 8.021 6.246 4.219 1.00 0.00 N ATOM 1613 CA THR B 49 7.597 5.373 3.129 1.00 0.00 C ATOM 1614 C THR B 49 8.792 4.942 2.283 1.00 0.00 C ATOM 1615 O THR B 49 9.820 5.618 2.258 1.00 0.00 O ATOM 1616 CB THR B 49 6.566 6.082 2.250 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.577 6.713 3.045 1.00 0.00 O ATOM 1618 CG2 THR B 49 5.857 5.151 1.290 1.00 0.00 C ATOM 0 H THR B 49 8.665 6.985 3.937 1.00 0.00 H new ATOM 0 HA THR B 49 7.142 4.484 3.565 1.00 0.00 H new ATOM 0 HB THR B 49 7.133 6.812 1.672 1.00 0.00 H new ATOM 0 HG1 THR B 49 4.928 7.162 2.464 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.139 5.718 0.697 1.00 0.00 H new ATOM 0 HG22 THR B 49 6.587 4.685 0.628 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.333 4.379 1.853 1.00 0.00 H new ATOM 1626 N LYS B 50 8.652 3.814 1.595 1.00 0.00 N ATOM 1627 CA LYS B 50 9.727 3.299 0.753 1.00 0.00 C ATOM 1628 C LYS B 50 9.278 3.185 -0.701 1.00 0.00 C ATOM 1629 O LYS B 50 8.113 2.906 -0.984 1.00 0.00 O ATOM 1630 CB LYS B 50 10.195 1.935 1.264 1.00 0.00 C ATOM 1631 CG LYS B 50 11.302 2.024 2.303 1.00 0.00 C ATOM 1632 CD LYS B 50 11.491 0.703 3.032 1.00 0.00 C ATOM 1633 CE LYS B 50 11.905 0.921 4.479 1.00 0.00 C ATOM 1634 NZ LYS B 50 12.040 -0.364 5.218 1.00 0.00 N ATOM 0 H LYS B 50 7.809 3.240 1.603 1.00 0.00 H new ATOM 0 HA LYS B 50 10.558 4.002 0.801 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.345 1.406 1.695 1.00 0.00 H new ATOM 0 HB3 LYS B 50 10.546 1.341 0.420 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.235 2.310 1.818 1.00 0.00 H new ATOM 0 HG3 LYS B 50 11.064 2.807 3.023 1.00 0.00 H new ATOM 0 HD2 LYS B 50 10.563 0.132 3.000 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.249 0.109 2.521 1.00 0.00 H new ATOM 0 HE2 LYS B 50 12.853 1.458 4.508 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.167 1.550 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 11.769 -0.223 6.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 11.419 -1.079 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 13.027 -0.689 5.171 1.00 0.00 H new ATOM 1648 N THR B 51 10.213 3.411 -1.619 1.00 0.00 N ATOM 1649 CA THR B 51 9.926 3.343 -3.047 1.00 0.00 C ATOM 1650 C THR B 51 11.068 2.642 -3.784 1.00 0.00 C ATOM 1651 O THR B 51 12.236 2.990 -3.613 1.00 0.00 O ATOM 1652 CB THR B 51 9.698 4.757 -3.598 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.456 5.266 -3.144 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.691 4.835 -5.112 1.00 0.00 C ATOM 0 H THR B 51 11.181 3.644 -1.397 1.00 0.00 H new ATOM 0 HA THR B 51 9.018 2.761 -3.205 1.00 0.00 H new ATOM 0 HB THR B 51 10.540 5.344 -3.231 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.423 6.233 -3.299 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.524 5.866 -5.422 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.650 4.490 -5.499 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.894 4.204 -5.505 1.00 0.00 H new ATOM 1662 N PHE B 52 10.720 1.649 -4.601 1.00 0.00 N ATOM 1663 CA PHE B 52 11.713 0.893 -5.361 1.00 0.00 C ATOM 1664 C PHE B 52 12.131 1.637 -6.626 1.00 0.00 C ATOM 1665 O PHE B 52 11.301 1.930 -7.487 1.00 0.00 O ATOM 1666 CB PHE B 52 11.165 -0.487 -5.730 1.00 0.00 C ATOM 1667 CG PHE B 52 12.206 -1.416 -6.289 1.00 0.00 C ATOM 1668 CD1 PHE B 52 13.066 -2.103 -5.445 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.328 -1.601 -7.657 1.00 0.00 C ATOM 1670 CE1 PHE B 52 14.025 -2.957 -5.956 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.285 -2.453 -8.173 1.00 0.00 C ATOM 1672 CZ PHE B 52 14.135 -3.133 -7.322 1.00 0.00 C ATOM 0 H PHE B 52 9.757 1.349 -4.753 1.00 0.00 H new ATOM 0 HA PHE B 52 12.592 0.774 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.722 -0.942 -4.844 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.365 -0.368 -6.461 1.00 0.00 H new ATOM 0 HD1 PHE B 52 12.985 -1.969 -4.376 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.667 -1.073 -8.328 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.688 -3.487 -5.288 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.369 -2.588 -9.241 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.883 -3.800 -7.723 1.00 0.00 H new ATOM 1682 N THR B 53 13.422 1.924 -6.741 1.00 0.00 N ATOM 1683 CA THR B 53 13.945 2.617 -7.913 1.00 0.00 C ATOM 1684 C THR B 53 14.462 1.609 -8.935 1.00 0.00 C ATOM 1685 O THR B 53 15.310 0.773 -8.618 1.00 0.00 O ATOM 1686 CB THR B 53 15.062 3.582 -7.510 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.583 4.549 -6.593 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.664 4.327 -8.685 1.00 0.00 C ATOM 0 H THR B 53 14.124 1.689 -6.040 1.00 0.00 H new ATOM 0 HA THR B 53 13.137 3.192 -8.365 1.00 0.00 H new ATOM 0 HB THR B 53 15.834 2.957 -7.061 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.215 4.098 -5.805 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.449 4.994 -8.329 1.00 0.00 H new ATOM 0 HG22 THR B 53 16.087 3.612 -9.391 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.889 4.911 -9.181 1.00 0.00 H new ATOM 1696 N VAL B 54 13.948 1.685 -10.158 1.00 0.00 N ATOM 1697 CA VAL B 54 14.365 0.769 -11.213 1.00 0.00 C ATOM 1698 C VAL B 54 15.787 1.069 -11.669 1.00 0.00 C ATOM 1699 O VAL B 54 16.280 2.185 -11.508 1.00 0.00 O ATOM 1700 CB VAL B 54 13.430 0.837 -12.436 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.682 -0.342 -13.364 1.00 0.00 C ATOM 1702 CG2 VAL B 54 11.972 0.877 -12.003 1.00 0.00 C ATOM 0 H VAL B 54 13.246 2.368 -10.442 1.00 0.00 H new ATOM 0 HA VAL B 54 14.318 -0.233 -10.787 1.00 0.00 H new ATOM 0 HB VAL B 54 13.646 1.757 -12.979 1.00 0.00 H new ATOM 0 HG11 VAL B 54 13.013 -0.279 -14.223 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.716 -0.320 -13.707 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.497 -1.273 -12.828 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.332 0.925 -12.884 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.737 -0.021 -11.432 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.801 1.756 -11.382 1.00 0.00 H new ATOM 1712 N THR B 55 16.440 0.064 -12.238 1.00 0.00 N ATOM 1713 CA THR B 55 17.807 0.216 -12.719 1.00 0.00 C ATOM 1714 C THR B 55 18.064 -0.691 -13.916 1.00 0.00 C ATOM 1715 O THR B 55 18.222 -0.222 -15.044 1.00 0.00 O ATOM 1716 CB THR B 55 18.801 -0.098 -11.601 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.560 0.722 -10.471 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.245 0.099 -12.009 1.00 0.00 C ATOM 0 H THR B 55 16.045 -0.866 -12.378 1.00 0.00 H new ATOM 0 HA THR B 55 17.943 1.250 -13.034 1.00 0.00 H new ATOM 0 HB THR B 55 18.647 -1.151 -11.367 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.362 0.747 -9.908 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.897 -0.141 -11.169 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.479 -0.556 -12.848 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.401 1.137 -12.304 1.00 0.00 H new ATOM 1726 N GLU B 56 18.103 -1.992 -13.661 1.00 0.00 N ATOM 1727 CA GLU B 56 18.337 -2.975 -14.713 1.00 0.00 C ATOM 1728 C GLU B 56 19.678 -2.734 -15.398 1.00 0.00 C ATOM 1729 O GLU B 56 20.387 -1.789 -14.992 1.00 0.00 O ATOM 1730 CB GLU B 56 17.208 -2.926 -15.746 1.00 0.00 C ATOM 1731 CG GLU B 56 15.821 -3.039 -15.136 1.00 0.00 C ATOM 1732 CD GLU B 56 14.717 -2.819 -16.151 1.00 0.00 C ATOM 1733 OE1 GLU B 56 14.707 -3.527 -17.180 1.00 0.00 O ATOM 1734 OE2 GLU B 56 13.863 -1.938 -15.917 1.00 0.00 O ATOM 1735 OXT GLU B 56 20.009 -3.494 -16.333 1.00 0.00 O ATOM 0 H GLU B 56 17.975 -2.393 -12.732 1.00 0.00 H new ATOM 0 HA GLU B 56 18.358 -3.963 -14.253 1.00 0.00 H new ATOM 0 HB2 GLU B 56 17.276 -1.991 -16.302 1.00 0.00 H new ATOM 0 HB3 GLU B 56 17.348 -3.735 -16.463 1.00 0.00 H new ATOM 0 HG2 GLU B 56 15.705 -4.025 -14.687 1.00 0.00 H new ATOM 0 HG3 GLU B 56 15.721 -2.309 -14.332 1.00 0.00 H new ATOM 1743 N MET C 1 5.229 0.126 8.288 1.00 0.00 N ATOM 1744 CA MET C 1 6.054 0.602 7.149 1.00 0.00 C ATOM 1745 C MET C 1 5.238 0.658 5.862 1.00 0.00 C ATOM 1746 O MET C 1 4.720 -0.357 5.400 1.00 0.00 O ATOM 1747 CB MET C 1 7.246 -0.344 6.981 1.00 0.00 C ATOM 1748 CG MET C 1 8.519 0.354 6.530 1.00 0.00 C ATOM 1749 SD MET C 1 8.535 0.692 4.760 1.00 0.00 S ATOM 1750 CE MET C 1 8.407 2.479 4.756 1.00 0.00 C ATOM 0 H1 MET C 1 5.810 0.098 9.150 1.00 0.00 H new ATOM 0 H2 MET C 1 4.428 0.774 8.431 1.00 0.00 H new ATOM 0 H3 MET C 1 4.870 -0.828 8.082 1.00 0.00 H new ATOM 0 HA MET C 1 6.404 1.613 7.358 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.435 -0.849 7.928 1.00 0.00 H new ATOM 0 HB3 MET C 1 6.988 -1.115 6.255 1.00 0.00 H new ATOM 0 HG2 MET C 1 8.628 1.291 7.076 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.379 -0.266 6.786 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.867 2.875 3.851 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.357 2.769 4.786 1.00 0.00 H new ATOM 0 HE3 MET C 1 8.919 2.882 5.629 1.00 0.00 H new ATOM 1762 N GLN C 2 5.131 1.852 5.289 1.00 0.00 N ATOM 1763 CA GLN C 2 4.379 2.041 4.054 1.00 0.00 C ATOM 1764 C GLN C 2 5.272 1.804 2.842 1.00 0.00 C ATOM 1765 O GLN C 2 6.316 2.438 2.695 1.00 0.00 O ATOM 1766 CB GLN C 2 3.790 3.453 4.002 1.00 0.00 C ATOM 1767 CG GLN C 2 2.674 3.610 2.982 1.00 0.00 C ATOM 1768 CD GLN C 2 1.942 4.931 3.118 1.00 0.00 C ATOM 1769 OE1 GLN C 2 1.203 5.147 4.078 1.00 0.00 O ATOM 1770 NE2 GLN C 2 2.144 5.822 2.154 1.00 0.00 N ATOM 0 H GLN C 2 5.555 2.702 5.660 1.00 0.00 H new ATOM 0 HA GLN C 2 3.564 1.317 4.034 1.00 0.00 H new ATOM 0 HB2 GLN C 2 3.408 3.715 4.989 1.00 0.00 H new ATOM 0 HB3 GLN C 2 4.585 4.161 3.770 1.00 0.00 H new ATOM 0 HG2 GLN C 2 3.091 3.531 1.978 1.00 0.00 H new ATOM 0 HG3 GLN C 2 1.963 2.791 3.097 1.00 0.00 H new ATOM 0 HE21 GLN C 2 2.766 5.600 1.376 1.00 0.00 H new ATOM 0 HE22 GLN C 2 1.678 6.728 2.191 1.00 0.00 H new ATOM 1779 N TYR C 3 4.859 0.878 1.982 1.00 0.00 N ATOM 1780 CA TYR C 3 5.630 0.548 0.790 1.00 0.00 C ATOM 1781 C TYR C 3 4.959 1.060 -0.482 1.00 0.00 C ATOM 1782 O TYR C 3 3.783 0.795 -0.733 1.00 0.00 O ATOM 1783 CB TYR C 3 5.844 -0.963 0.698 1.00 0.00 C ATOM 1784 CG TYR C 3 6.967 -1.467 1.576 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.291 -1.361 1.171 1.00 0.00 C ATOM 1786 CD2 TYR C 3 6.703 -2.049 2.811 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.321 -1.818 1.969 1.00 0.00 C ATOM 1788 CE2 TYR C 3 7.729 -2.508 3.616 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.035 -2.390 3.190 1.00 0.00 C ATOM 1790 OH TYR C 3 10.059 -2.847 3.988 1.00 0.00 O ATOM 0 H TYR C 3 3.996 0.344 2.089 1.00 0.00 H new ATOM 0 HA TYR C 3 6.596 1.045 0.878 1.00 0.00 H new ATOM 0 HB2 TYR C 3 4.920 -1.470 0.976 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.055 -1.230 -0.338 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.519 -0.913 0.215 1.00 0.00 H new ATOM 0 HD2 TYR C 3 5.681 -2.144 3.146 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.345 -1.728 1.638 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.509 -2.957 4.573 1.00 0.00 H new ATOM 0 HH TYR C 3 10.386 -3.704 3.642 1.00 0.00 H new ATOM 1800 N LYS C 4 5.732 1.790 -1.277 1.00 0.00 N ATOM 1801 CA LYS C 4 5.241 2.347 -2.532 1.00 0.00 C ATOM 1802 C LYS C 4 5.820 1.587 -3.722 1.00 0.00 C ATOM 1803 O LYS C 4 7.036 1.443 -3.847 