USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=44 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 -21:sc= 1.6 USER MOD Set 1.2: D 53 THR OG1 : rot 59:sc= -1.46 USER MOD Set 2.1: B 45 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: B 49 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: C 2 GLN : amide:sc= -0.899 K(o=-1.8,f=-2.4) USER MOD Set 3.4: C 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.5: D 2 GLN : amide:sc= -0.905 X(o=-1.8,f=-2.2) USER MOD Set 3.6: D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 2 GLN : amide:sc= -0.893 X(o=-1.8,f=-2.1) USER MOD Set 4.2: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.3: B 2 GLN : amide:sc= -0.86 X(o=-1.8,f=-2.1) USER MOD Set 4.4: B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.5: C 49 THR OG1 : rot 180:sc= 0 USER MOD Set 4.6: D 49 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: B 53 THR OG1 : rot 59:sc= -1.2 USER MOD Set 5.2: D 44 THR OG1 : rot -14:sc= 1.75 USER MOD Set 6.1: B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: D 45 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 53 THR OG1 : rot 58:sc= -1.36 USER MOD Set 7.2: C 44 THR OG1 : rot -29:sc= 1.58 USER MOD Set 8.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.2: C 45 TYR OH : rot 180:sc= 0 USER MOD Set 9.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 9.2: C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set10.1: A 44 THR OG1 : rot -1:sc= 1.61 USER MOD Set10.2: C 53 THR OG1 : rot 56:sc= -1.2 USER MOD Single : A 1 MET CE :methyl 175:sc= -1.86 (180deg=-2.15) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.15 (180deg=0.949) USER MOD Single : A 3 TYR OH : rot -65:sc= -1.25 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.516 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) USER MOD Single : A 35 ASN :FLIP amide:sc= -2.07 F(o=-3.6,f=-2.1) USER MOD Single : A 37 ASN : amide:sc= -5.85! C(o=-5.9!,f=-11!) USER MOD Single : A 51 THR OG1 : rot 149:sc= -0.605 USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.649 USER MOD Single : B 1 MET CE :methyl 172:sc= -1.87 (180deg=-2.14) USER MOD Single : B 1 MET N :NH3+ -145:sc= 1.16 (180deg=0.97) USER MOD Single : B 3 TYR OH : rot -66:sc= -1.12 USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.553 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) USER MOD Single : B 35 ASN :FLIP amide:sc= -1.98 F(o=-3.4,f=-2) USER MOD Single : B 37 ASN : amide:sc= -5.77! C(o=-5.8!,f=-11!) USER MOD Single : B 51 THR OG1 : rot 54:sc= -0.903! USER MOD Single : B 55 THR OG1 : rot -160:sc= -0.788 USER MOD Single : C 1 MET CE :methyl 172:sc= -1.88 (180deg=-2.05) USER MOD Single : C 1 MET N :NH3+ -144:sc= 1.13 (180deg=1.03) USER MOD Single : C 3 TYR OH : rot -68:sc= -1.11 USER MOD Single : C 25 THR OG1 : rot 160:sc= -0.508 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) USER MOD Single : C 35 ASN :FLIP amide:sc= -2.02 F(o=-3.6,f=-2) USER MOD Single : C 37 ASN : amide:sc= -5.65! C(o=-5.7!,f=-11!) USER MOD Single : C 51 THR OG1 : rot 149:sc= -0.706 USER MOD Single : C 55 THR OG1 : rot -160:sc= -0.643 USER MOD Single : D 1 MET CE :methyl 173:sc= -1.85 (180deg=-2.16) USER MOD Single : D 1 MET N :NH3+ -149:sc= 1.18 (180deg=0.948) USER MOD Single : D 3 TYR OH : rot -64:sc= -1.16 USER MOD Single : D 25 THR OG1 : rot 180:sc= -0.544 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) USER MOD Single : D 35 ASN :FLIP amide:sc= -2.01 F(o=-3.4,f=-2) USER MOD Single : D 37 ASN : amide:sc= -5.69! C(o=-5.7!,f=-11!) USER MOD Single : D 51 THR OG1 : rot 151:sc= -0.627 USER MOD Single : D 55 THR OG1 : rot -168:sc= -0.759 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.290 21.015 -0.491 1.00 0.00 N ATOM 2 CA MET A 1 9.592 20.229 0.560 1.00 0.00 C ATOM 3 C MET A 1 8.112 20.063 0.234 1.00 0.00 C ATOM 4 O MET A 1 7.444 21.016 -0.163 1.00 0.00 O ATOM 5 CB MET A 1 9.763 20.947 1.900 1.00 0.00 C ATOM 6 CG MET A 1 11.080 20.637 2.593 1.00 0.00 C ATOM 7 SD MET A 1 10.930 19.319 3.816 1.00 0.00 S ATOM 8 CE MET A 1 10.018 18.094 2.880 1.00 0.00 C ATOM 0 H1 MET A 1 11.313 21.011 -0.305 1.00 0.00 H new ATOM 0 H2 MET A 1 10.106 20.590 -1.422 1.00 0.00 H new ATOM 0 H3 MET A 1 9.940 21.994 -0.482 1.00 0.00 H new ATOM 0 HA MET A 1 10.029 19.232 0.610 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.692 22.023 1.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.941 20.669 2.559 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.820 20.351 1.846 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.450 21.539 3.080 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.923 17.182 3.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.026 18.480 2.645 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.550 17.873 1.954 1.00 0.00 H new ATOM 20 N GLN A 2 7.608 18.845 0.410 1.00 0.00 N ATOM 21 CA GLN A 2 6.206 18.551 0.137 1.00 0.00 C ATOM 22 C GLN A 2 5.355 18.777 1.381 1.00 0.00 C ATOM 23 O GLN A 2 5.604 18.185 2.432 1.00 0.00 O ATOM 24 CB GLN A 2 6.051 17.107 -0.347 1.00 0.00 C ATOM 25 CG GLN A 2 4.701 16.822 -0.985 1.00 0.00 C ATOM 26 CD GLN A 2 4.763 15.695 -1.999 1.00 0.00 C ATOM 27 OE1 GLN A 2 4.497 15.896 -3.184 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.116 14.501 -1.536 1.00 0.00 N ATOM 0 H GLN A 2 8.150 18.046 0.740 1.00 0.00 H new ATOM 0 HA GLN A 2 5.862 19.227 -0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.838 16.888 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.195 16.432 0.497 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.982 16.567 -0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.336 17.726 -1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.328 14.380 -0.546 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.175 13.705 -2.171 1.00 0.00 H new ATOM 37 N TYR A 3 4.355 19.645 1.260 1.00 0.00 N ATOM 38 CA TYR A 3 3.475 19.959 2.381 1.00 0.00 C ATOM 39 C TYR A 3 2.081 19.367 2.202 1.00 0.00 C ATOM 40 O TYR A 3 1.469 19.480 1.138 1.00 0.00 O ATOM 41 CB TYR A 3 3.375 21.471 2.572 1.00 0.00 C ATOM 42 CG TYR A 3 4.543 22.064 3.327 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.570 22.045 4.715 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.615 22.637 2.657 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.633 22.582 5.415 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.682 23.177 3.349 1.00 0.00 C ATOM 47 CZ TYR A 3 6.686 23.146 4.729 1.00 0.00 C ATOM 48 OH TYR A 3 7.746 23.682 5.423 1.00 0.00 O ATOM 0 H TYR A 3 4.134 20.143 0.398 1.00 0.00 H new ATOM 0 HA TYR A 3 3.915 19.507 3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.305 21.948 1.595 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.453 21.701 3.106 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.746 21.603 5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.615 22.661 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.638 22.560 6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.508 23.621 2.813 1.00 0.00 H new ATOM 0 HH TYR A 3 7.440 24.454 5.943 1.00 0.00 H new ATOM 58 N LYS A 4 1.589 18.741 3.267 1.00 0.00 N ATOM 59 CA LYS A 4 0.266 18.126 3.261 1.00 0.00 C ATOM 60 C LYS A 4 -0.721 18.954 4.082 1.00 0.00 C ATOM 61 O LYS A 4 -0.431 19.341 5.214 1.00 0.00 O ATOM 62 CB LYS A 4 0.339 16.702 3.817 1.00 0.00 C ATOM 63 CG LYS A 4 1.321 15.810 3.076 1.00 0.00 C ATOM 64 CD LYS A 4 0.633 15.016 1.977 1.00 0.00 C ATOM 65 CE LYS A 4 0.045 13.720 2.511 1.00 0.00 C ATOM 66 NZ LYS A 4 -0.239 12.747 1.420 1.00 0.00 N ATOM 0 H LYS A 4 2.090 18.646 4.150 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.085 18.088 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.622 16.745 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.653 16.252 3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.114 16.420 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.794 15.125 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.158 15.619 1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.348 14.793 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.738 13.274 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.875 13.936 3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.639 11.877 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.920 13.162 0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.643 12.521 0.918 1.00 0.00 H new ATOM 80 N VAL A 5 -1.888 19.222 3.502 1.00 0.00 N ATOM 81 CA VAL A 5 -2.919 20.003 4.179 1.00 0.00 C ATOM 82 C VAL A 5 -4.310 19.463 3.863 1.00 0.00 C ATOM 83 O VAL A 5 -4.672 19.300 2.698 1.00 0.00 O ATOM 84 CB VAL A 5 -2.853 21.490 3.780 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.789 22.319 4.646 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.425 22.008 3.881 1.00 0.00 C ATOM 0 H VAL A 5 -2.143 18.910 2.565 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.731 19.916 5.249 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.177 21.582 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.728 23.366 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.812 21.965 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.499 22.221 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.398 23.060 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.071 21.901 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.782 21.434 3.214 1.00 0.00 H new ATOM 96 N ILE A 6 -5.091 19.189 4.906 1.00 0.00 N ATOM 97 CA ILE A 6 -6.444 18.671 4.732 1.00 0.00 C ATOM 98 C ILE A 6 -7.490 19.775 4.880 1.00 0.00 C ATOM 99 O ILE A 6 -7.622 20.379 5.944 1.00 0.00 O ATOM 100 CB ILE A 6 -6.752 17.553 5.751 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.614 16.531 5.784 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.070 16.873 5.408 1.00 0.00 C ATOM 103 CD1 ILE A 6 -5.754 15.508 6.891 1.00 0.00 C ATOM 0 H ILE A 6 -4.810 19.317 5.878 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.494 18.264 3.722 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.841 18.001 6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.572 16.014 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.667 17.057 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.274 16.087 6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.875 17.607 5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.006 16.437 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.913 14.815 6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.765 16.015 7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.685 14.956 6.761 1.00 0.00 H new ATOM 115 N LEU A 7 -8.245 20.023 3.813 1.00 0.00 N ATOM 116 CA LEU A 7 -9.294 21.041 3.831 1.00 0.00 C ATOM 117 C LEU A 7 -10.648 20.401 3.528 1.00 0.00 C ATOM 118 O LEU A 7 -10.832 19.794 2.473 1.00 0.00 O ATOM 119 CB LEU A 7 -8.990 22.148 2.811 1.00 0.00 C ATOM 120 CG LEU A 7 -8.223 23.354 3.370 1.00 0.00 C ATOM 121 CD1 LEU A 7 -6.729 23.184 3.146 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.715 24.649 2.733 1.00 0.00 C ATOM 0 H LEU A 7 -8.150 19.533 2.924 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.327 21.489 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.413 21.718 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.931 22.500 2.388 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.408 23.410 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.200 24.048 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.386 22.281 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.528 23.101 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.158 25.491 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.563 24.605 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.776 24.778 2.945 1.00 0.00 H new ATOM 337 N ASP A 22 -12.325 25.268 2.817 1.00 0.00 N ATOM 338 CA ASP A 22 -12.936 24.812 1.571 1.00 0.00 C ATOM 339 C ASP A 22 -11.899 24.592 0.481 1.00 0.00 C ATOM 340 O ASP A 22 -10.880 25.280 0.417 1.00 0.00 O ATOM 341 CB ASP A 22 -13.975 25.827 1.095 1.00 0.00 C ATOM 342 CG ASP A 22 -14.757 25.336 -0.108 1.00 0.00 C ATOM 343 OD1 ASP A 22 -15.706 24.548 0.082 1.00 0.00 O ATOM 344 OD2 ASP A 22 -14.418 25.740 -1.241 1.00 0.00 O ATOM 0 HA ASP A 22 -13.419 23.856 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.666 26.044 1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.476 26.762 0.843 1.00 0.00 H new ATOM 349 N ALA A 23 -12.177 23.620 -0.371 1.00 0.00 N ATOM 350 CA ALA A 23 -11.295 23.277 -1.473 1.00 0.00 C ATOM 351 C ALA A 23 -10.958 24.507 -2.316 1.00 0.00 C ATOM 352 O ALA A 23 -9.805 24.717 -2.697 1.00 0.00 O ATOM 353 CB ALA A 23 -11.956 22.200 -2.313 1.00 0.00 C ATOM 0 H ALA A 23 -13.019 23.047 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.353 22.898 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.302 21.934 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.137 21.319 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.904 22.572 -2.702 1.00 0.00 H new ATOM 359 N ALA A 24 -11.972 25.322 -2.594 1.00 0.00 N ATOM 360 CA ALA A 24 -11.791 26.539 -3.379 1.00 0.00 C ATOM 361 C ALA A 24 -10.952 27.564 -2.618 1.00 0.00 C ATOM 362 O ALA A 24 -10.227 28.356 -3.219 1.00 0.00 O ATOM 363 CB ALA A 24 -13.141 27.132 -3.752 1.00 0.00 C ATOM 0 H ALA A 24 -12.931 25.160 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.257 26.277 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.991 28.039 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.706 26.409 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.696 27.373 -2.845 1.00 0.00 H new ATOM 369 N THR A 25 -11.060 27.542 -1.293 1.00 0.00 N ATOM 370 CA THR A 25 -10.316 28.469 -0.444 1.00 0.00 C ATOM 371 C THR A 25 -8.813 28.248 -0.592 1.00 0.00 C ATOM 372 O THR A 25 -8.034 29.199 -0.626 1.00 0.00 O ATOM 373 CB THR A 25 -10.738 28.291 1.021 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.107 28.613 1.190 1.00 0.00 O ATOM 375 CG2 THR A 25 -9.948 29.137 1.997 1.00 0.00 C ATOM 0 H THR A 25 -11.657 26.891 -0.782 1.00 0.00 H new ATOM 0 HA THR A 25 -10.544 29.488 -0.758 1.00 0.00 H new ATOM 0 HB THR A 25 -10.541 27.242 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.358 28.492 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.306 28.954 3.010 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.892 28.876 1.933 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.076 30.191 1.752 1.00 0.00 H new ATOM 383 N PHE A 26 -8.418 26.986 -0.694 1.00 0.00 N ATOM 384 CA PHE A 26 -7.013 26.638 -0.856 1.00 0.00 C ATOM 385 C PHE A 26 -6.483 27.130 -2.200 1.00 0.00 C ATOM 386 O PHE A 26 -5.399 27.705 -2.283 1.00 0.00 O ATOM 387 CB PHE A 26 -6.816 25.126 -0.740 1.00 0.00 C ATOM 388 CG PHE A 26 -5.403 24.735 -0.417 