1.00 0.00 O ATOM 1804 CB LYS C 4 5.597 3.831 -2.636 1.00 0.00 C ATOM 1805 CG LYS C 4 4.609 4.745 -1.929 1.00 0.00 C ATOM 1806 CD LYS C 4 5.053 6.198 -1.983 1.00 0.00 C ATOM 1807 CE LYS C 4 3.947 7.136 -1.529 1.00 0.00 C ATOM 1808 NZ LYS C 4 4.471 8.482 -1.170 1.00 0.00 N ATOM 0 H LYS C 4 6.707 2.011 -1.073 1.00 0.00 H new ATOM 0 HA LYS C 4 4.156 2.244 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS C 4 6.590 3.988 -2.215 1.00 0.00 H new ATOM 0 HB3 LYS C 4 5.649 4.111 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS C 4 3.627 4.647 -2.391 1.00 0.00 H new ATOM 0 HG3 LYS C 4 4.505 4.434 -0.889 1.00 0.00 H new ATOM 0 HD2 LYS C 4 5.930 6.335 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS C 4 5.351 6.451 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS C 4 3.207 7.235 -2.323 1.00 0.00 H new ATOM 0 HE3 LYS C 4 3.436 6.704 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 3.685 9.091 -0.866 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 5.159 8.391 -0.395 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 4.936 8.906 -1.998 1.00 0.00 H new ATOM 1822 N VAL C 5 4.939 1.094 -4.587 1.00 0.00 N ATOM 1823 CA VAL C 5 5.365 0.340 -5.761 1.00 0.00 C ATOM 1824 C VAL C 5 4.495 0.657 -6.975 1.00 0.00 C ATOM 1825 O VAL C 5 3.269 0.568 -6.914 1.00 0.00 O ATOM 1826 CB VAL C 5 5.317 -1.178 -5.498 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.946 -1.942 -6.652 1.00 0.00 C ATOM 1828 CG2 VAL C 5 6.010 -1.513 -4.187 1.00 0.00 C ATOM 0 H VAL C 5 3.929 1.203 -4.498 1.00 0.00 H new ATOM 0 HA VAL C 5 6.392 0.640 -5.968 1.00 0.00 H new ATOM 0 HB VAL C 5 4.273 -1.482 -5.420 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.902 -3.012 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.401 -1.726 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.986 -1.637 -6.766 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.967 -2.589 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL C 5 7.051 -1.195 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.509 -0.996 -3.368 1.00 0.00 H new ATOM 1838 N ILE C 6 5.142 1.021 -8.079 1.00 0.00 N ATOM 1839 CA ILE C 6 4.434 1.344 -9.312 1.00 0.00 C ATOM 1840 C ILE C 6 4.333 0.119 -10.218 1.00 0.00 C ATOM 1841 O ILE C 6 5.347 -0.431 -10.644 1.00 0.00 O ATOM 1842 CB ILE C 6 5.134 2.482 -10.079 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.428 3.655 -9.141 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.279 2.937 -11.252 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.237 4.759 -9.787 1.00 0.00 C ATOM 0 H ILE C 6 6.157 1.099 -8.144 1.00 0.00 H new ATOM 0 HA ILE C 6 3.433 1.671 -9.031 1.00 0.00 H new ATOM 0 HB ILE C 6 6.080 2.107 -10.469 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.485 4.069 -8.783 1.00 0.00 H new ATOM 0 HG13 ILE C 6 5.966 3.285 -8.268 1.00 0.00 H new ATOM 0 HG21 ILE C 6 4.788 3.741 -11.783 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.117 2.100 -11.931 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.318 3.297 -10.884 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.407 5.556 -9.064 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.195 4.361 -10.120 1.00 0.00 H new ATOM 0 HD13 ILE C 6 5.692 5.156 -10.643 1.00 0.00 H new ATOM 1857 N LEU C 7 3.106 -0.303 -10.510 1.00 0.00 N ATOM 1858 CA LEU C 7 2.884 -1.461 -11.369 1.00 0.00 C ATOM 1859 C LEU C 7 1.804 -1.173 -12.407 1.00 0.00 C ATOM 1860 O LEU C 7 0.640 -0.960 -12.065 1.00 0.00 O ATOM 1861 CB LEU C 7 2.495 -2.683 -10.531 1.00 0.00 C ATOM 1862 CG LEU C 7 3.119 -4.004 -10.987 1.00 0.00 C ATOM 1863 CD1 LEU C 7 4.624 -3.981 -10.779 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.494 -5.179 -10.247 1.00 0.00 C ATOM 0 H LEU C 7 2.253 0.138 -10.166 1.00 0.00 H new ATOM 0 HA LEU C 7 3.816 -1.674 -11.893 1.00 0.00 H new ATOM 0 HB2 LEU C 7 2.782 -2.501 -9.495 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.410 -2.786 -10.548 1.00 0.00 H new ATOM 0 HG LEU C 7 2.920 -4.127 -12.052 1.00 0.00 H new ATOM 0 HD11 LEU C 7 5.051 -4.928 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU C 7 5.059 -3.166 -11.357 1.00 0.00 H new ATOM 0 HD13 LEU C 7 4.843 -3.833 -9.722 1.00 0.00 H new ATOM 0 HD21 LEU C 7 2.952 -6.108 -10.586 1.00 0.00 H new ATOM 0 HD22 LEU C 7 2.659 -5.063 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU C 7 1.423 -5.208 -10.448 1.00 0.00 H new ATOM 2079 N ASP C 22 1.529 -6.225 -14.232 1.00 0.00 N ATOM 2080 CA ASP C 22 0.127 -5.824 -14.296 1.00 0.00 C ATOM 2081 C ASP C 22 -0.435 -5.511 -12.917 1.00 0.00 C ATOM 2082 O ASP C 22 -0.115 -6.172 -11.931 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.706 -6.920 -14.958 1.00 0.00 C ATOM 2084 CG ASP C 22 -2.140 -6.490 -15.198 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -2.359 -5.300 -15.509 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -3.044 -7.343 -15.076 1.00 0.00 O ATOM 0 HA ASP C 22 0.074 -4.914 -14.894 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.249 -7.197 -15.908 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -0.697 -7.810 -14.329 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.283 -4.493 -12.867 1.00 0.00 N ATOM 2092 CA ALA C 23 -1.912 -4.070 -11.627 1.00 0.00 C ATOM 2093 C ALA C 23 -2.630 -5.236 -10.948 1.00 0.00 C ATOM 2094 O ALA C 23 -2.563 -5.394 -9.729 1.00 0.00 O ATOM 2095 CB ALA C 23 -2.879 -2.936 -11.919 1.00 0.00 C ATOM 0 H ALA C 23 -1.552 -3.941 -13.681 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.142 -3.719 -10.940 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.354 -2.615 -10.992 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.336 -2.099 -12.358 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -3.642 -3.279 -12.617 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.309 -6.055 -11.747 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.030 -7.213 -11.230 1.00 0.00 C ATOM 2103 C ALA C 24 -3.064 -8.245 -10.656 1.00 0.00 C ATOM 2104 O ALA C 24 -3.382 -8.944 -9.694 1.00 0.00 O ATOM 2105 CB ALA C 24 -4.883 -7.837 -12.325 1.00 0.00 C ATOM 0 H ALA C 24 -3.375 -5.937 -12.758 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.684 -6.876 -10.426 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.415 -8.700 -11.924 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.603 -7.103 -12.688 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.243 -8.155 -13.148 1.00 0.00 H new ATOM 2111 N THR C 25 -1.879 -8.325 -11.254 1.00 0.00 N ATOM 2112 CA THR C 25 -0.855 -9.262 -10.805 1.00 0.00 C ATOM 2113 C THR C 25 -0.428 -8.927 -9.379 1.00 0.00 C ATOM 2114 O THR C 25 -0.156 -9.816 -8.573 1.00 0.00 O ATOM 2115 CB THR C 25 0.346 -9.212 -11.758 1.00 0.00 C ATOM 2116 OG1 THR C 25 0.003 -9.760 -13.018 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.564 -9.959 -11.255 1.00 0.00 C ATOM 0 H THR C 25 -1.604 -7.752 -12.051 1.00 0.00 H new ATOM 0 HA THR C 25 -1.263 -10.273 -10.811 1.00 0.00 H new ATOM 0 HB THR C 25 0.602 -8.155 -11.832 1.00 0.00 H new ATOM 0 HG1 THR C 25 0.779 -9.719 -13.615 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.369 -9.876 -11.985 1.00 0.00 H new ATOM 0 HG22 THR C 25 1.888 -9.530 -10.307 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.312 -11.010 -11.110 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.393 -7.635 -9.076 1.00 0.00 N ATOM 2126 CA PHE C 26 -0.023 -7.167 -7.747 1.00 0.00 C ATOM 2127 C PHE C 26 -1.050 -7.612 -6.709 1.00 0.00 C ATOM 2128 O PHE C 26 -0.699 -8.160 -5.665 1.00 0.00 O ATOM 2129 CB PHE C 26 0.099 -5.642 -7.730 1.00 0.00 C ATOM 2130 CG PHE C 26 0.861 -5.116 -6.547 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.240 -5.226 -6.491 1.00 0.00 C ATOM 2132 CD2 PHE C 26 0.196 -4.513 -5.490 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.945 -4.745 -5.403 1.00 0.00 C ATOM 2134 CE2 PHE C 26 0.895 -4.030 -4.400 1.00 0.00 C ATOM 2135 CZ PHE C 26 2.270 -4.145 -4.356 1.00 0.00 C ATOM 0 H PHE C 26 -0.617 -6.890 -9.736 1.00 0.00 H new ATOM 0 HA PHE C 26 0.943 -7.605 -7.495 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.592 -5.314 -8.645 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -0.900 -5.205 -7.733 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.771 -5.693 -7.307 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -0.880 -4.420 -5.519 1.00 0.00 H new ATOM 0 HE1 PHE C 26 4.021 -4.838 -5.371 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.366 -3.563 -3.583 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.818 -3.767 -3.505 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.321 -7.353 -7.002 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.411 -7.705 -6.096 1.00 0.00 C ATOM 2147 C GLU C 27 -3.414 -9.193 -5.750 1.00 0.00 C ATOM 2148 O GLU C 27 -3.504 -9.565 -4.580 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.755 -7.316 -6.715 1.00 0.00 C ATOM 2150 CG GLU C 27 -4.942 -5.816 -6.873 1.00 0.00 C ATOM 2151 CD GLU C 27 -6.267 -5.457 -7.517 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -6.377 -5.578 -8.755 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -7.195 -5.056 -6.783 1.00 0.00 O ATOM 0 H GLU C 27 -2.623 -6.898 -7.864 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.256 -7.150 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.846 -7.790 -7.692 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -5.559 -7.710 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -4.878 -5.341 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -4.128 -5.414 -7.477 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.351 -10.042 -6.771 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.383 -11.487 -6.566 1.00 0.00 C ATOM 2162 C LYS C 28 -2.135 -12.008 -5.853 1.00 0.00 C ATOM 2163 O LYS C 28 -2.240 -12.782 -4.900 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.546 -12.205 -7.908 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.963 -13.661 -7.771 1.00 0.00 C ATOM 2166 CD LYS C 28 -4.496 -14.216 -9.082 1.00 0.00 C ATOM 2167 CE LYS C 28 -5.911 -13.732 -9.356 1.00 0.00 C ATOM 2168 NZ LYS C 28 -6.460 -14.308 -10.615 1.00 0.00 N ATOM 0 H LYS C 28 -3.278 -9.756 -7.747 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.238 -11.697 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.289 -11.677 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.604 -12.155 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -3.110 -14.255 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.728 -13.750 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -3.842 -13.913 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -4.483 -15.305 -9.050 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -6.556 -14.004 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -5.916 -12.644 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -7.426 -13.954 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -5.859 -14.028 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -6.479 -15.345 -10.543 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.957 -11.597 -6.312 1.00 0.00 N ATOM 2183 CA VAL C 29 0.296 -12.046 -5.707 1.00 0.00 C ATOM 2184 C VAL C 29 0.418 -11.617 -4.246 1.00 0.00 C ATOM 2185 O VAL C 29 0.896 -12.379 -3.408 1.00 0.00 O ATOM 2186 CB VAL C 29 1.518 -11.515 -6.481 