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.896 24.913 0.860 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.579 24.195 -1.391 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.595 24.559 1.160 1.00 0.00 C ATOM 392 CE2 PHE A 26 -3.276 23.839 -1.096 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.784 24.021 0.180 1.00 0.00 C ATOM 0 H PHE A 26 -9.051 26.186 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.452 27.128 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.479 24.738 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.111 24.655 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.526 25.334 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.959 24.051 -2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.212 24.703 2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.644 23.419 -1.864 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.766 23.743 0.412 1.00 0.00 H new ATOM 403 N GLU A 27 -7.256 26.882 -3.250 1.00 0.00 N ATOM 404 CA GLU A 27 -6.877 27.276 -4.604 1.00 0.00 C ATOM 405 C GLU A 27 -6.591 28.775 -4.709 1.00 0.00 C ATOM 406 O GLU A 27 -5.539 29.180 -5.203 1.00 0.00 O ATOM 407 CB GLU A 27 -7.990 26.891 -5.585 1.00 0.00 C ATOM 408 CG GLU A 27 -7.680 27.237 -7.033 1.00 0.00 C ATOM 409 CD GLU A 27 -8.787 28.038 -7.695 1.00 0.00 C ATOM 410 OE1 GLU A 27 -9.889 27.482 -7.889 1.00 0.00 O ATOM 411 OE2 GLU A 27 -8.551 29.220 -8.022 1.00 0.00 O ATOM 0 H GLU A 27 -8.156 26.406 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.957 26.748 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.174 25.819 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.911 27.394 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.751 27.805 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.517 26.317 -7.595 1.00 0.00 H new ATOM 418 N LYS A 28 -7.546 29.592 -4.280 1.00 0.00 N ATOM 419 CA LYS A 28 -7.414 31.045 -4.366 1.00 0.00 C ATOM 420 C LYS A 28 -6.332 31.606 -3.441 1.00 0.00 C ATOM 421 O LYS A 28 -5.501 32.404 -3.873 1.00 0.00 O ATOM 422 CB LYS A 28 -8.752 31.711 -4.049 1.00 0.00 C ATOM 423 CG LYS A 28 -8.803 33.182 -4.429 1.00 0.00 C ATOM 424 CD LYS A 28 -10.047 33.858 -3.877 1.00 0.00 C ATOM 425 CE LYS A 28 -11.297 33.421 -4.625 1.00 0.00 C ATOM 426 NZ LYS A 28 -12.431 34.360 -4.409 1.00 0.00 N ATOM 0 H LYS A 28 -8.423 29.274 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.110 31.270 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.546 31.181 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.954 31.612 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.915 33.688 -4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.786 33.279 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.153 33.619 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.937 34.940 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.078 33.356 -5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.585 32.422 -4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.263 34.026 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.658 34.403 -3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.166 35.308 -4.745 1.00 0.00 H new ATOM 440 N VAL A 29 -6.346 31.208 -2.172 1.00 0.00 N ATOM 441 CA VAL A 29 -5.363 31.702 -1.208 1.00 0.00 C ATOM 442 C VAL A 29 -3.938 31.281 -1.555 1.00 0.00 C ATOM 443 O VAL A 29 -3.009 32.083 -1.472 1.00 0.00 O ATOM 444 CB VAL A 29 -5.685 31.216 0.223 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.675 31.762 1.230 1.00 0.00 C ATOM 446 CG2 VAL A 29 -7.101 31.610 0.614 1.00 0.00 C ATOM 0 H VAL A 29 -7.022 30.549 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.426 32.789 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.613 30.128 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.926 31.404 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.675 31.421 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.702 32.852 1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.310 31.260 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.200 32.695 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.809 31.158 -0.081 1.00 0.00 H new ATOM 456 N VAL A 30 -3.767 30.016 -1.916 1.00 0.00 N ATOM 457 CA VAL A 30 -2.447 29.487 -2.237 1.00 0.00 C ATOM 458 C VAL A 30 -1.892 30.060 -3.538 1.00 0.00 C ATOM 459 O VAL A 30 -0.736 30.479 -3.587 1.00 0.00 O ATOM 460 CB VAL A 30 -2.466 27.945 -2.303 1.00 0.00 C ATOM 461 CG1 VAL A 30 -1.079 27.383 -2.592 1.00 0.00 C ATOM 462 CG2 VAL A 30 -3.008 27.371 -1.002 1.00 0.00 C ATOM 0 H VAL A 30 -4.525 29.337 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.784 29.799 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.122 27.652 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.128 26.295 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.724 27.765 -3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.392 27.686 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.017 26.283 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.373 27.685 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.023 27.734 -0.839 1.00 0.00 H new ATOM 472 N LYS A 31 -2.705 30.087 -4.586 1.00 0.00 N ATOM 473 CA LYS A 31 -2.259 30.620 -5.865 1.00 0.00 C ATOM 474 C LYS A 31 -1.924 32.103 -5.746 1.00 0.00 C ATOM 475 O LYS A 31 -0.892 32.559 -6.236 1.00 0.00 O ATOM 476 CB LYS A 31 -3.341 30.411 -6.926 1.00 0.00 C ATOM 477 CG LYS A 31 -2.946 30.903 -8.309 1.00 0.00 C ATOM 478 CD LYS A 31 -4.168 31.161 -9.174 1.00 0.00 C ATOM 479 CE LYS A 31 -3.776 31.618 -10.570 1.00 0.00 C ATOM 480 NZ LYS A 31 -4.965 31.958 -11.398 1.00 0.00 N ATOM 0 H LYS A 31 -3.667 29.749 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.357 30.086 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.581 29.349 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.249 30.927 -6.613 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.362 31.819 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.306 30.164 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.765 30.252 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.794 31.919 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.124 32.488 -10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.204 30.831 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.654 32.265 -12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.575 31.121 -11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.497 32.726 -10.942 1.00 0.00 H new ATOM 494 N GLN A 32 -2.800 32.847 -5.085 1.00 0.00 N ATOM 495 CA GLN A 32 -2.598 34.277 -4.896 1.00 0.00 C ATOM 496 C GLN A 32 -1.370 34.566 -4.034 1.00 0.00 C ATOM 497 O GLN A 32 -0.592 35.469 -4.337 1.00 0.00 O ATOM 498 CB GLN A 32 -3.836 34.911 -4.262 1.00 0.00 C ATOM 499 CG GLN A 32 -3.820 36.430 -4.289 1.00 0.00 C ATOM 500 CD GLN A 32 -5.175 37.033 -3.975 1.00 0.00 C ATOM 501 OE1 GLN A 32 -5.598 37.072 -2.819 1.00 0.00 O ATOM 502 NE2 GLN A 32 -5.865 37.507 -5.006 1.00 0.00 N ATOM 0 H GLN A 32 -3.658 32.484 -4.670 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.430 34.715 -5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.724 34.556 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.918 34.575 -3.228 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.088 36.795 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.495 36.769 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.476 37.454 -5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.784 37.924 -4.856 1.00 0.00 H new ATOM 511 N PHE A 33 -1.199 33.798 -2.960 1.00 0.00 N ATOM 512 CA PHE A 33 -0.067 33.969 -2.054 1.00 0.00 C ATOM 513 C PHE A 33 1.272 33.598 -2.694 1.00 0.00 C ATOM 514 O PHE A 33 2.244 34.346 -2.584 1.00 0.00 O ATOM 515 CB PHE A 33 -0.352 33.175 -0.762 1.00 0.00 C ATOM 516 CG PHE A 33 0.850 32.765 0.044 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.762 33.692 0.522 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.039 31.426 0.346 1.00 0.00 C ATOM 519 CE1 PHE A 33 2.850 33.283 1.276 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.120 31.013 1.098 1.00 0.00 C ATOM 521 CZ PHE A 33 3.029 31.939 1.561 1.00 0.00 C ATOM 0 H PHE A 33 -1.835 33.046 -2.695 1.00 0.00 H new ATOM 0 HA PHE A 33 0.036 35.026 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.002 33.777 -0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.909 32.277 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.624 34.741 0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.330 30.695 -0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.558 34.012 1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.253 29.965 1.323 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.879 31.618 2.145 1.00 0.00 H new ATOM 531 N PHE A 34 1.329 32.447 -3.349 1.00 0.00 N ATOM 532 CA PHE A 34 2.565 32.001 -3.982 1.00 0.00 C ATOM 533 C PHE A 34 2.851 32.719 -5.306 1.00 0.00 C ATOM 534 O PHE A 34 4.011 32.957 -5.643 1.00 0.00 O ATOM 535 CB PHE A 34 2.564 30.481 -4.143 1.00 0.00 C ATOM 536 CG PHE A 34 2.850 29.784 -2.841 1.00 0.00 C ATOM 537 CD1 PHE A 34 4.025 30.045 -2.151 1.00 0.00 C ATOM 538 CD2 PHE A 34 1.940 28.898 -2.290 1.00 0.00 C ATOM 539 CE1 PHE A 34 4.290 29.432 -0.944 1.00 0.00 C ATOM 540 CE2 PHE A 34 2.198 28.282 -1.076 1.00 0.00 C ATOM 541 CZ PHE A 34 3.377 28.550 -0.403 1.00 0.00 C ATOM 0 H PHE A 34 0.541 31.808 -3.456 1.00 0.00 H new ATOM 0 HA PHE A 34 3.385 32.274 -3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.596 30.156 -4.525 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.311 30.193 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.743 30.738 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.019 28.685 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.212 29.642 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.480 27.594 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.582 28.070 0.543 1.00 0.00 H new ATOM 551 N ASN A 35 1.805 33.083 -6.052 1.00 0.00 N ATOM 552 CA ASN A 35 1.997 33.797 -7.321 1.00 0.00 C ATOM 553 C ASN A 35 2.857 35.049 -7.127 1.00 0.00 C ATOM 554 O ASN A 35 3.575 35.471 -8.035 1.00 0.00 O ATOM 555 CB ASN A 35 0.650 34.167 -7.957 1.00 0.00 C ATOM 556 CG ASN A 35 0.022 33.033 -8.760 1.00 0.00 C ATOM 557 OD1 ASN A 35 0.286 31.784 -8.382 1.00 0.00 O flip ATOM 558 ND2 ASN A 35 -0.693 33.283 -9.731 1.00 0.00 N flip ATOM 0 H ASN A 35 0.832 32.900 -5.807 1.00 0.00 H new ATOM 0 HA ASN A 35 2.522 33.124 -7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.042 34.471 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.790 35.029 -8.610 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.876 34.251 -9.994 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.103 32.522 -10.272 1.00 0.00 H new ATOM 565 N ASP A 36 2.787 35.624 -5.932 1.00 0.00 N ATOM 566 CA ASP A 36 3.560 36.815 -5.582 1.00 0.00 C ATOM 567 C ASP A 36 5.072 36.562 -5.670 1.00 0.00 C ATOM 568 O ASP A 36 5.862 37.505 -5.709 1.00 0.00 O ATOM 569 CB ASP A 36 3.189 37.294 -4.178 1.00 0.00 C ATOM 570 CG ASP A 36 1.722 37.662 -4.063 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.202 38.331 -4.982 1.00 0.00 O ATOM 572 OD2 ASP A 36 1.093 37.284 -3.053 1.00 0.00 O ATOM 0 H ASP A 36 2.194 35.280 -5.177 1.00 0.00 H new ATOM 0 HA ASP A 36 3.311 37.591 -6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.422 36.511 -3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.799 38.159 -3.919 1.00 0.00 H new ATOM 577 N ASN A 37 5.469 35.288 -5.689 1.00 0.00 N ATOM 578 CA ASN A 37 6.888 34.935 -5.763 1.00 0.00 C ATOM 579 C ASN A 37 7.288 34.458 -7.161 1.00 0.00 C ATOM 580 O ASN A 37 8.476 34.395 -7.479 1.00 0.00 O ATOM 581 CB ASN A 37 7.245 33.873 -4.716 1.00 0.00 C ATOM 582 CG ASN A 37 6.707 32.495 -5.054 1.00 0.00 C ATOM 583 OD1 ASN A 37 7.051 31.917 -6.084 1.00 0.00 O ATOM 584 ND2 ASN A 37 5.866 31.957 -4.177 1.00 0.00 N ATOM 0 H ASN A 37 4.834 34.490 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 37 7.453 35.842 -5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.329 33.819 -4.618 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.853 34.181 -3.747 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.479 31.029 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.608 32.472 -3.335 1.00 0.00 H new ATOM 591 N GLY A 38 6.305 34.133 -8.003 1.00 0.00 N ATOM 592 CA GLY A 38 6.607 33.681 -9.352 1.00 0.00 C ATOM 593 C GLY A 38 6.005 32.323 -9.688 1.00 0.00 C ATOM 594 O GLY A 38 6.424 31.680 -10.649 1.00 0.00 O ATOM 0 H GLY A 38 5.312 34.175 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.239 34.419 -10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.689 33.630 -9.476 1.00 0.00 H new ATOM 598 N VAL A 39 5.022 31.883 -8.903 1.00 0.00 N ATOM 599 CA VAL A 39 4.378 30.595 -9.141 1.00 0.00 C ATOM 600 C VAL A 39 3.197 30.744 -10.094 1.00 0.00 C ATOM 601 O VAL A 39 2.481 31.744 -10.056 1.00 0.00 O ATOM 602 CB VAL A 39 3.885 29.956 -7.828 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.391 28.537 -8.074 1.00 0.00 C ATOM 604 CG2 VAL A 39 4.987 29.969 -6.782 1.00 0.00 C ATOM 0 H VAL A 39 4.657 32.397 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 39 5.129 29.945 -9.589 1.00 0.00 H new ATOM 0 HB VAL A 39 3.049 30.546 -7.451 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.047 28.103 -7.135 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.567 28.557 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.204 27.933 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.621 29.514 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.844 29.405 -7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.288 30.998 -6.583 1.00 0.00 H new ATOM 614 N ASP A 40 3.000 29.746 -10.950 1.00 0.00 N ATOM 615 CA ASP A 40 1.905 29.776 -11.912 1.00 0.00 C ATOM 616 C ASP A 40 1.512 28.364 -12.341 1.00 0.00 C ATOM 617 O ASP A 40 2.081 27.378 -11.874 1.00 0.00 O ATOM 618 CB ASP A 40 2.302 30.600 -13.138 1.00 0.00 C ATOM 619 CG ASP A 40 2.168 32.092 -12.899 1.00 0.00 C ATOM 620 OD1 ASP A 40 1.057 32.627 -13.098 1.00 0.00 O ATOM 621 OD2 ASP A 40 3.173 32.724 -12.514 1.00 0.00 O ATOM 0 H ASP A 40 3.582 28.910 -10.997 1.00 0.00 H new ATOM 0 HA ASP A 40 1.045 30.240 -11.429 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.332 30.369 -13.410 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.677 30.313 -13.984 1.00 0.00 H new ATOM 626 N GLY A 41 0.532 28.280 -13.237 1.00 0.00 N ATOM 627 CA GLY A 41 0.070 26.990 -13.721 1.00 0.00 C ATOM 628 C GLY A 41 -1.360 26.695 -13.313 1.00 0.00 C ATOM 629 O GLY A 41 -2.200 27.595 -13.277 1.00 0.00 O ATOM 0 H GLY A 41 0.049 29.084 -13.637 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.147 26.965 -14.808 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.723 