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.814 -11.988 -5.836 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.454 -11.944 -7.939 1.00 0.00 C ATOM 0 H VAL C 29 -0.842 -10.957 -7.097 1.00 0.00 H new ATOM 0 HA VAL C 29 0.277 -13.135 -5.754 1.00 0.00 H new ATOM 0 HB VAL C 29 1.500 -10.426 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.663 -11.601 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.863 -11.624 -4.810 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.844 -13.078 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.325 -11.560 -8.470 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.444 -13.032 -7.998 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.547 -11.548 -8.395 1.00 0.00 H new ATOM 2198 N VAL C 30 0.000 -10.392 -3.950 1.00 0.00 N ATOM 2199 CA VAL C 30 0.086 -9.867 -2.591 1.00 0.00 C ATOM 2200 C VAL C 30 -0.892 -10.562 -1.651 1.00 0.00 C ATOM 2201 O VAL C 30 -0.524 -10.942 -0.540 1.00 0.00 O ATOM 2202 CB VAL C 30 -0.148 -8.344 -2.553 1.00 0.00 C ATOM 2203 CG1 VAL C 30 -0.017 -7.808 -1.133 1.00 0.00 C ATOM 2204 CG2 VAL C 30 0.830 -7.638 -3.481 1.00 0.00 C ATOM 0 H VAL C 30 -0.401 -9.745 -4.629 1.00 0.00 H new ATOM 0 HA VAL C 30 1.100 -10.072 -2.246 1.00 0.00 H new ATOM 0 HB VAL C 30 -1.163 -8.145 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.187 -6.731 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.755 -8.291 -0.492 1.00 0.00 H new ATOM 0 HG13 VAL C 30 0.984 -8.017 -0.756 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.654 -6.563 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.851 -7.850 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.686 -7.995 -4.501 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.134 -10.736 -2.089 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.137 -11.395 -1.264 1.00 0.00 C ATOM 2216 C LYS C 31 -2.756 -12.850 -1.015 1.00 0.00 C ATOM 2217 O LYS C 31 -2.825 -13.337 0.111 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.507 -11.324 -1.939 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.670 -11.537 -0.984 1.00 0.00 C ATOM 2220 CD LYS C 31 -7.005 -11.313 -1.677 1.00 0.00 C ATOM 2221 CE LYS C 31 -8.136 -12.020 -0.948 1.00 0.00 C ATOM 2222 NZ LYS C 31 -9.422 -11.920 -1.690 1.00 0.00 N ATOM 0 H LYS C 31 -2.468 -10.432 -3.004 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.185 -10.878 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.616 -10.351 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.553 -12.075 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.632 -12.550 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.578 -10.855 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.215 -10.245 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -6.949 -11.676 -2.703 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -7.878 -13.070 -0.809 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -8.255 -11.586 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -10.168 -12.415 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.682 -10.919 -1.801 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -9.316 -12.356 -2.628 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.343 -13.535 -2.074 1.00 0.00 N ATOM 2237 CA GLN C 32 -1.942 -14.932 -1.971 1.00 0.00 C ATOM 2238 C GLN C 32 -0.709 -15.088 -1.085 1.00 0.00 C ATOM 2239 O GLN C 32 -0.656 -15.977 -0.235 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.669 -15.514 -3.359 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.605 -17.033 -3.375 1.00 0.00 C ATOM 2242 CD GLN C 32 -2.977 -17.673 -3.451 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -3.646 -17.856 -2.435 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -3.403 -18.018 -4.660 1.00 0.00 N ATOM 0 H GLN C 32 -2.277 -13.145 -3.014 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.763 -15.482 -1.512 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.450 -15.183 -4.043 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.727 -15.114 -3.734 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -1.008 -17.359 -4.227 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -1.095 -17.381 -2.477 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -2.815 -17.848 -5.476 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -4.318 -18.453 -4.773 1.00 0.00 H new ATOM 2253 N PHE C 33 0.275 -14.213 -1.280 1.00 0.00 N ATOM 2254 CA PHE C 33 1.504 -14.240 -0.492 1.00 0.00 C ATOM 2255 C PHE C 33 1.269 -13.875 0.973 1.00 0.00 C ATOM 2256 O PHE C 33 1.765 -14.555 1.873 1.00 0.00 O ATOM 2257 CB PHE C 33 2.540 -13.321 -1.158 1.00 0.00 C ATOM 2258 CG PHE C 33 3.627 -12.800 -0.255 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.471 -13.652 0.439 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.810 -11.433 -0.129 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.475 -13.144 1.250 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.807 -10.920 0.676 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.639 -11.774 1.368 1.00 0.00 C ATOM 0 H PHE C 33 0.244 -13.473 -1.981 1.00 0.00 H new ATOM 0 HA PHE C 33 1.887 -15.260 -0.475 1.00 0.00 H new ATOM 0 HB2 PHE C 33 3.005 -13.865 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE C 33 2.017 -12.470 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.346 -14.721 0.348 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.163 -10.758 -0.669 1.00 0.00 H new ATOM 0 HE1 PHE C 33 6.127 -13.815 1.788 1.00 0.00 H new ATOM 0 HE2 PHE C 33 4.935 -9.851 0.764 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.418 -11.375 2.001 1.00 0.00 H new ATOM 2273 N PHE C 34 0.533 -12.799 1.212 1.00 0.00 N ATOM 2274 CA PHE C 34 0.262 -12.350 2.575 1.00 0.00 C ATOM 2275 C PHE C 34 -0.815 -13.178 3.283 1.00 0.00 C ATOM 2276 O PHE C 34 -0.749 -13.365 4.498 1.00 0.00 O ATOM 2277 CB PHE C 34 -0.061 -10.860 2.582 1.00 0.00 C ATOM 2278 CG PHE C 34 1.191 -10.035 2.521 1.00 0.00 C ATOM 2279 CD1 PHE C 34 2.018 -9.942 3.629 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.563 -9.387 1.354 1.00 0.00 C ATOM 2281 CE1 PHE C 34 3.190 -9.215 3.578 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.740 -8.660 1.295 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.552 -8.574 2.410 1.00 0.00 C ATOM 0 H PHE C 34 0.113 -12.221 0.484 1.00 0.00 H new ATOM 0 HA PHE C 34 1.170 -12.511 3.156 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.700 -10.619 1.733 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.621 -10.610 3.483 1.00 0.00 H new ATOM 0 HD1 PHE C 34 1.742 -10.445 4.544 1.00 0.00 H new ATOM 0 HD2 PHE C 34 0.929 -9.450 0.482 1.00 0.00 H new ATOM 0 HE1 PHE C 34 3.823 -9.148 4.450 1.00 0.00 H new ATOM 0 HE2 PHE C 34 3.023 -8.161 0.380 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.469 -8.006 2.368 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.791 -13.695 2.538 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.839 -14.520 3.147 1.00 0.00 C ATOM 2295 C ASN C 35 -2.232 -15.672 3.951 1.00 0.00 C ATOM 2296 O ASN C 35 -2.801 -16.114 4.950 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.811 -15.060 2.088 1.00 0.00 C ATOM 2298 CG ASN C 35 -4.896 -14.065 1.698 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -5.989 -14.461 1.294 1.00 0.00 O ATOM 2300 ND2 ASN C 35 -4.614 -12.771 1.822 1.00 0.00 N ATOM 0 H ASN C 35 -1.880 -13.562 1.531 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.402 -13.883 3.829 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.248 -15.339 1.198 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.280 -15.968 2.466 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -5.315 -12.071 1.579 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -3.697 -12.479 2.160 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.071 -16.142 3.511 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.366 -17.233 4.184 1.00 0.00 C ATOM 2309 C ASP C 36 0.026 -16.853 5.616 1.00 0.00 C ATOM 2310 O ASP C 36 0.324 -17.722 6.436 1.00 0.00 O ATOM 2311 CB ASP C 36 0.879 -17.632 3.387 1.00 0.00 C ATOM 2312 CG ASP C 36 0.536 -18.431 2.144 1.00 0.00 C ATOM 2313 OD1 ASP C 36 0.354 -19.662 2.261 1.00 0.00 O ATOM 2314 OD2 ASP C 36 0.451 -17.827 1.055 1.00 0.00 O ATOM 0 H ASP C 36 -0.592 -15.783 2.685 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.046 -18.083 4.238 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.427 -16.734 3.099 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.541 -18.220 4.023 1.00 0.00 H new ATOM 2319 N ASN C 37 0.036 -15.552 5.906 1.00 0.00 N ATOM 2320 CA ASN C 37 0.403 -15.070 7.240 1.00 0.00 C ATOM 2321 C ASN C 37 -0.825 -14.695 8.066 1.00 0.00 C ATOM 2322 O ASN C 37 -0.756 -14.637 9.294 1.00 0.00 O ATOM 2323 CB ASN C 37 1.336 -13.859 7.149 1.00 0.00 C ATOM 2324 CG ASN C 37 2.352 -13.975 6.033 1.00 0.00 C ATOM 2325 OD1 ASN C 37 3.191 -14.876 6.029 1.00 0.00 O ATOM 2326 ND2 ASN C 37 2.284 -13.054 5.081 1.00 0.00 N ATOM 0 H ASN C 37 -0.204 -14.816 5.241 1.00 0.00 H new ATOM 0 HA ASN C 37 0.920 -15.891 7.738 1.00 0.00 H new ATOM 0 HB2 ASN C 37 0.740 -12.959 6.998 1.00 0.00 H new ATOM 0 HB3 ASN C 37 1.859 -13.739 8.098 1.00 0.00 H new ATOM 0 HD21 ASN C 37 2.944 -13.074 4.304 1.00 0.00 H new ATOM 0 HD22 ASN C 37 1.571 -12.326 5.126 1.00 0.00 H new ATOM 2333 N GLY C 38 -1.947 -14.442 7.399 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.160 -14.081 8.113 1.00 0.00 C ATOM 2335 C GLY C 38 -3.761 -12.763 7.649 1.00 0.00 C ATOM 2336 O GLY C 38 -4.597 -12.182 8.342 1.00 0.00 O ATOM 0 H GLY C 38 -2.039 -14.480 6.384 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -3.898 -14.873 7.986 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -2.941 -14.017 9.179 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.346 -12.292 6.476 1.00 0.00 N ATOM 2341 CA VAL C 39 -3.866 -11.040 5.931 1.00 0.00 C ATOM 2342 C VAL C 39 -5.124 -11.297 5.109 1.00 0.00 C ATOM 2343 O VAL C 39 -5.227 -12.315 4.424 1.00 0.00 O ATOM 2344 CB VAL C 39 -2.823 -10.328 5.048 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.329 -8.958 4.615 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.499 -10.203 5.785 1.00 0.00 C ATOM 0 H VAL C 39 -2.654 -12.755 5.887 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.104 -10.395 6.777 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.663 -10.929 4.153 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.577 -8.473 3.993 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.251 -9.074 4.046 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.521 -8.346 5.496 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.774 -9.698 5.147 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.644 -9.625 6.698 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.129 -11.196 6.039 1.00 0.00 H new ATOM 2356 N ASP C 40 -6.084 -10.379 5.180 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.331 -10.532 4.437 1.00 0.00 C ATOM 2358 C ASP C 40 -7.994 -9.181 4.183 1.00 0.00 C ATOM 2359 O ASP C 40 -7.471 -8.135 4.566 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.291 -11.446 5.202 1.00 0.00 C ATOM 2361 CG ASP C 40 -7.881 -12.904 5.130 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -8.175 -13.553 4.105 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -7.267 -13.396 6.100 1.00 0.00 O ATOM 0 H ASP C 40 -6.024 -9.528 5.739 1.00 0.00 H new ATOM 0 HA ASP C 40 -7.094 -10.982 3.473 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.332 -11.134 6.246 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.296 -11.334 4.796 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.153 -9.217 3.532 1.00 0.00 N ATOM 2369 CA GLY C 41 -9.877 -7.996 3.229 1.00 0.00 C ATOM 2370 C GLY C 41 -10.036 -7.775 1.737 1.00 0.00 C ATOM 2371 O GLY C 41 -10.196 -8.730 0.977 1.00 0.00 O ATOM 0 H GLY C 41 -9.604 -10.073 3.208 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -10.862 -8.035 3.695 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.351 -7.147 3.666 1.00 0.00 H new ATOM 2375 N GLU C 42 -9.994 -6.515 1.315 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.136 -6.179 -0.099 1.00 0.00 C ATOM 2377 C GLU C 42 -9.340 -4.925 -0.447 1.00 0.00 C ATOM 2378 O GLU C 42 -9.054 -4.098 0.418 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.610 -5.975 -0.450 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.399 -7.272 -0.535 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.748 -7.090 -1.204 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -13.778 -6.609 -2.356 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -14.773 -7.428 -0.577 1.00 0.00 O ATOM 0 H GLU C 42 -9.863 -5.711 1.929 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.741 -7.010 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.068 -5.329 0.299 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.679 -5.454 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -11.819 -8.010 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.546 -7.670 0.469 1.00 0.00 H new ATOM 2390 N TRP C 43 -8.984 -4.793 -1.721 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.221 -3.642 -2.188 1.00 0.00 C ATOM 2392 C TRP C 43 -9.080 -2.388 -2.216 1.00 0.00 C ATOM 2393 O TRP C 43 -10.117 -2.342 -2.877 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.644 -3.912 -3.579 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.447 -4.812 -3.558 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.423 -6.149 -3.836 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.100 -4.443 -3.241 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.144 -6.633 -3.712 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.313 -5.606 -3.348 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.482 -3.243 -2.879 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -2.942 -5.603 -3.104 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.121 -3.241 -2.638 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.364 -4.413 -2.752 1.00 0.00 C ATOM 0 H TRP C 43 -9.212 -5.470 -2.449 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.401 -3.479 -1.488 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.416 -4.360 -4.205 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.369 -2.964 -4.041 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.284 -6.739 -4.113 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -4.859 -7.600 -3.866 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -5.058 -2.334 -2.789 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.356 -6.506 -3.189 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.633 -2.319 -2.357 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.302 -4.378 -2.558 1.00 0.00 H new ATOM 2414 N THR C 44 -8.634 -1.367 -1.493 1.00 0.00 N ATOM 2415 CA THR C 44 -9.351 -0.105 -1.431 1.00 0.00 C ATOM 2416 C THR C 44 -8.527 1.009 -2.063 1.00 0.00 C ATOM 2417 O THR C 44 -7.318 1.100 -1.855 1.00 0.00 O ATOM 2418 CB THR C 44 -9.686 0.247 0.018 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.505 0.357 0.793 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.584 -0.769 0.689 1.00 0.00 C ATOM 0 H THR C 44 -7.777 -1.392 -0.941 1.00 0.00 H new ATOM 0 HA THR C 44 -10.281 -0.211 -1.990 1.00 0.00 H new ATOM 0 HB THR C 44 -10.216 1.198 -0.031 1.00 0.00 H new ATOM 0 HG1 THR C 44 -7.725 0.368 0.200 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.782 -0.458 1.715 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.525 -0.840 0.143 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.093 -1.742 0.693 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.199 1.859 -2.821 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.545 2.985 -3.475 1.00 0.00 C ATOM 2430 C TYR C 45 -8.151 4.045 -2.452 1.00 0.00 C ATOM 2431 O TYR C 45 -8.882 4.298 -1.495 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.460 3.596 -4.538 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.463 2.835 -5.845 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.469 3.046 -6.792 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.458 1.909 -6.132 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.465 2.355 -7.989 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.460 1.214 -7.328 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.462 1.440 -8.251 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.461 0.752 -9.442 1.00 0.00 O ATOM 0 H TYR C 45 -10.201 1.792 -3.000 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.642 2.616 -3.962 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.477 3.637 -4.149 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.149 4.623 -4.726 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.686 3.762 -6.590 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.241 1.729 -5.411 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -7.685 2.531 -8.715 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.240 0.497 -7.538 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.230 0.145 -9.470 1.00 0.00 H new ATOM 2449 N ASP C 46 -6.991 4.663 -2.656 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.509 5.695 -1.746 1.00 0.00 C ATOM 2451 C ASP C 46 -7.336 6.969 -1.884 1.00 0.00 C ATOM 2452 O ASP C 46 -7.996 7.186 -2.900 1.00 0.00 O ATOM 2453 CB ASP C 46 -5.037 6.012 -2.022 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.093 5.007 -1.395 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -3.795 3.985 -2.047 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.649 5.245 -0.253 1.00 0.00 O ATOM 0 H ASP C 46 -6.370 4.467 -3.441 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.610 5.315 -0.729 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -4.871 6.037 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.807 7.007 -1.641 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.295 7.811 -0.856 1.00 0.00 N ATOM 2462 CA ASP C 47 -8.043 9.062 -0.865 1.00 0.00 C ATOM 2463 C ASP C 47 -7.485 10.016 -1.918 1.00 0.00 C ATOM 2464 O ASP C 47 -6.271 10.174 -2.047 1.00 0.00 O ATOM 2465 CB ASP C 47 -7.994 9.722 0.516 1.00 0.00 C ATOM 2466 CG ASP C 47 -9.002 9.125 1.477 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -8.721 8.045 2.039 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -10.074 9.738 1.670 1.00 0.00 O ATOM 0 H ASP C 47 -6.752 7.649 -0.008 1.00 0.00 H new ATOM 0 HA ASP C 47 -9.080 8.837 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -6.992 9.615 0.932 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -8.183 10.790 0.412 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.381 10.641 -2.677 1.00 0.00 N ATOM 2474 CA ALA C 48 -7.984 11.571 -3.728 1.00 0.00 C ATOM 2475 C ALA C 48 -7.101 12.691 -3.189 1.00 0.00 C ATOM 2476 O ALA C 48 -7.328 13.206 -2.095 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.216 12.151 -4.407 1.00 0.00 C ATOM 0 H ALA C 48 -9.389 10.519 -2.583 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.398 11.014 -4.459 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.908 12.844 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.803 11.344 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -9.821 12.681 -3.671 1.00 0.00 H new ATOM 2483 N THR C 49 -6.092 13.062 -3.972 1.00 0.00 N ATOM 2484 CA THR C 49 -5.166 14.123 -3.589 1.00 0.00 C ATOM 2485 C THR C 49 -4.939 15.087 -4.749 1.00 0.00 C ATOM 2486 O THR C 49 -5.125 14.729 -5.911 1.00 0.00 O ATOM 2487 CB THR C 49 -3.831 13.526 -3.137 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.040 12.447 -2.246 1.00 0.00 O ATOM 2489 CG2 THR C 49 -2.933 14.528 -2.443 1.00 0.00 C ATOM 0 H THR C 49 -5.894 12.641 -4.880 1.00 0.00 H new ATOM 0 HA THR C 49 -5.607 14.676 -2.759 1.00 0.00 H new ATOM 0 HB THR C 49 -3.339 13.193 -4.051 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.175 12.078 -1.970 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.004 14.041 -2.148 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.712 15.350 -3.123 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.436 14.915 -1.557 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.539 16.314 -4.428 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.291 17.325 -5.449 1.00 0.00 C ATOM 2499 C LYS C 50 -2.845 17.812 -5.400 1.00 0.00 C ATOM 2500 O LYS C 50 -2.237 17.881 -4.333 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.248 18.505 -5.270 1.00 0.00 C ATOM 2502 CG LYS C 50 -6.561 18.340 -6.017 1.00 0.00 C ATOM 2503 CD LYS C 50 -7.605 19.338 -5.541 1.00 0.00 C ATOM 2504 CE LYS C 50 -9.005 18.749 -5.596 1.00 0.00 C ATOM 2505 NZ LYS C 50 -10.029 19.699 -5.081 1.00 0.00 N ATOM 0 H LYS C 50 -4.380 16.631 -3.472 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.465 16.869 -6.424 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -5.457 18.635 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -4.757 19.416 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -6.391 18.472 -7.086 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -6.935 17.326 -5.876 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.378 19.644 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -7.562 20.234 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -9.245 18.479 -6.625 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -9.035 17.830 -5.010 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -10.809 19.166 -4.646 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -9.597 20.323 -4.370 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -10.397 20.272 -5.867 1.00 0.00 H new ATOM 2519 N THR C 51 -2.302 18.143 -6.567 1.00 0.00 N ATOM 2520 CA THR C 51 -0.928 18.618 -6.672 1.00 0.00 C ATOM 2521 C THR C 51 -0.845 19.780 -7.663 1.00 0.00 C ATOM 2522 O THR C 51 -1.336 19.685 -8.788 1.00 0.00 O ATOM 2523 CB THR C 51 -0.011 17.463 -7.094 1.00 0.00 C ATOM 2524 OG1 THR C 51 0.149 16.547 -6.025 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.376 17.902 -7.523 1.00 0.00 C ATOM 0 H THR C 51 -2.796 18.090 -7.458 1.00 0.00 H new ATOM 0 HA THR C 51 -0.596 18.983 -5.700 1.00 0.00 H new ATOM 0 HB THR C 51 -0.505 17.008 -7.953 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.501 15.700 -6.370 1.00 0.00 H new ATOM 0 HG21 THR C 51 1.963 17.028 -7.806 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.297 18.577 -8.375 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.867 18.417 -6.697 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.221 20.876 -7.235 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.075 22.059 -8.079 1.00 0.00 C ATOM 2535 C PHE C 52 1.092 21.911 -9.050 