26.206 -13.337 1.00 0.00 H new ATOM 633 N GLU A 42 -1.642 25.431 -13.009 1.00 0.00 N ATOM 634 CA GLU A 42 -2.985 25.026 -12.607 1.00 0.00 C ATOM 635 C GLU A 42 -2.942 23.825 -11.668 1.00 0.00 C ATOM 636 O GLU A 42 -1.965 23.076 -11.640 1.00 0.00 O ATOM 637 CB GLU A 42 -3.827 24.693 -13.841 1.00 0.00 C ATOM 638 CG GLU A 42 -3.983 25.859 -14.802 1.00 0.00 C ATOM 639 CD GLU A 42 -5.109 25.648 -15.796 1.00 0.00 C ATOM 640 OE1 GLU A 42 -6.139 25.057 -15.410 1.00 0.00 O ATOM 641 OE2 GLU A 42 -4.959 26.075 -16.961 1.00 0.00 O ATOM 0 H GLU A 42 -0.961 24.672 -13.033 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.441 25.859 -12.073 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.369 23.857 -14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.815 24.364 -13.519 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.170 26.770 -14.234 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.048 26.007 -15.343 1.00 0.00 H new ATOM 648 N TRP A 43 -4.010 23.654 -10.895 1.00 0.00 N ATOM 649 CA TRP A 43 -4.106 22.549 -9.947 1.00 0.00 C ATOM 650 C TRP A 43 -4.337 21.228 -10.658 1.00 0.00 C ATOM 651 O TRP A 43 -5.313 21.059 -11.391 1.00 0.00 O ATOM 652 CB TRP A 43 -5.226 22.812 -8.940 1.00 0.00 C ATOM 653 CG TRP A 43 -4.919 23.945 -8.011 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.303 25.248 -8.150 1.00 0.00 C ATOM 655 CD2 TRP A 43 -4.154 23.878 -6.801 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.825 25.994 -7.101 1.00 0.00 N ATOM 657 CE2 TRP A 43 -4.118 25.176 -6.259 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.499 22.846 -6.123 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.451 25.469 -5.073 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -2.838 23.138 -4.946 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.819 24.440 -4.430 1.00 0.00 C ATOM 0 H TRP A 43 -4.824 24.269 -10.907 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.157 22.481 -9.415 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.148 23.030 -9.479 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.403 21.908 -8.357 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.896 25.635 -8.966 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.972 26.995 -6.970 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.510 21.839 -6.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.433 26.473 -4.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.327 22.349 -4.414 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.295 24.636 -3.506 1.00 0.00 H new ATOM 672 N THR A 44 -3.425 20.291 -10.431 1.00 0.00 N ATOM 673 CA THR A 44 -3.513 18.975 -11.039 1.00 0.00 C ATOM 674 C THR A 44 -3.764 17.909 -9.982 1.00 0.00 C ATOM 675 O THR A 44 -3.188 17.942 -8.895 1.00 0.00 O ATOM 676 CB THR A 44 -2.229 18.655 -11.804 1.00 0.00 C ATOM 677 OG1 THR A 44 -1.133 18.538 -10.916 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.874 19.700 -12.840 1.00 0.00 C ATOM 0 H THR A 44 -2.613 20.422 -9.827 1.00 0.00 H new ATOM 0 HA THR A 44 -4.351 18.979 -11.736 1.00 0.00 H new ATOM 0 HB THR A 44 -2.424 17.712 -12.316 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.434 18.712 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.953 19.412 -13.346 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.680 19.778 -13.570 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.733 20.664 -12.351 1.00 0.00 H new ATOM 686 N TYR A 45 -4.615 16.958 -10.326 1.00 0.00 N ATOM 687 CA TYR A 45 -4.942 15.859 -9.426 1.00 0.00 C ATOM 688 C TYR A 45 -3.757 14.910 -9.285 1.00 0.00 C ATOM 689 O TYR A 45 -2.999 14.706 -10.234 1.00 0.00 O ATOM 690 CB TYR A 45 -6.166 15.099 -9.937 1.00 0.00 C ATOM 691 CG TYR A 45 -7.478 15.774 -9.606 1.00 0.00 C ATOM 692 CD1 TYR A 45 -8.083 15.586 -8.370 1.00 0.00 C ATOM 693 CD2 TYR A 45 -8.109 16.597 -10.529 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.282 16.200 -8.062 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.308 17.215 -10.228 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.890 17.014 -8.994 1.00 0.00 C ATOM 697 OH TYR A 45 -11.084 17.626 -8.692 1.00 0.00 O ATOM 0 H TYR A 45 -5.095 16.922 -11.225 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.171 16.276 -8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.088 14.986 -11.018 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.165 14.096 -9.510 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.609 14.950 -7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.656 16.757 -11.496 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.740 16.043 -7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.787 17.853 -10.956 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.377 18.165 -9.456 1.00 0.00 H new ATOM 707 N ASP A 46 -3.599 14.331 -8.099 1.00 0.00 N ATOM 708 CA ASP A 46 -2.502 13.406 -7.845 1.00 0.00 C ATOM 709 C ASP A 46 -2.735 12.078 -8.562 1.00 0.00 C ATOM 710 O ASP A 46 -3.867 11.733 -8.896 1.00 0.00 O ATOM 711 CB ASP A 46 -2.351 13.156 -6.344 1.00 0.00 C ATOM 712 CG ASP A 46 -1.599 14.269 -5.644 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.238 15.277 -5.276 1.00 0.00 O ATOM 714 OD2 ASP A 46 -0.371 14.132 -5.460 1.00 0.00 O ATOM 0 H ASP A 46 -4.215 14.486 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.587 13.858 -8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.339 13.051 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.827 12.213 -6.187 1.00 0.00 H new ATOM 719 N ASP A 47 -1.654 11.343 -8.804 1.00 0.00 N ATOM 720 CA ASP A 47 -1.743 10.056 -9.487 1.00 0.00 C ATOM 721 C ASP A 47 -2.488 9.035 -8.631 1.00 0.00 C ATOM 722 O ASP A 47 -2.209 8.888 -7.442 1.00 0.00 O ATOM 723 CB ASP A 47 -0.344 9.534 -9.821 1.00 0.00 C ATOM 724 CG ASP A 47 0.282 10.263 -10.994 1.00 0.00 C ATOM 725 OD1 ASP A 47 -0.045 11.451 -11.197 1.00 0.00 O ATOM 726 OD2 ASP A 47 1.099 9.645 -11.709 1.00 0.00 O ATOM 0 H ASP A 47 -0.708 11.615 -8.538 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.300 10.203 -10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.298 9.640 -8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.401 8.469 -10.047 1.00 0.00 H new ATOM 731 N ALA A 48 -3.440 8.336 -9.245 1.00 0.00 N ATOM 732 CA ALA A 48 -4.232 7.332 -8.541 1.00 0.00 C ATOM 733 C ALA A 48 -3.343 6.271 -7.895 1.00 0.00 C ATOM 734 O ALA A 48 -2.335 5.855 -8.467 1.00 0.00 O ATOM 735 CB ALA A 48 -5.223 6.682 -9.494 1.00 0.00 C ATOM 0 H ALA A 48 -3.681 8.447 -10.230 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.781 7.836 -7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.808 5.935 -8.957 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.890 7.443 -9.899 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.682 6.202 -10.310 1.00 0.00 H new ATOM 741 N THR A 49 -3.731 5.836 -6.700 1.00 0.00 N ATOM 742 CA THR A 49 -2.981 4.823 -5.965 1.00 0.00 C ATOM 743 C THR A 49 -3.931 3.825 -5.307 1.00 0.00 C ATOM 744 O THR A 49 -5.096 4.135 -5.063 1.00 0.00 O ATOM 745 CB THR A 49 -2.093 5.479 -4.908 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.285 6.487 -5.489 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.174 4.501 -4.208 1.00 0.00 C ATOM 0 H THR A 49 -4.565 6.171 -6.218 1.00 0.00 H new ATOM 0 HA THR A 49 -2.347 4.287 -6.671 1.00 0.00 H new ATOM 0 HB THR A 49 -2.780 5.898 -4.172 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.725 6.896 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.572 5.032 -3.471 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.769 3.737 -3.708 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.519 4.030 -4.940 1.00 0.00 H new ATOM 755 N LYS A 50 -3.429 2.625 -5.026 1.00 0.00 N ATOM 756 CA LYS A 50 -4.243 1.587 -4.402 1.00 0.00 C ATOM 757 C LYS A 50 -3.722 1.240 -3.010 1.00 0.00 C ATOM 758 O LYS A 50 -2.520 1.308 -2.747 1.00 0.00 O ATOM 759 CB LYS A 50 -4.265 0.333 -5.279 1.00 0.00 C ATOM 760 CG LYS A 50 -4.507 0.625 -6.751 1.00 0.00 C ATOM 761 CD LYS A 50 -5.197 -0.538 -7.445 1.00 0.00 C ATOM 762 CE LYS A 50 -5.310 -0.305 -8.943 1.00 0.00 C ATOM 763 NZ LYS A 50 -6.424 -1.090 -9.546 1.00 0.00 N ATOM 0 H LYS A 50 -2.466 2.349 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.258 1.972 -4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.316 -0.192 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.043 -0.339 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.118 1.522 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.556 0.831 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.640 -1.456 -7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.192 -0.678 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.469 0.756 -9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.371 -0.578 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.467 -0.903 -10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.260 -2.104 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.324 -0.811 -9.105 1.00 0.00 H new ATOM 777 N THR A 51 -4.640 0.869 -2.125 1.00 0.00 N ATOM 778 CA THR A 51 -4.296 0.509 -0.754 1.00 0.00 C ATOM 779 C THR A 51 -5.155 -0.670 -0.293 1.00 0.00 C ATOM 780 O THR A 51 -6.380 -0.645 -0.417 1.00 0.00 O ATOM 781 CB THR A 51 -4.472 1.728 0.170 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.451 2.685 -0.066 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.440 1.399 1.650 1.00 0.00 C ATOM 0 H THR A 51 -5.636 0.809 -2.335 1.00 0.00 H new ATOM 0 HA THR A 51 -3.251 0.202 -0.710 1.00 0.00 H new ATOM 0 HB THR A 51 -5.462 2.115 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.801 3.585 0.102 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.571 2.313 2.229 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.244 0.702 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.482 0.945 1.901 1.00 0.00 H new ATOM 791 N PHE A 52 -4.504 -1.704 0.231 1.00 0.00 N ATOM 792 CA PHE A 52 -5.204 -2.894 0.703 1.00 0.00 C ATOM 793 C PHE A 52 -5.773 -2.689 2.105 1.00 0.00 C ATOM 794 O PHE A 52 -5.027 -2.481 3.062 1.00 0.00 O ATOM 795 CB PHE A 52 -4.263 -4.100 0.697 1.00 0.00 C ATOM 796 CG PHE A 52 -4.944 -5.396 1.037 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.518 -6.174 0.044 1.00 0.00 C ATOM 798 CD2 PHE A 52 -5.010 -5.835 2.349 1.00 0.00 C ATOM 799 CE1 PHE A 52 -6.144 -7.365 0.354 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.635 -7.026 2.665 1.00 0.00 C ATOM 801 CZ PHE A 52 -6.203 -7.792 1.666 1.00 0.00 C ATOM 0 H PHE A 52 -3.491 -1.742 0.340 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.035 -3.080 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.804 -4.188 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.457 -3.925 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.475 -5.845 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.568 -5.239 3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.587 -7.962 -0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.679 -7.358 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.692 -8.723 1.910 1.00 0.00 H new ATOM 811 N THR A 53 -7.095 -2.767 2.224 1.00 0.00 N ATOM 812 CA THR A 53 -7.753 -2.607 3.516 1.00 0.00 C ATOM 813 C THR A 53 -8.010 -3.970 4.150 1.00 0.00 C ATOM 814 O THR A 53 -8.610 -4.850 3.530 1.00 0.00 O ATOM 815 CB THR A 53 -9.070 -1.842 3.360 1.00 0.00 C ATOM 816 OG1 THR A 53 -8.844 -0.573 2.773 1.00 0.00 O ATOM 817 CG2 THR A 53 -9.791 -1.616 4.672 1.00 0.00 C ATOM 0 H THR A 53 -7.730 -2.939 1.444 1.00 0.00 H new ATOM 0 HA THR A 53 -7.095 -2.033 4.168 1.00 0.00 H new ATOM 0 HB THR A 53 -9.695 -2.469 2.723 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.410 -0.688 1.902 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.716 -1.069 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.023 -2.578 5.130 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.154 -1.039 5.342 1.00 0.00 H new ATOM 825 N VAL A 54 -7.546 -4.147 5.384 1.00 0.00 N ATOM 826 CA VAL A 54 -7.724 -5.412 6.090 1.00 0.00 C ATOM 827 C VAL A 54 -9.177 -5.615 6.500 1.00 0.00 C ATOM 828 O VAL A 54 -9.929 -4.654 6.660 1.00 0.00 O ATOM 829 CB VAL A 54 -6.840 -5.498 7.351 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.756 -6.935 7.842 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.450 -4.936 7.087 1.00 0.00 C ATOM 0 H VAL A 54 -7.046 -3.433 5.914 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.425 -6.195 5.393 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.301 -4.891 8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.129 -6.979 8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.756 -7.296 8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.323 -7.561 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.849 -5.010 7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.973 -5.505 6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.531 -3.890 6.790 1.00 0.00 H new ATOM 841 N THR A 55 -9.565 -6.875 6.674 1.00 0.00 N ATOM 842 CA THR A 55 -10.931 -7.202 7.073 1.00 0.00 C ATOM 843 C THR A 55 -10.961 -8.390 8.031 1.00 0.00 C ATOM 844 O THR A 55 -11.154 -8.220 9.236 1.00 0.00 O ATOM 845 CB THR A 55 -11.795 -7.491 5.843 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.757 -6.402 4.937 1.00 0.00 O ATOM 847 CG2 THR A 55 -13.246 -7.756 6.181 1.00 0.00 C ATOM 0 H THR A 55 -8.956 -7.683 6.546 1.00 0.00 H new ATOM 0 HA THR A 55 -11.340 -6.337 7.596 1.00 0.00 H new ATOM 0 HB THR A 55 -11.372 -8.391 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.529 -6.450 4.336 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.803 -7.954 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.314 -8.621 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.668 -6.884 6.681 1.00 0.00 H new ATOM 855 N GLU A 56 -10.771 -9.589 7.493 1.00 0.00 N ATOM 856 CA GLU A 56 -10.777 -10.806 8.303 1.00 0.00 C ATOM 857 C GLU A 56 -10.534 -12.038 7.438 1.00 0.00 C ATOM 858 O GLU A 56 -11.326 -12.266 6.499 1.00 0.00 O ATOM 859 CB GLU A 56 -12.109 -10.950 9.045 1.00 0.00 C ATOM 860 CG GLU A 56 -13.321 -10.779 8.149 1.00 0.00 C ATOM 861 CD GLU A 56 -14.607 -10.602 8.933 1.00 0.00 C ATOM 862 OE1 GLU A 56 -15.224 -11.624 9.301 1.00 0.00 O ATOM 863 OE2 GLU A 56 -14.997 -9.442 9.179 1.00 0.00 O ATOM 864 OXT GLU A 56 -9.556 -12.766 7.709 1.00 0.00 O ATOM 0 H GLU A 56 -10.610 -9.747 6.498 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.970 -10.727 9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.150 -11.933 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.152 -10.212 9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.172 -9.913 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.413 -11.649 7.499 1.00 0.00 H new ATOM 872 N MET B 1 -10.353 17.280 2.035 1.00 0.00 