1.00 0.00 C ATOM 2536 O PHE C 52 2.237 21.736 -8.635 1.00 0.00 O ATOM 2537 CB PHE C 52 0.124 23.309 -7.217 1.00 0.00 C ATOM 2538 CG PHE C 52 0.028 24.594 -7.992 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -1.207 25.140 -8.303 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.174 25.254 -8.407 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -1.297 26.321 -9.016 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.088 26.435 -9.121 1.00 0.00 C ATOM 2543 CZ PHE C 52 -0.148 26.969 -9.425 1.00 0.00 C ATOM 0 H PHE C 52 0.192 20.969 -6.307 1.00 0.00 H new ATOM 0 HA PHE C 52 -0.991 22.164 -8.660 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.623 23.316 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE C 52 1.100 23.257 -6.735 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -2.109 24.638 -7.985 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.144 24.842 -8.170 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -2.265 26.737 -9.253 1.00 0.00 H new ATOM 0 HE2 PHE C 52 1.988 26.940 -9.441 1.00 0.00 H new ATOM 0 HZ PHE C 52 -0.216 27.892 -9.982 1.00 0.00 H new ATOM 2553 N THR C 53 0.800 22.001 -10.343 1.00 0.00 N ATOM 2554 CA THR C 53 1.833 21.894 -11.364 1.00 0.00 C ATOM 2555 C THR C 53 2.324 23.281 -11.768 1.00 0.00 C ATOM 2556 O THR C 53 1.533 24.137 -12.163 1.00 0.00 O ATOM 2557 CB THR C 53 1.300 21.146 -12.589 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.877 19.842 -12.235 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.319 21.010 -13.701 1.00 0.00 C ATOM 0 H THR C 53 -0.141 22.147 -10.707 1.00 0.00 H new ATOM 0 HA THR C 53 2.670 21.332 -10.950 1.00 0.00 H new ATOM 0 HB THR C 53 0.467 21.748 -12.953 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.200 19.898 -11.529 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.875 20.470 -14.537 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.630 22.001 -14.033 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.186 20.461 -13.334 1.00 0.00 H new ATOM 2567 N VAL C 54 3.632 23.503 -11.660 1.00 0.00 N ATOM 2568 CA VAL C 54 4.213 24.793 -12.011 1.00 0.00 C ATOM 2569 C VAL C 54 4.181 25.016 -13.517 1.00 0.00 C ATOM 2570 O VAL C 54 4.127 24.065 -14.296 1.00 0.00 O ATOM 2571 CB VAL C 54 5.668 24.921 -11.522 1.00 0.00 C ATOM 2572 CG1 VAL C 54 6.130 26.368 -11.600 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.813 24.386 -10.105 1.00 0.00 C ATOM 0 H VAL C 54 4.305 22.809 -11.334 1.00 0.00 H new ATOM 0 HA VAL C 54 3.607 25.550 -11.514 1.00 0.00 H new ATOM 0 HB VAL C 54 6.302 24.321 -12.175 1.00 0.00 H new ATOM 0 HG11 VAL C 54 7.160 26.440 -11.251 1.00 0.00 H new ATOM 0 HG12 VAL C 54 6.072 26.713 -12.632 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.490 26.989 -10.973 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.849 24.487 -9.782 1.00 0.00 H new ATOM 0 HG22 VAL C 54 5.167 24.952 -9.434 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.527 23.334 -10.082 1.00 0.00 H new ATOM 2583 N THR C 55 4.216 26.281 -13.919 1.00 0.00 N ATOM 2584 CA THR C 55 4.192 26.635 -15.332 1.00 0.00 C ATOM 2585 C THR C 55 4.961 27.928 -15.580 1.00 0.00 C ATOM 2586 O THR C 55 6.032 27.921 -16.187 1.00 0.00 O ATOM 2587 CB THR C 55 2.750 26.781 -15.818 1.00 0.00 C ATOM 2588 OG1 THR C 55 2.017 25.594 -15.571 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.643 27.086 -17.297 1.00 0.00 C ATOM 0 H THR C 55 4.261 27.079 -13.285 1.00 0.00 H new ATOM 0 HA THR C 55 4.675 25.834 -15.892 1.00 0.00 H new ATOM 0 HB THR C 55 2.341 27.623 -15.260 1.00 0.00 H new ATOM 0 HG1 THR C 55 1.164 25.631 -16.051 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.593 27.177 -17.575 1.00 0.00 H new ATOM 0 HG22 THR C 55 3.158 28.022 -17.514 1.00 0.00 H new ATOM 0 HG23 THR C 55 3.101 26.279 -17.869 1.00 0.00 H new ATOM 2597 N GLU C 56 4.406 29.033 -15.103 1.00 0.00 N ATOM 2598 CA GLU C 56 5.034 30.340 -15.264 1.00 0.00 C ATOM 2599 C GLU C 56 5.224 30.676 -16.740 1.00 0.00 C ATOM 2600 O GLU C 56 4.830 29.849 -17.590 1.00 0.00 O ATOM 2601 CB GLU C 56 6.383 30.372 -14.544 1.00 0.00 C ATOM 2602 CG GLU C 56 6.308 29.934 -13.091 1.00 0.00 C ATOM 2603 CD GLU C 56 7.674 29.812 -12.445 1.00 0.00 C ATOM 2604 OE1 GLU C 56 8.434 30.802 -12.473 1.00 0.00 O ATOM 2605 OE2 GLU C 56 7.984 28.724 -11.914 1.00 0.00 O ATOM 2606 OXT GLU C 56 5.764 31.763 -17.033 1.00 0.00 O ATOM 0 H GLU C 56 3.519 29.052 -14.599 1.00 0.00 H new ATOM 0 HA GLU C 56 4.376 31.088 -14.822 1.00 0.00 H new ATOM 0 HB2 GLU C 56 7.083 29.726 -15.074 1.00 0.00 H new ATOM 0 HB3 GLU C 56 6.786 31.384 -14.589 1.00 0.00 H new ATOM 0 HG2 GLU C 56 5.708 30.651 -12.530 1.00 0.00 H new ATOM 0 HG3 GLU C 56 5.795 28.974 -13.031 1.00 0.00 H new ATOM 2614 N MET D 1 0.566 2.438 -12.124 1.00 0.00 N ATOM 2615 CA MET D 1 -0.313 2.284 -10.937 1.00 0.00 C ATOM 2616 C MET D 1 0.505 2.219 -9.651 1.00 0.00 C ATOM 2617 O MET D 1 1.334 1.329 -9.475 1.00 0.00 O ATOM 2618 CB MET D 1 -1.138 1.005 -11.105 1.00 0.00 C ATOM 2619 CG MET D 1 -2.544 1.109 -10.535 1.00 0.00 C ATOM 2620 SD MET D 1 -2.583 0.903 -8.744 1.00 0.00 S ATOM 2621 CE MET D 1 -3.013 2.561 -8.221 1.00 0.00 C ATOM 0 H1 MET D 1 -0.017 2.479 -12.984 1.00 0.00 H new ATOM 0 H2 MET D 1 1.117 3.316 -12.036 1.00 0.00 H new ATOM 0 H3 MET D 1 1.214 1.627 -12.184 1.00 0.00 H new ATOM 0 HA MET D 1 -0.972 3.149 -10.863 1.00 0.00 H new ATOM 0 HB2 MET D 1 -1.202 0.760 -12.165 1.00 0.00 H new ATOM 0 HB3 MET D 1 -0.618 0.180 -10.618 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.966 2.080 -10.795 1.00 0.00 H new ATOM 0 HG3 MET D 1 -3.177 0.352 -10.998 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.546 2.516 -7.271 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.105 3.151 -8.099 1.00 0.00 H new ATOM 0 HE3 MET D 1 -3.650 3.026 -8.973 1.00 0.00 H new ATOM 2633 N GLN D 2 0.262 3.169 -8.754 1.00 0.00 N ATOM 2634 CA GLN D 2 0.974 3.221 -7.483 1.00 0.00 C ATOM 2635 C GLN D 2 0.257 2.379 -6.434 1.00 0.00 C ATOM 2636 O GLN D 2 -0.926 2.585 -6.162 1.00 0.00 O ATOM 2637 CB GLN D 2 1.098 4.667 -7.000 1.00 0.00 C ATOM 2638 CG GLN D 2 2.155 4.862 -5.925 1.00 0.00 C ATOM 2639 CD GLN D 2 2.434 6.325 -5.641 1.00 0.00 C ATOM 2640 OE1 GLN D 2 3.025 7.027 -6.462 1.00 0.00 O ATOM 2641 NE2 GLN D 2 2.009 6.793 -4.473 1.00 0.00 N ATOM 0 H GLN D 2 -0.423 3.913 -8.884 1.00 0.00 H new ATOM 0 HA GLN D 2 1.974 2.814 -7.633 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.335 5.306 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN D 2 0.133 4.996 -6.613 1.00 0.00 H new ATOM 0 HG2 GLN D 2 1.829 4.373 -5.007 1.00 0.00 H new ATOM 0 HG3 GLN D 2 3.078 4.373 -6.236 1.00 0.00 H new ATOM 0 HE21 GLN D 2 1.523 6.176 -3.822 1.00 0.00 H new ATOM 0 HE22 GLN D 2 2.168 7.770 -4.227 1.00 0.00 H new ATOM 2650 N TYR D 3 0.977 1.423 -5.857 1.00 0.00 N ATOM 2651 CA TYR D 3 0.402 0.541 -4.848 1.00 0.00 C ATOM 2652 C TYR D 3 0.939 0.847 -3.453 1.00 0.00 C ATOM 2653 O TYR D 3 2.149 0.901 -3.231 1.00 0.00 O ATOM 2654 CB TYR D 3 0.675 -0.922 -5.204 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.272 -1.476 -6.243 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.544 -1.908 -5.888 1.00 0.00 C ATOM 2657 CD2 TYR D 3 0.103 -1.567 -7.578 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.415 -2.415 -6.833 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -0.763 -2.071 -8.529 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.021 -2.494 -8.152 1.00 0.00 C ATOM 2661 OH TYR D 3 -2.886 -2.998 -9.096 1.00 0.00 O ATOM 0 H TYR D 3 1.957 1.239 -6.070 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.674 0.716 -4.836 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.698 -1.014 -5.570 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.604 -1.527 -4.300 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -1.857 -1.846 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR D 3 1.087 -1.238 -7.877 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.400 -2.748 -6.540 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.457 -2.134 -9.563 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.081 -3.937 -8.893 1.00 0.00 H new ATOM 2671 N LYS D 4 0.013 1.040 -2.518 1.00 0.00 N ATOM 2672 CA LYS D 4 0.364 1.336 -1.133 1.00 0.00 C ATOM 2673 C LYS D 4 0.106 0.126 -0.242 1.00 0.00 C ATOM 2674 O LYS D 4 -0.997 -0.418 -0.219 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.430 2.541 -0.625 1.00 0.00 C ATOM 2676 CG LYS D 4 0.190 3.879 -0.995 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.682 5.041 -0.546 1.00 0.00 C ATOM 2678 CE LYS D 4 0.056 6.366 -0.660 1.00 0.00 C ATOM 2679 NZ LYS D 4 -0.879 7.525 -0.644 1.00 0.00 N ATOM 0 H LYS D 4 -0.990 0.996 -2.696 1.00 0.00 H new ATOM 0 HA LYS D 4 1.427 1.575 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -1.442 2.495 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -0.516 2.478 0.460 1.00 0.00 H new ATOM 0 HG2 LYS D 4 1.175 3.964 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS D 4 0.335 3.928 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS D 4 -1.587 5.074 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS D 4 -0.995 4.885 0.486 1.00 0.00 H new ATOM 0 HE2 LYS D 4 0.764 6.459 0.163 1.00 0.00 H new ATOM 0 HE3 LYS D 4 0.636 6.380 -1.583 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -0.337 8.409 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -1.539 7.450 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -1.415 7.526 0.247 1.00 0.00 H new ATOM 2693 N VAL D 5 1.136 -0.294 0.487 1.00 0.00 N ATOM 2694 CA VAL D 5 1.023 -1.447 1.374 1.00 0.00 C ATOM 2695 C VAL D 5 1.804 -1.238 2.667 1.00 0.00 C ATOM 2696 O VAL D 5 2.993 -0.922 2.641 1.00 0.00 O ATOM 2697 CB VAL D 5 1.526 -2.731 0.688 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.220 -3.951 1.543 1.00 0.00 C ATOM 2699 CG2 VAL D 5 0.913 -2.874 -0.696 1.00 0.00 C ATOM 0 H VAL D 5 2.056 0.146 0.481 1.00 0.00 H new ATOM 0 HA VAL D 5 -0.035 -1.555 1.611 1.00 0.00 H new ATOM 0 HB VAL D 5 2.608 -2.658 0.575 1.00 0.00 H new ATOM 0 HG11 VAL D 5 1.583 -4.848 1.041 1.00 0.00 H new ATOM 0 HG12 VAL D 5 1.714 -3.851 2.510 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.143 -4.030 1.692 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.281 -3.787 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL D 5 -0.173 -2.922 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.191 -2.015 -1.307 1.00 0.00 H new ATOM 2709 N ILE D 6 1.127 -1.425 3.798 1.00 0.00 N ATOM 2710 CA ILE D 6 1.756 -1.266 5.103 1.00 0.00 C ATOM 2711 C ILE D 6 2.274 -2.604 5.625 1.00 0.00 C ATOM 2712 O ILE D 6 1.503 -3.542 5.827 1.00 0.00 O ATOM 2713 CB ILE D 6 0.772 -0.674 6.130 1.00 0.00 C ATOM 2714 CG1 ILE D 6 0.083 0.566 5.556 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.493 -0.334 7.425 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -1.001 1.126 6.451 1.00 0.00 C ATOM 0 H ILE D 6 0.142 -1.687 3.835 1.00 0.00 H new ATOM 0 HA ILE D 6 2.592 -0.579 4.974 1.00 0.00 H new ATOM 0 HB ILE D 6 0.010 -1.422 6.349 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.832 1.338 5.379 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.350 0.315 4.588 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.782 0.083 8.139 1.00 0.00 H new ATOM 0 HG22 ILE D 6 1.938 -1.238 7.842 1.00 0.00 H new ATOM 0 HG23 ILE D 6 2.276 0.397 7.224 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.445 2.003 5.980 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -1.770 0.370 6.607 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -0.570 1.409 7.411 1.00 0.00 H new ATOM 2728 N LEU D 7 3.583 -2.688 5.843 1.00 0.00 N ATOM 2729 CA LEU D 7 4.194 -3.916 6.343 1.00 0.00 C ATOM 2730 C LEU D 7 5.177 -3.617 7.470 1.00 0.00 C ATOM 2731 O LEU D 7 6.197 -2.960 7.261 1.00 0.00 O ATOM 2732 CB LEU D 7 4.906 -4.662 5.211 1.00 0.00 C ATOM 2733 CG LEU D 7 4.745 -6.185 5.239 1.00 0.00 C ATOM 2734 CD1 LEU D 7 3.298 -6.571 4.973 1.00 0.00 C ATOM 2735 CD2 LEU D 7 5.670 -6.842 4.224 1.00 0.00 C ATOM 0 H LEU D 7 4.239 -1.924 5.682 1.00 0.00 H new ATOM 0 HA LEU D 7 3.399 -4.549 6.737 1.00 0.00 H new ATOM 0 HB2 LEU D 7 4.531 -4.289 4.258 1.00 0.00 H new ATOM 0 HB3 LEU D 7 5.969 -4.423 5.251 1.00 0.00 H new ATOM 0 HG LEU D 7 5.020 -6.542 6.232 1.00 0.00 H new ATOM 0 HD11 LEU D 7 3.201 -7.656 4.996 1.00 0.00 H new ATOM 0 HD12 LEU D 7 2.658 -6.133 5.739 1.00 0.00 H new ATOM 0 HD13 LEU D 7 2.997 -6.201 3.993 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.540 -7.924 4.260 1.00 0.00 H new ATOM 0 HD22 LEU D 7 5.429 -6.481 3.224 1.00 0.00 H new ATOM 0 HD23 LEU D 7 6.705 -6.593 4.460 1.00 0.00 H new ATOM 2950 N ASP D 22 7.098 -8.633 7.778 1.00 0.00 N ATOM 2951 CA ASP D 22 8.305 -7.853 8.022 1.00 0.00 C ATOM 2952 C ASP D 22 8.678 -6.998 6.819 1.00 0.00 C ATOM 2953 O ASP D 22 8.535 -7.414 5.671 1.00 0.00 O ATOM 2954 CB ASP D 22 9.468 -8.777 8.381 1.00 0.00 C ATOM 2955 CG ASP D 22 10.706 -8.011 8.804 1.00 0.00 C ATOM 2956 OD1 ASP D 22 10.557 -6.958 9.457 1.00 0.00 O ATOM 2957 OD2 ASP D 22 11.823 -8.467 8.483 1.00 0.00 O ATOM 0 HA ASP D 22 8.099 -7.184 8.858 1.00 0.00 H new ATOM 0 HB2 ASP D 22 9.163 -9.443 9.188 1.00 0.00 H new ATOM 0 HB3 ASP D 22 9.708 -9.405 7.523 1.00 0.00 H new ATOM 2962 N ALA D 23 9.163 -5.798 7.104 1.00 0.00 N ATOM 2963 CA ALA D 23 9.573 -4.863 6.070 1.00 0.00 C ATOM 2964 C ALA D 23 10.586 -5.501 5.121 1.00 0.00 C ATOM 2965 O ALA D 23 10.517 -5.314 3.906 1.00 0.00 O ATOM 2966 CB ALA D 23 10.149 -3.618 6.722 1.00 0.00 C ATOM 0 H ALA D 23 9.282 -5.448 8.054 1.00 0.00 H new ATOM 0 HA ALA D 23 8.703 -4.587 5.475 1.00 0.00 H new ATOM 0 HB1 ALA D 23 10.458 -2.913 5.950 1.00 0.00 H new ATOM 0 HB2 ALA D 23 9.391 -3.155 7.354 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.011 -3.892 7.330 1.00 0.00 H new ATOM 2972 N ALA D 24 11.521 -6.263 5.684 1.00 0.00 N ATOM 2973 CA ALA D 24 12.543 -6.940 4.891 1.00 0.00 C ATOM 2974 C ALA D 24 11.921 -8.008 4.000 1.00 0.00 C ATOM 2975 O ALA D 24 12.395 -8.267 2.894 1.00 0.00 O ATOM 2976 CB ALA D 24 13.596 -7.554 5.801 1.00 0.00 C ATOM 0 H ALA D 24 11.592 -6.427 6.688 1.00 0.00 H new ATOM 0 HA ALA D 24 13.023 -6.201 4.249 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.352 -8.055 5.196 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.067 -6.770 6.393 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.125 -8.278 6.466 1.00 0.00 H new ATOM 2982 N THR D 25 10.848 -8.624 4.491 1.00 0.00 N ATOM 2983 CA THR D 25 10.148 -9.662 3.745 1.00 0.00 C ATOM 2984 C THR D 25 9.573 -9.082 2.457 1.00 0.00 C ATOM 2985 O THR D 25 9.554 -9.741 1.417 1.00 0.00 O ATOM 2986 CB THR D 25 9.037 -10.265 4.613 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.591 -11.017 5.677 1.00 0.00 O ATOM 2988 CG2 THR D 25 8.089 -11.174 3.860 1.00 0.00 C ATOM 0 H THR D 25 10.445 -8.420 5.405 1.00 0.00 H new ATOM 0 HA THR D 25 10.850 -10.453 3.481 1.00 0.00 H new ATOM 0 HB THR D 25 8.469 -9.408 4.975 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.869 -11.393 6.222 1.00 0.00 H new ATOM 0 HG21 THR D 25 7.333 -11.559 4.545 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.603 -10.612 3.062 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.647 -12.006 3.430 1.00 0.00 H new ATOM 2996 N PHE D 26 9.124 -7.835 2.536 1.00 0.00 N ATOM 2997 CA PHE D 26 8.566 -7.144 1.379 1.00 0.00 C ATOM 2998 C PHE D 26 9.632 -6.929 0.308 1.00 0.00 C ATOM 2999 O PHE D 26 9.422 -7.235 -0.865 1.00 0.00 O ATOM 3000 CB PHE D 26 7.973 -5.797 1.795 1.00 0.00 C ATOM 3001 CG PHE D 26 7.033 -5.217 0.777 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.755 -5.730 0.626 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.429 -4.162 -0.030 1.00 0.00 C ATOM 3004 CE1 PHE D 26 4.888 -5.200 -0.311 1.00 0.00 C ATOM 3005 CE2 PHE D 26 6.565 -3.628 -0.967 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.293 -4.148 -1.108 1.00 0.00 C ATOM 0 H PHE D 26 9.135 -7.280 3.392 1.00 0.00 H new ATOM 0 HA PHE D 26 7.775 -7.769 0.964 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.443 -5.918 2.740 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.784 -5.091 1.973 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.433 -6.553 1.247 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.423 -3.753 0.075 1.00 0.00 H new ATOM 0 HE1 PHE D 26 3.894 -5.609 -0.420 1.00 0.00 H new ATOM 0 HE2 PHE D 26 6.884 -2.805 -1.589 1.00 0.00 H new ATOM 0 HZ PHE D 26 4.617 -3.732 -1.840 1.00 0.00 H new ATOM 3016 N GLU D 27 10.771 -6.384 0.725 1.00 0.00 N ATOM 3017 CA GLU D 27 11.874 -6.102 -0.191 1.00 0.00 C ATOM 3018 C GLU D 27 12.326 -7.350 -0.949 1.00 0.00 C ATOM 3019 O GLU D 27 12.473 -7.323 -2.170 1.00 0.00 O ATOM 3020 CB GLU D 27 13.057 -5.509 0.579 1.00 0.00 C ATOM 3021 CG GLU D 27 12.774 -4.137 1.167 1.00 0.00 C ATOM 3022 CD GLU D 27 13.948 -3.584 1.950 1.00 0.00 C ATOM 3023 OE1 GLU D 27 14.148 -4.016 3.106 1.00 0.00 O ATOM 3024 OE2 GLU D 27 14.669 -2.720 1.409 1.00 0.00 O ATOM 0 H GLU D 27 10.956 -6.128 1.695 1.00 0.00 H new ATOM 0 HA GLU D 27 11.511 -5.382 -0.925 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.334 -6.190 1.384 1.00 0.00 H new ATOM 0 HB3 GLU D 27 13.916 -5.439 -0.089 1.00 0.00 H new ATOM 0 HG2 GLU D 27 12.521 -3.446 0.363 1.00 0.00 H new ATOM 0 HG3 GLU D 27 11.903 -4.198 1.820 1.00 0.00 H new ATOM 3031 N LYS D 28 12.576 -8.431 -0.218 1.00 0.00 N ATOM 3032 CA LYS D 28 13.049 -9.673 -0.827 1.00 0.00 C ATOM 3033 C LYS D 28 11.994 -10.327 -1.721 1.00 0.00 C ATOM 3034 O LYS D 28 12.292 -10.720 -2.848 1.00 0.00 O ATOM 3035 CB LYS D 28 13.488 -10.658 0.257 1.00 0.00 C ATOM 3036 CG LYS D 28 14.330 -11.808 -0.271 1.00 0.00 C ATOM 3037 CD LYS D 28 15.068 -12.521 0.850 1.00 0.00 C ATOM 3038 CE LYS D 28 16.272 -11.721 1.320 1.00 0.00 C ATOM 3039 NZ LYS D 28 17.029 -12.433 2.386 1.00 0.00 N ATOM 0 H LYS D 28 12.460 -8.474 0.794 1.00 0.00 H new ATOM 0 HA LYS D 28 13.898 -9.413 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.057 -10.121 1.016 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.603 -11.062 0.749 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.690 -12.518 -0.795 1.00 0.00 H new ATOM 0 HG3 LYS D 28 15.049 -11.430 -0.998 1.00 0.00 H new ATOM 0 HD2 LYS D 28 14.390 -12.685 1.687 1.00 0.00 H new ATOM 0 HD3 LYS D 28 15.394 -13.503 0.506 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.932 -11.527 0.474 1.00 0.00 H new ATOM 0 HE3 LYS D 28 15.941 -10.753 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 17.842 -11.855 2.679 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 16.407 -12.596 3.203 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 17.367 -13.346 2.021 1.00 0.00 H new ATOM 3053 N VAL D 29 10.769 -10.454 -1.220 1.00 0.00 N ATOM 3054 CA VAL D 29 9.692 -11.077 -1.988 1.00 0.00 C ATOM 3055 C VAL D 29 9.374 -10.306 -3.268 1.00 0.00 C ATOM 3056 O VAL D 29 9.119 -10.905 -4.312 1.00 0.00 O ATOM 3057 CB VAL D 29 8.402 -11.199 -1.153 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.289 -11.846 -1.969 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.663 -11.987 0.121 1.00 0.00 C ATOM 0 H VAL D 29 10.496 -10.136 -0.290 1.00 0.00 H new ATOM 0 HA VAL D 29 10.052 -12.071 -2.255 1.00 0.00 H new ATOM 0 HB VAL D 29 8.079 -10.196 -0.875 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.388 -11.922 -1.360 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.082 -11.237 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.600 -12.842 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.741 -12.063 0.697 1.00 0.00 H new ATOM 0 HG22 VAL D 29 9.014 -12.987 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.421 -11.477 0.715 1.00 0.00 H new ATOM 3069 N VAL D 30 9.377 -8.981 -3.180 1.00 0.00 N ATOM 3070 CA VAL D 30 9.069 -8.143 -4.334 1.00 0.00 C ATOM 3071 C VAL D 30 10.172 -8.197 -5.386 1.00 0.00 C ATOM 3072 O VAL D 30 9.889 -8.336 -6.576 1.00 0.00 O ATOM 3073 CB VAL D 30 8.813 -6.679 -3.922 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.457 -5.826 -5.133 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.708 -6.611 -2.879 1.00 0.00 C ATOM 0 H VAL D 30 9.588 -8.465 -2.326 1.00 0.00 H new ATOM 0 HA VAL D 30 8.156 -8.546 -4.772 1.00 0.00 H new ATOM 0 HB VAL D 30 9.730 -6.281 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.281 -4.798 -4.815 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.279 -5.849 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.556 -6.220 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.537 -5.572 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.791 -7.030 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL D 30 8.003 -7.182 -1.999 1.00 0.00 H new ATOM 3085 N LYS D 31 11.424 -8.094 -4.958 1.00 0.00 N ATOM 3086 CA LYS D 31 12.543 -8.141 -5.888 1.00 0.00 C ATOM 3087 C LYS D 31 12.622 -9.507 -6.563 1.00 0.00 C ATOM 3088 O LYS D 31 12.788 -9.604 -7.777 1.00 0.00 O ATOM 3089 CB LYS D 31 13.852 -7.844 -5.156 1.00 0.00 C ATOM 3090 CG LYS D 31 14.979 -7.403 -6.075 1.00 0.00 C ATOM 3091 CD LYS D 31 16.207 -6.983 -5.283 1.00 0.00 C ATOM 3092 CE LYS D 31 17.468 -7.062 -6.128 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.692 -6.782 -5.327 1.00 0.00 N ATOM 0 H LYS D 31 11.688 -7.978 -3.980 1.00 0.00 H new ATOM 0 HA LYS D 31 12.385 -7.382 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.675 -7.066 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS D 31 14.165 -8.736 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS D 31 15.240 -8.218 -6.750 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.642 -6.572 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.075 -5.964 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.313 -7.624 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS D 31 17.545 -8.054 -6.574 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.400 -6.348 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.530 -6.846 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 18.631 -5.826 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 18.771 -7.479 -4.559 1.00 0.00 H new ATOM 3107 N GLN D 32 12.492 -10.560 -5.765 1.00 0.00 N ATOM 3108 CA GLN D 32 12.543 -11.920 -6.283 1.00 0.00 C ATOM 3109 C GLN D 32 11.381 -12.191 -7.235 1.00 0.00 C ATOM 3110 O GLN D 32 11.568 -12.769 -8.305 1.00 0.00 O ATOM 3111 CB GLN D 32 12.528 -12.931 -5.134 1.00 0.00 C ATOM 3112 CG GLN D 32 12.941 -14.332 -5.557 1.00 0.00 C ATOM 3113 CD GLN D 32 14.447 -14.507 -5.601 1.00 0.00 C ATOM 3114 OE1 GLN D 32 15.094 -14.171 -6.593 1.00 0.00 O ATOM 3115 NE2 GLN D 32 15.013 -15.036 -4.522 1.00 0.00 N ATOM 0 H GLN D 32 12.351 -10.497 -4.757 1.00 0.00 H new ATOM 0 HA GLN D 32 13.473 -12.031 -6.840 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.198 -12.585 -4.347 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.526 -12.969 -4.706 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.515 -15.057 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN D 32 12.525 -14.548 -6.541 1.00 0.00 H new ATOM 0 HE21 GLN D 32 14.438 -15.300 -3.722 1.00 0.00 H new ATOM 0 HE22 GLN D 32 16.023 -15.178 -4.493 1.00 0.00 H new ATOM 3124 N PHE D 33 10.181 -11.761 -6.845 1.00 0.00 N ATOM 3125 CA PHE D 33 8.988 -11.942 -7.663 1.00 0.00 C ATOM 3126 C PHE D 33 9.029 -11.118 -8.949 1.00 0.00 C ATOM 3127 O PHE D 33 8.730 -11.629 -10.029 1.00 0.00 O ATOM 3128 CB PHE D 33 7.748 -11.623 -6.812 1.00 0.00 C ATOM 3129 CG PHE D 33 6.514 -11.229 -7.580 1.00 0.00 C ATOM 3130 CD1 PHE D 33 5.947 -12.066 -8.530 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.909 -10.012 -7.317 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.799 -11.684 -9.208 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.766 -9.626 -7.989 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.211 -10.459 -8.936 1.00 0.00 C ATOM 0 H PHE D 33 10.012 -11.282 -5.961 1.00 0.00 H new ATOM 0 HA PHE D 33 8.942 -12.981 -7.989 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.512 -12.497 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE D 33 7.999 -10.815 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.403 -13.022 -8.743 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.337 -9.354 -6.575 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.364 -12.340 -9.947 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.308 -8.672 -7.773 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.319 -10.158 -9.465 1.00 0.00 H new ATOM 3144 N PHE D 34 9.382 -9.845 -8.833 1.00 0.00 N ATOM 3145 CA PHE D 34 9.437 -8.962 -9.995 1.00 0.00 C ATOM 3146 C PHE D 34 10.685 -9.175 -10.859 1.00 0.00 C ATOM 3147 O PHE D 34 10.626 -9.014 -12.078 1.00 0.00 O ATOM 3148 CB PHE D 34 9.280 -7.510 -9.560 1.00 0.00 C ATOM 3149 CG PHE D 34 7.837 -7.169 -9.326 1.00 0.00 C ATOM 3150 CD1 PHE D 34 6.973 -7.022 -10.399 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.333 -7.035 -8.042 1.00 0.00 C ATOM 3152 CE1 PHE D 34 5.636 -6.741 -10.200 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.993 -6.758 -7.835 1.00 0.00 C ATOM 3154 CZ PHE D 34 5.144 -6.610 -8.917 1.00 0.00 C ATOM 0 H PHE D 34 9.634 -9.400 -7.951 1.00 0.00 H new ATOM 0 HA PHE D 34 8.598 -9.223 -10.640 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.850 -7.337 -8.647 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.693 -6.852 -10.324 1.00 0.00 H new ATOM 0 HD1 PHE D 34 7.351 -7.129 -11.405 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.993 -7.148 -7.194 1.00 0.00 H new ATOM 0 HE1 PHE D 34 4.976 -6.624 -11.047 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.611 -6.658 -6.830 1.00 0.00 H new ATOM 0 HZ PHE D 34 4.098 -6.392 -8.758 1.00 0.00 H new ATOM 3164 N ASN D 35 11.806 -9.554 -10.248 1.00 0.00 N ATOM 3165 CA ASN D 35 13.031 -9.798 -11.018 1.00 0.00 C ATOM 3166 C ASN D 35 12.777 -10.799 -12.147 1.00 0.00 C ATOM 3167 O ASN D 35 13.408 -10.735 -13.202 1.00 0.00 O ATOM 3168 CB ASN D 35 14.171 -10.289 -10.113 1.00 0.00 C ATOM 3169 CG ASN D 35 14.908 -9.162 -9.402 1.00 0.00 C ATOM 3170 OD1 ASN D 35 16.088 -9.298 -9.077 1.00 0.00 O ATOM 3171 ND2 ASN D 35 14.232 -8.043 -9.163 1.00 0.00 N ATOM 0 H ASN D 35 11.895 -9.697 -9.242 1.00 0.00 H new ATOM 0 HA ASN D 35 13.335 -8.849 -11.460 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.765 -10.974 -9.369 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.882 -10.856 -10.713 1.00 0.00 H new ATOM 0 HD21 ASN D 35 14.690 -7.260 -8.696 1.00 0.00 H new ATOM 0 HD22 ASN D 35 13.255 -7.967 -9.447 1.00 0.00 H new ATOM 3178 N ASP D 36 11.841 -11.714 -11.916 1.00 0.00 N ATOM 3179 CA ASP D 36 11.481 -12.727 -12.906 1.00 0.00 C ATOM 3180 C ASP D 36 10.923 -12.094 -14.186 1.00 0.00 C ATOM 3181 O ASP D 36 10.875 -12.738 -15.234 1.00 0.00 O ATOM 3182 CB ASP D 36 10.461 -13.706 -12.319 1.00 0.00 C ATOM 3183 CG ASP D 36 11.092 -14.679 -11.341 1.00 0.00 C ATOM 3184 OD1 ASP D 36 11.648 -15.702 -11.795 1.00 0.00 O ATOM 3185 OD2 ASP D 36 11.031 -14.420 -10.121 1.00 0.00 O ATOM 0 H ASP D 36 11.314 -11.776 -11.045 1.00 0.00 H new ATOM 0 HA ASP D 36 12.390 -13.268 -13.168 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.673 -13.147 -11.814 1.00 0.00 H new ATOM 0 HB3 ASP D 36 9.988 -14.263 -13.128 1.00 0.00 H new ATOM 3190 N ASN D 37 10.496 -10.835 -14.091 1.00 0.00 N ATOM 3191 CA ASN D 37 9.935 -10.130 -15.246 1.00 0.00 C ATOM 3192 C ASN D 37 10.945 -9.170 -15.869 1.00 0.00 C ATOM 3193 O ASN D 37 10.804 -8.784 -17.029 1.00 0.00 O ATOM 3194 CB ASN D 37 8.677 -9.350 -14.857 1.00 0.00 C ATOM 3195 CG ASN D 37 7.800 -10.093 -13.869 1.00 0.00 C ATOM 3196 OD1 ASN D 37 7.285 -11.171 -14.164 1.00 0.00 O ATOM 3197 ND2 ASN D 37 7.622 -9.510 -12.690 1.00 0.00 N ATOM 0 H ASN D 37 10.527 -10.284 -13.233 1.00 0.00 H new ATOM 0 HA ASN D 37 9.677 -10.892 -15.981 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.969 -8.392 -14.426 1.00 0.00 H new ATOM 0 HB3 ASN D 37 8.099 -9.133 -15.755 1.00 0.00 H new ATOM 0 HD21 ASN D 37 7.038 -9.957 -11.983 1.00 0.00 H new ATOM 0 HD22 ASN D 37 8.070 -8.615 -12.491 1.00 0.00 H new ATOM 3204 N GLY D 38 11.963 -8.785 -15.105 1.00 0.00 N ATOM 3205 CA GLY D 38 12.968 -7.874 -15.627 1.00 0.00 C ATOM 3206 C GLY D 38 13.149 -6.628 -14.777 1.00 0.00 C ATOM 3207 O GLY D 38 13.726 -5.641 -15.234 1.00 0.00 O ATOM 0 H GLY D 38 12.110 -9.084 -14.141 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.921 -8.398 -15.699 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.690 -7.578 -16.639 1.00 0.00 H new ATOM 3211 N VAL D 39 12.665 -6.668 -13.538 1.00 0.00 N ATOM 3212 CA VAL D 39 12.793 -5.528 -12.633 1.00 0.00 C ATOM 3213 C VAL D 39 14.104 -5.604 -11.860 1.00 0.00 C ATOM 3214 O VAL D 39 14.550 -6.691 -11.492 1.00 0.00 O ATOM 3215 CB VAL D 39 11.620 -5.460 -11.635 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.695 -4.188 -10.802 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.292 -5.548 -12.368 1.00 0.00 C ATOM 0 H VAL D 39 12.183 -7.473 -13.139 1.00 0.00 H new ATOM 0 HA VAL D 39 12.779 -4.627 -13.247 1.00 0.00 H new ATOM 0 HB VAL D 39 11.694 -6.312 -10.959 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.858 -4.160 -10.104 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.632 -4.172 -10.245 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.649 -3.320 -11.459 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.475 -5.498 -11.648 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.208 -4.718 -13.070 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.239 -6.491 -12.913 1.00 0.00 H new ATOM 3227 N ASP D 40 14.726 -4.454 -11.618 1.00 0.00 N ATOM 3228 CA ASP D 40 15.990 -4.417 -10.892 1.00 0.00 C ATOM 3229 C ASP D 40 16.210 -3.060 -10.229 1.00 0.00 C ATOM 3230 O ASP D 40 15.370 -2.165 -10.322 1.00 0.00 O ATOM 3231 CB ASP D 40 17.152 -4.727 -11.840 1.00 0.00 C ATOM 3232 CG ASP D 40 17.222 -6.196 -12.208 1.00 0.00 C ATOM 3233 OD1 ASP D 40 17.753 -6.986 -11.400 1.00 0.00 O ATOM 3234 OD2 ASP D 40 16.747 -6.556 -13.305 1.00 0.00 O ATOM 0 H ASP D 40 14.378 -3.541 -11.912 1.00 0.00 H new ATOM 0 HA ASP D 40 15.949 -5.175 -10.110 1.00 0.00 H new ATOM 0 HB2 ASP D 40 17.045 -4.133 -12.747 1.00 0.00 H new ATOM 0 HB3 ASP D 40 18.089 -4.428 -11.371 1.00 0.00 H new ATOM 3239 N GLY D 41 17.350 -2.920 -9.561 1.00 0.00 N ATOM 3240 CA GLY D 41 17.672 -1.675 -8.885 1.00 0.00 C ATOM 3241 C GLY D 41 17.822 -1.853 -7.387 1.00 0.00 C ATOM 3242 O GLY D 41 18.305 -2.887 -6.925 1.00 0.00 O ATOM 0 H GLY D 41 18.059 -3.648 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.598 -1.271 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.889 -0.943 -9.085 1.00 0.00 H new ATOM 3246 N GLU D 42 17.408 -0.846 -6.624 1.00 0.00 N ATOM 3247 CA GLU D 42 17.503 -0.905 -5.169 1.00 0.00 C ATOM 3248 C GLU D 42 16.374 -0.116 -4.514 1.00 0.00 C ATOM 3249 O GLU D 42 15.805 0.793 -5.119 1.00 0.00 O ATOM 3250 CB GLU D 42 18.855 -0.362 -4.704 1.00 0.00 C ATOM 3251 CG GLU D 42 20.012 -1.315 -4.955 1.00 0.00 C ATOM 3252 CD GLU D 42 21.265 -0.924 -4.196 1.00 0.00 C ATOM 3253 OE1 GLU D 42 21.196 -0.810 -2.955 1.00 0.00 O ATOM 3254 OE2 GLU D 42 22.316 -0.732 -4.843 1.00 0.00 O ATOM 0 H GLU D 42 17.005 0.018 -6.987 1.00 0.00 H new ATOM 0 HA GLU D 42 17.413 -1.949 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU D 42 19.054 0.580 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.801 -0.142 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.716 -2.324 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.231 -1.341 -6.022 1.00 0.00 H new ATOM 3261 N TRP D 43 16.053 -0.473 -3.274 1.00 0.00 N ATOM 3262 CA TRP D 43 14.991 0.198 -2.534 1.00 0.00 C ATOM 3263 C TRP D 43 15.417 1.593 -2.106 1.00 0.00 C ATOM 3264 O TRP D 43 16.417 1.767 -1.410 1.00 0.00 O ATOM 3265 CB TRP D 43 14.592 -0.627 -1.308 1.00 0.00 C ATOM 3266 CG TRP D 43 13.736 -1.809 -1.643 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.143 -3.106 -1.763 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.327 -1.803 -1.905 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.073 -3.908 -2.082 1.00 0.00 N ATOM 3270 CE2 TRP D 43 11.948 -3.131 -2.175 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.350 -0.803 -1.937 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.634 -3.484 -2.473 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 10.047 -1.155 -2.232 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.699 -2.485 -2.496 1.00 0.00 C ATOM 0 H TRP D 43 16.514 -1.224 -2.761 1.00 0.00 H new ATOM 0 HA TRP D 43 14.130 0.292 -3.196 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.494 -0.972 -0.802 1.00 0.00 H new ATOM 0 HB3 TRP D 43 14.057 0.013 -0.606 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.157 -3.452 -1.627 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.110 -4.917 -2.226 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.609 0.226 -1.735 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.363 -4.509 -2.678 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.284 -0.391 -2.259 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.671 -2.728 -2.723 1.00 0.00 H new ATOM 3285 N THR D 44 14.643 2.585 -2.526 1.00 0.00 N ATOM 3286 CA THR D 44 14.927 3.970 -2.189 1.00 0.00 C ATOM 3287 C THR D 44 13.827 4.541 -1.305 1.00 0.00 C ATOM 3288 O THR D 44 12.641 4.308 -1.535 1.00 0.00 O ATOM 3289 CB THR D 44 15.069 4.810 -3.458 1.00 0.00 C ATOM 3290 OG1 THR D 44 13.880 4.764 -4.226 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.208 4.362 -4.348 1.00 0.00 C ATOM 0 H THR D 44 13.812 2.454 -3.102 1.00 0.00 H new ATOM 0 HA THR D 44 15.868 4.002 -1.640 1.00 0.00 H new ATOM 0 HB THR D 44 15.276 5.823 -3.112 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.158 4.377 -3.688 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.253 5.000 -5.231 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.148 4.434 -3.800 1.00 0.00 H new ATOM 0 HG23 THR D 44 16.045 3.329 -4.655 1.00 0.00 H new ATOM 3299 N TYR D 45 14.235 5.304 -0.304 1.00 0.00 N ATOM 3300 CA TYR D 45 13.293 5.933 0.614 1.00 0.00 C ATOM 3301 C TYR D 45 12.541 7.064 -0.079 1.00 0.00 C ATOM 3302 O TYR D 45 13.113 7.797 -0.886 1.00 0.00 O ATOM 3303 CB TYR D 45 14.021 6.464 1.850 1.00 0.00 C ATOM 3304 CG TYR D 45 14.319 5.401 2.882 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.351 5.010 3.800 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.565 4.788 2.942 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.617 4.039 4.747 1.00 0.00 C ATOM 3308 CE2 TYR D 45 15.838 3.817 3.885 1.00 0.00 C ATOM 3309 CZ TYR D 45 14.860 3.445 4.785 1.00 0.00 C ATOM 3310 OH TYR D 45 15.128 2.478 5.727 1.00 0.00 O ATOM 0 H TYR D 45 15.215 5.505 -0.104 1.00 0.00 H new ATOM 0 HA TYR D 45 12.572 5.179 0.930 1.00 0.00 H new ATOM 0 HB2 TYR D 45 14.957 6.928 1.538 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.416 7.245 2.310 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.375 5.472 3.773 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.333 5.076 2.239 1.00 0.00 H new ATOM 0 HE1 TYR D 45 12.854 3.747 5.454 1.00 0.00 H new ATOM 0 HE2 TYR D 45 16.812 3.351 3.918 1.00 0.00 H new ATOM 0 HH TYR D 45 16.049 2.161 5.617 1.00 0.00 H new ATOM 3320 N ASP D 46 11.257 7.203 0.238 1.00 0.00 N ATOM 3321 CA ASP D 46 10.436 8.250 -0.361 1.00 0.00 C ATOM 3322 C ASP D 46 10.830 9.622 0.176 1.00 0.00 C ATOM 3323 O ASP D 46 11.437 9.731 1.243 1.00 0.00 O ATOM 3324 CB ASP D 46 8.953 8.000 -0.076 1.00 0.00 C ATOM 3325 CG ASP D 46 8.342 6.976 -1.011 1.00 0.00 C ATOM 3326 OD1 ASP D 46 8.406 5.770 -0.694 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.794 7.381 -2.058 1.00 0.00 O ATOM 0 H ASP D 46 10.764 6.607 0.903 1.00 0.00 H new ATOM 0 HA ASP D 46 10.604 8.229 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP D 46 8.837 7.661 0.953 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.407 8.939 -0.165 1.00 0.00 H new ATOM 3332 N ASP D 47 10.483 10.667 -0.568 1.00 0.00 N ATOM 3333 CA ASP D 47 10.802 12.031 -0.164 1.00 0.00 C ATOM 3334 C ASP D 47 10.024 12.419 1.091 1.00 0.00 C ATOM 3335 O ASP D 47 8.829 12.148 1.201 1.00 0.00 O ATOM 3336 CB ASP D 47 10.488 13.008 -1.298 1.00 0.00 C ATOM 3337 CG ASP D 47 11.588 13.059 -2.341 1.00 0.00 C ATOM 3338 OD1 ASP D 47 11.631 12.155 -3.202 1.00 0.00 O ATOM 3339 OD2 ASP D 47 12.405 14.002 -2.297 1.00 0.00 O ATOM 0 H ASP D 47 9.981 10.595 -1.453 1.00 0.00 H new ATOM 0 HA ASP D 47 11.868 12.080 0.060 1.00 0.00 H new ATOM 0 HB2 ASP D 47 9.552 12.717 -1.775 1.00 0.00 H new ATOM 0 HB3 ASP D 47 10.338 14.005 -0.883 1.00 0.00 H new ATOM 3344 N ALA D 48 10.715 13.047 2.038 1.00 0.00 N ATOM 3345 CA ALA D 48 10.097 13.464 3.292 1.00 0.00 C ATOM 3346 C ALA D 48 8.885 14.359 3.055 1.00 0.00 C ATOM 3347 O ALA D 48 8.890 15.210 2.165 1.00 0.00 O ATOM 3348 CB ALA D 48 11.117 14.179 4.166 1.00 0.00 C ATOM 0 H ALA D 48 11.705 13.279 1.960 1.00 0.00 H new ATOM 0 HA ALA D 48 9.749 12.567 3.805 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.645 14.486 5.099 1.00 0.00 H new ATOM 0 HB2 ALA D 48 11.946 13.505 4.383 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.492 15.059 3.643 1.00 0.00 H new ATOM 3354 N THR D 49 7.848 14.157 3.862 1.00 0.00 N ATOM 3355 CA THR D 49 6.621 14.939 3.755 1.00 0.00 C ATOM 3356 C THR D 49 6.158 15.409 5.130 1.00 0.00 C ATOM 3357 O THR D 49 6.500 14.808 6.148 1.00 0.00 O ATOM 3358 CB THR D 49 5.519 14.113 3.088 1.00 0.00 C ATOM 3359 OG1 THR D 49 6.014 13.455 1.935 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.323 14.940 2.667 1.00 0.00 C ATOM 0 H THR D 49 7.833 13.454 4.601 1.00 0.00 H new ATOM 0 HA THR D 49 6.829 15.815 3.140 1.00 0.00 H new ATOM 0 HB THR D 49 5.197 13.397 3.844 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.295 12.931 1.524 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.579 14.293 2.201 1.00 0.00 H new ATOM 0 HG22 THR D 49 3.888 15.422 3.542 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.640 15.701 1.954 1.00 0.00 H new ATOM 3368 N LYS D 50 5.382 16.488 5.156 1.00 0.00 N ATOM 3369 CA LYS D 50 4.878 17.034 6.411 1.00 0.00 C ATOM 3370 C LYS D 50 3.352 17.040 6.435 1.00 0.00 C ATOM 3371 O LYS D 50 2.705 17.222 5.405 1.00 0.00 O ATOM 3372 CB LYS D 50 5.411 18.453 6.625 1.00 0.00 C ATOM 3373 CG LYS D 50 6.744 18.497 7.355 1.00 0.00 C ATOM 3374 CD LYS D 50 7.401 19.862 7.236 1.00 0.00 C ATOM 3375 CE LYS D 50 8.915 19.748 7.188 1.00 0.00 C ATOM 3376 NZ LYS D 50 9.568 21.076 7.018 1.00 0.00 N ATOM 0 H LYS D 50 5.089 17.001 4.324 1.00 0.00 H new ATOM 0 HA LYS D 50 5.230 16.395 7.221 1.00 0.00 H new ATOM 0 HB2 LYS D 50 5.520 18.941 5.657 1.00 0.00 H new ATOM 0 HB3 LYS D 50 4.677 19.027 7.191 1.00 0.00 H new ATOM 0 HG2 LYS D 50 6.592 18.256 8.407 1.00 0.00 H new ATOM 0 HG3 LYS D 50 7.409 17.736 6.947 1.00 0.00 H new ATOM 0 HD2 LYS D 50 7.044 20.362 6.336 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.108 20.483 8.083 1.00 0.00 H new ATOM 0 HE2 LYS D 50 9.273 19.283 8.106 1.00 0.00 H new ATOM 0 HE3 LYS D 50 9.204 19.094 6.365 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 10.455 20.961 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 8.931 21.712 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 9.774 21.483 7.952 1.00 0.00 H new ATOM 3390 N THR D 51 2.788 16.834 7.621 1.00 0.00 N ATOM 3391 CA THR D 51 1.339 16.808 7.792 1.00 0.00 C ATOM 3392 C THR D 51 0.943 17.549 9.068 1.00 0.00 C ATOM 3393 O THR D 51 1.493 17.294 10.141 1.00 0.00 O ATOM 3394 CB THR D 51 0.847 15.355 7.819 1.00 0.00 C ATOM 3395 OG1 THR D 51 0.931 14.783 6.525 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.585 15.197 8.290 1.00 0.00 C ATOM 0 H THR D 51 3.315 16.682 8.481 1.00 0.00 H new ATOM 0 HA THR D 51 0.867 17.316 6.951 1.00 0.00 H new ATOM 0 HB THR D 51 1.497 14.849 8.533 1.00 0.00 H new ATOM 0 HG1 THR D 51 0.955 13.806 6.600 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.857 14.141 8.281 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.680 15.587 9.303 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.250 15.749 7.625 1.00 0.00 H new ATOM 3404 N PHE D 52 -0.010 18.471 8.944 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.479 19.254 10.084 1.00 0.00 C ATOM 3406 C PHE D 52 -1.496 18.478 10.915 1.00 0.00 C ATOM 3407 O PHE D 52 -2.546 18.082 10.411 1.00 0.00 O ATOM 3408 CB PHE D 52 -1.097 20.571 9.608 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.370 21.543 10.722 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.355 22.332 11.236 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.644 21.666 11.254 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.604 23.226 12.261 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -2.900 22.558 12.277 1.00 0.00 C ATOM 3414 CZ PHE D 52 -1.878 23.338 12.782 1.00 0.00 C ATOM 0 H PHE D 52 -0.473 18.694 8.063 1.00 0.00 H new ATOM 0 HA PHE D 52 0.385 19.467 10.714 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.427 21.037 8.886 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -2.030 20.358 9.086 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.643 22.248 10.832 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.446 21.057 10.864 1.00 0.00 H new ATOM 0 HE1 PHE D 52 0.196 23.836 12.653 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -3.898 22.645 12.681 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.075 24.035 13.583 1.00 0.00 H new ATOM 3424 N THR D 53 -1.187 18.279 12.191 1.00 0.00 N ATOM 3425 CA THR D 53 -2.089 17.567 13.089 1.00 0.00 C ATOM 3426 C THR D 53 -2.970 18.554 13.847 1.00 0.00 C ATOM 3427 O THR D 53 -2.468 19.464 14.509 1.00 0.00 O ATOM 3428 CB THR D 53 -1.293 16.705 14.071 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.499 15.758 13.379 1.00 0.00 O ATOM 3430 CG2 THR D 53 -2.167 15.943 15.046 1.00 0.00 C ATOM 0 H THR D 53 -0.322 18.599 12.626 1.00 0.00 H new ATOM 0 HA THR D 53 -2.728 16.915 12.493 1.00 0.00 H new ATOM 0 HB THR D 53 -0.675 17.406 14.632 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.034 16.215 12.695 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.539 15.353 15.713 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.757 16.647 15.632 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.834 15.280 14.495 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.283 18.378 13.746 1.00 0.00 N ATOM 3439 CA VAL D 54 -5.222 19.266 14.423 1.00 0.00 C ATOM 3440 C VAL D 54 -5.193 19.045 15.929 1.00 0.00 C ATOM 3441 O VAL D 54 -4.810 17.976 16.404 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.665 19.069 13.921 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.551 20.213 14.388 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.700 18.946 12.404 1.00 0.00 C ATOM 0 H VAL D 54 -4.720 17.632 13.205 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.906 20.283 14.193 1.00 0.00 H new ATOM 0 HB VAL D 54 -7.049 18.140 14.343 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.567 20.058 14.025 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.557 20.248 15.477 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -7.166 21.155 13.997 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.730 18.808 12.074 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.294 19.853 11.956 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -6.101 18.089 12.095 1.00 0.00 H new ATOM 3454 N THR D 55 -5.603 20.063 16.675 1.00 0.00 N ATOM 3455 CA THR D 55 -5.626 19.985 18.130 1.00 0.00 C ATOM 3456 C THR D 55 -6.747 20.845 18.701 1.00 0.00 C ATOM 3457 O THR D 55 -7.734 20.332 19.229 1.00 0.00 O ATOM 3458 CB THR D 55 -4.280 20.427 18.706 1.00 0.00 C ATOM 3459 OG1 THR D 55 -3.225 19.652 18.164 1.00 0.00 O ATOM 3460 CG2 THR D 55 -4.206 20.312 20.213 1.00 0.00 C ATOM 0 H THR D 55 -5.925 20.954 16.296 1.00 0.00 H new ATOM 0 HA THR D 55 -5.809 18.948 18.412 1.00 0.00 H new ATOM 0 HB THR D 55 -4.180 21.478 18.433 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.401 19.825 18.665 1.00 0.00 H new ATOM 0 HG21 THR D 55 -3.225 20.641 20.555 1.00 0.00 H new ATOM 0 HG22 THR D 55 -4.977 20.937 20.664 1.00 0.00 H new ATOM 0 HG23 THR D 55 -4.363 19.274 20.507 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.587 22.157 18.587 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.583 23.099 19.086 1.00 0.00 C ATOM 3470 C GLU D 56 -7.801 22.920 20.585 1.00 0.00 C ATOM 3471 O GLU D 56 -7.135 22.046 21.179 1.00 0.00 O ATOM 3472 CB GLU D 56 -8.906 22.916 18.340 1.00 0.00 C ATOM 3473 CG GLU D 56 -8.763 22.962 16.828 1.00 0.00 C ATOM 3474 CD GLU D 56 -10.051 22.611 16.109 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -11.080 23.266 16.382 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -10.032 21.683 15.274 1.00 0.00 O ATOM 3477 OXT GLU D 56 -8.635 23.656 21.152 1.00 0.00 O ATOM 0 H GLU D 56 -5.775 22.595 18.152 1.00 0.00 H new ATOM 0 HA GLU D 56 -7.211 24.109 18.911 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -9.346 21.961 18.626 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -9.602 23.694 18.655 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -8.444 23.960 16.527 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -7.979 22.270 16.520 1.00 0.00 H new