N ATOM 873 CA MET B 1 -9.495 17.094 0.835 1.00 0.00 C ATOM 874 C MET B 1 -8.024 17.308 1.172 1.00 0.00 C ATOM 875 O MET B 1 -7.665 18.267 1.854 1.00 0.00 O ATOM 876 CB MET B 1 -9.943 18.085 -0.241 1.00 0.00 C ATOM 877 CG MET B 1 -11.127 17.598 -1.062 1.00 0.00 C ATOM 878 SD MET B 1 -10.626 16.812 -2.606 1.00 0.00 S ATOM 879 CE MET B 1 -9.346 15.704 -2.023 1.00 0.00 C ATOM 0 H1 MET B 1 -11.153 16.617 1.996 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.794 17.098 2.893 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.712 18.256 2.057 1.00 0.00 H new ATOM 0 HA MET B 1 -9.602 16.072 0.471 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.205 19.030 0.234 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.106 18.286 -0.910 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.708 16.890 -0.470 1.00 0.00 H new ATOM 0 HG3 MET B 1 -11.782 18.441 -1.284 1.00 0.00 H new ATOM 0 HE1 MET B 1 -9.036 15.046 -2.835 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.490 16.285 -1.680 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.731 15.105 -1.198 1.00 0.00 H new ATOM 891 N GLN B 2 -7.176 16.409 0.680 1.00 0.00 N ATOM 892 CA GLN B 2 -5.741 16.496 0.923 1.00 0.00 C ATOM 893 C GLN B 2 -5.058 17.323 -0.163 1.00 0.00 C ATOM 894 O GLN B 2 -5.162 17.012 -1.349 1.00 0.00 O ATOM 895 CB GLN B 2 -5.126 15.097 0.978 1.00 0.00 C ATOM 896 CG GLN B 2 -3.726 15.070 1.569 1.00 0.00 C ATOM 897 CD GLN B 2 -3.392 13.738 2.213 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.157 13.659 3.418 1.00 0.00 O ATOM 899 NE2 GLN B 2 -3.368 12.683 1.408 1.00 0.00 N ATOM 0 H GLN B 2 -7.459 15.612 0.110 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.588 16.989 1.883 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.773 14.448 1.568 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.094 14.684 -0.030 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.000 15.283 0.784 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.634 15.862 2.312 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -3.569 12.795 0.414 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -3.148 11.760 1.783 1.00 0.00 H new ATOM 908 N TYR B 3 -4.373 18.386 0.251 1.00 0.00 N ATOM 909 CA TYR B 3 -3.686 19.263 -0.691 1.00 0.00 C ATOM 910 C TYR B 3 -2.171 19.108 -0.625 1.00 0.00 C ATOM 911 O TYR B 3 -1.575 19.098 0.452 1.00 0.00 O ATOM 912 CB TYR B 3 -4.069 20.720 -0.434 1.00 0.00 C ATOM 913 CG TYR B 3 -5.396 21.112 -1.041 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.482 21.486 -2.377 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.560 21.110 -0.284 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.691 21.846 -2.941 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.774 21.468 -0.841 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.833 21.836 -2.169 1.00 0.00 C ATOM 919 OH TYR B 3 -9.038 22.192 -2.728 1.00 0.00 O ATOM 0 H TYR B 3 -4.279 18.660 1.229 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.004 18.970 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.105 20.893 0.642 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.290 21.368 -0.835 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.589 21.495 -2.984 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.517 20.824 0.757 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.741 22.134 -3.981 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.671 21.460 -0.240 1.00 0.00 H new ATOM 0 HH TYR B 3 -9.014 23.138 -2.983 1.00 0.00 H new ATOM 929 N LYS B 4 -1.561 18.996 -1.802 1.00 0.00 N ATOM 930 CA LYS B 4 -0.115 18.848 -1.912 1.00 0.00 C ATOM 931 C LYS B 4 0.526 20.139 -2.414 1.00 0.00 C ATOM 932 O LYS B 4 0.077 20.725 -3.399 1.00 0.00 O ATOM 933 CB LYS B 4 0.230 17.694 -2.856 1.00 0.00 C ATOM 934 CG LYS B 4 -0.392 16.369 -2.449 1.00 0.00 C ATOM 935 CD LYS B 4 0.558 15.546 -1.593 1.00 0.00 C ATOM 936 CE LYS B 4 1.496 14.709 -2.449 1.00 0.00 C ATOM 937 NZ LYS B 4 2.127 13.611 -1.668 1.00 0.00 N ATOM 0 H LYS B 4 -2.050 19.005 -2.697 1.00 0.00 H new ATOM 0 HA LYS B 4 0.280 18.628 -0.920 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.102 17.948 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.313 17.580 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -1.314 16.553 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.662 15.804 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.141 16.209 -0.954 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.016 14.893 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.943 14.287 -3.288 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.272 15.349 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.759 13.064 -2.287 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.676 14.015 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.388 12.986 -1.288 1.00 0.00 H new ATOM 951 N VAL B 5 1.578 20.576 -1.728 1.00 0.00 N ATOM 952 CA VAL B 5 2.283 21.798 -2.102 1.00 0.00 C ATOM 953 C VAL B 5 3.786 21.649 -1.890 1.00 0.00 C ATOM 954 O VAL B 5 4.234 21.282 -0.803 1.00 0.00 O ATOM 955 CB VAL B 5 1.779 23.010 -1.293 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.374 24.300 -1.834 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.258 23.069 -1.310 1.00 0.00 C ATOM 0 H VAL B 5 1.961 20.102 -0.910 1.00 0.00 H new ATOM 0 HA VAL B 5 2.081 21.969 -3.159 1.00 0.00 H new ATOM 0 HB VAL B 5 2.105 22.893 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL B 5 2.006 25.143 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.461 24.257 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.082 24.426 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -0.079 23.931 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -0.091 23.161 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.146 22.158 -0.870 1.00 0.00 H new ATOM 967 N ILE B 6 4.564 21.939 -2.930 1.00 0.00 N ATOM 968 CA ILE B 6 6.016 21.839 -2.848 1.00 0.00 C ATOM 969 C ILE B 6 6.659 23.204 -2.617 1.00 0.00 C ATOM 970 O ILE B 6 6.552 24.101 -3.454 1.00 0.00 O ATOM 971 CB ILE B 6 6.611 21.219 -4.128 1.00 0.00 C ATOM 972 CG1 ILE B 6 5.850 19.949 -4.511 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.089 20.915 -3.931 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.247 19.390 -5.860 1.00 0.00 C ATOM 0 H ILE B 6 4.212 22.245 -3.837 1.00 0.00 H new ATOM 0 HA ILE B 6 6.234 21.191 -1.999 1.00 0.00 H new ATOM 0 HB ILE B 6 6.511 21.939 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.020 19.189 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.781 20.163 -4.516 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.495 20.478 -4.843 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.623 21.837 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.209 20.212 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.667 18.490 -6.066 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.051 20.133 -6.633 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.309 19.144 -5.854 1.00 0.00 H new ATOM 986 N LEU B 7 7.344 23.354 -1.486 1.00 0.00 N ATOM 987 CA LEU B 7 8.022 24.605 -1.157 1.00 0.00 C ATOM 988 C LEU B 7 9.519 24.360 -0.988 1.00 0.00 C ATOM 989 O LEU B 7 9.933 23.569 -0.139 1.00 0.00 O ATOM 990 CB LEU B 7 7.439 25.220 0.122 1.00 0.00 C ATOM 991 CG LEU B 7 6.314 26.236 -0.100 1.00 0.00 C ATOM 992 CD1 LEU B 7 4.958 25.557 -0.004 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.410 27.379 0.906 1.00 0.00 C ATOM 0 H LEU B 7 7.444 22.624 -0.781 1.00 0.00 H new ATOM 0 HA LEU B 7 7.866 25.307 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.062 24.416 0.754 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.244 25.707 0.672 1.00 0.00 H new ATOM 0 HG LEU B 7 6.424 26.653 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.170 26.293 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.887 24.778 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU B 7 4.843 25.112 0.984 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.601 28.088 0.729 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.329 26.981 1.918 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.368 27.886 0.791 1.00 0.00 H new ATOM 1208 N ASP B 22 9.615 29.089 1.208 1.00 0.00 N ATOM 1209 CA ASP B 22 10.422 28.507 2.271 1.00 0.00 C ATOM 1210 C ASP B 22 9.567 27.666 3.200 1.00 0.00 C ATOM 1211 O ASP B 22 8.390 27.953 3.421 1.00 0.00 O ATOM 1212 CB ASP B 22 11.124 29.612 3.063 1.00 0.00 C ATOM 1213 CG ASP B 22 12.071 29.061 4.112 1.00 0.00 C ATOM 1214 OD1 ASP B 22 13.197 28.664 3.745 1.00 0.00 O ATOM 1215 OD2 ASP B 22 11.687 29.027 5.299 1.00 0.00 O ATOM 0 HA ASP B 22 11.172 27.861 1.816 1.00 0.00 H new ATOM 0 HB2 ASP B 22 11.679 30.251 2.376 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.376 30.239 3.547 1.00 0.00 H new ATOM 1220 N ALA B 23 10.174 26.627 3.741 1.00 0.00 N ATOM 1221 CA ALA B 23 9.495 25.723 4.653 1.00 0.00 C ATOM 1222 C ALA B 23 8.832 26.489 5.800 1.00 0.00 C ATOM 1223 O ALA B 23 7.693 26.207 6.174 1.00 0.00 O ATOM 1224 CB ALA B 23 10.498 24.712 5.174 1.00 0.00 C ATOM 0 H ALA B 23 11.149 26.385 3.562 1.00 0.00 H new ATOM 0 HA ALA B 23 8.699 25.201 4.121 1.00 0.00 H new ATOM 0 HB1 ALA B 23 10.001 24.027 5.860 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.915 24.150 4.339 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.300 25.232 5.698 1.00 0.00 H new ATOM 1230 N ALA B 24 9.552 27.467 6.343 1.00 0.00 N ATOM 1231 CA ALA B 24 9.038 28.287 7.434 1.00 0.00 C ATOM 1232 C ALA B 24 7.888 29.175 6.962 1.00 0.00 C ATOM 1233 O ALA B 24 6.981 29.494 7.730 1.00 0.00 O ATOM 1234 CB ALA B 24 10.154 29.138 8.023 1.00 0.00 C ATOM 0 H ALA B 24 10.496 27.711 6.043 1.00 0.00 H new ATOM 0 HA ALA B 24 8.654 27.621 8.206 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.758 29.746 8.836 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.943 28.490 8.405 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.562 29.789 7.250 1.00 0.00 H new ATOM 1240 N THR B 25 7.935 29.572 5.692 1.00 0.00 N ATOM 1241 CA THR B 25 6.902 30.426 5.112 1.00 0.00 C ATOM 1242 C THR B 25 5.551 29.717 5.116 1.00 0.00 C ATOM 1243 O THR B 25 4.516 30.329 5.384 1.00 0.00 O ATOM 1244 CB THR B 25 7.292 30.817 3.679 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.484 31.582 3.677 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.234 31.621 2.953 1.00 0.00 C ATOM 0 H THR B 25 8.680 29.315 5.044 1.00 0.00 H new ATOM 0 HA THR B 25 6.816 31.328 5.717 1.00 0.00 H new ATOM 0 HB THR B 25 7.421 29.870 3.155 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.718 31.821 2.756 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.583 31.859 1.948 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.315 31.039 2.889 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.041 32.545 3.498 1.00 0.00 H new ATOM 1254 N PHE B 26 5.573 28.422 4.835 1.00 0.00 N ATOM 1255 CA PHE B 26 4.354 27.624 4.823 1.00 0.00 C ATOM 1256 C PHE B 26 3.759 27.521 6.225 1.00 0.00 C ATOM 1257 O PHE B 26 2.555 27.682 6.418 1.00 0.00 O ATOM 1258 CB PHE B 26 4.630 26.227 4.268 1.00 0.00 C ATOM 1259 CG PHE B 26 3.395 25.528 3.781 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.799 25.901 2.586 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.826 24.503 4.517 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.660 25.264 2.136 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.686 23.860 4.072 1.00 0.00 C ATOM 1264 CZ PHE B 26 1.101 24.242 2.880 1.00 0.00 C ATOM 0 H PHE B 26 6.421 27.901 4.612 1.00 0.00 H new ATOM 0 HA PHE B 26 3.633 28.123 4.175 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.343 26.304 3.447 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.100 25.622 5.043 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.231 26.699 2.000 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.278 24.202 5.450 1.00 0.00 H new ATOM 0 HE1 PHE B 26 1.206 25.564 1.203 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.253 23.060 4.655 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.209 23.743 2.530 1.00 0.00 H new ATOM 1274 N GLU B 27 4.619 27.235 7.196 1.00 0.00 N ATOM 1275 CA GLU B 27 4.199 27.087 8.585 1.00 0.00 C ATOM 1276 C GLU B 27 3.468 28.328 9.101 1.00 0.00 C ATOM 1277 O GLU B 27 2.367 28.228 9.644 1.00 0.00 O ATOM 1278 CB GLU B 27 5.419 26.800 9.466 1.00 0.00 C ATOM 1279 CG GLU B 27 5.086 26.605 10.937 1.00 0.00 C ATOM 1280 CD GLU B 27 5.920 27.485 11.850 1.00 0.00 C ATOM 1281 OE1 GLU B 27 7.144 27.257 11.941 1.00 0.00 O ATOM 1282 OE2 GLU B 27 5.347 28.401 12.477 1.00 0.00 O ATOM 0 H GLU B 27 5.619 27.100 7.045 1.00 0.00 H new ATOM 0 HA GLU B 27 3.500 26.252 8.631 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.920 25.906 9.096 1.00 0.00 H new ATOM 0 HB3 GLU B 27 6.126 27.624 9.370 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.030 26.821 11.097 1.00 0.00 H new ATOM 0 HG3 GLU B 27 5.242 25.560 11.205 1.00 0.00 H new ATOM 1289 N LYS B 28 4.104 29.487 8.971 1.00 0.00 N ATOM 1290 CA LYS B 28 3.532 30.738 9.465 1.00 0.00 C ATOM 1291 C LYS B 28 2.288 31.177 8.690 1.00 0.00 C ATOM 1292 O LYS B 28 1.271 31.520 9.294 1.00 0.00 O ATOM 1293 CB LYS B 28 4.584 31.847 9.417 1.00 0.00 C ATOM 1294 CG LYS B 28 4.199 33.085 10.212 1.00 0.00 C ATOM 1295 CD LYS B 28 5.148 34.240 9.939 1.00 0.00 C ATOM 1296 CE LYS B 28 6.498 34.020 10.600 1.00 0.00 C ATOM 1297 NZ LYS B 28 7.277 35.284 10.707 1.00 0.00 N ATOM 0 H LYS B 28 5.017 29.588 8.527 1.00 0.00 H new ATOM 0 HA LYS B 28 3.220 30.555 10.493 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.528 31.458 9.800 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.754 32.131 8.378 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.181 33.381 9.957 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.205 32.851 11.277 1.00 0.00 H new ATOM 0 HD2 LYS B 28 5.283 34.355 8.863 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.709 35.168 10.306 1.00 0.00 H new ATOM 0 HE2 LYS B 28 6.351 33.599 11.595 1.00 0.00 H new ATOM 0 HE3 LYS B 28 7.068 33.290 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.191 35.091 11.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 7.440 35.673 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 6.745 35.973 11.276 1.00 0.00 H new ATOM 1311 N VAL B 29 2.366 31.187 7.363 1.00 0.00 N ATOM 1312 CA VAL B 29 1.236 31.609 6.535 1.00 0.00 C ATOM 1313 C VAL B 29 0.029 30.686 6.677 1.00 0.00 C ATOM 1314 O VAL B 29 -1.105 31.149 6.785 1.00 0.00 O ATOM 1315 CB VAL B 29 1.627 31.679 5.042 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.452 32.154 4.189 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.832 32.587 4.852 1.00 0.00 C ATOM 0 H VAL B 29 3.195 30.909 6.838 1.00 0.00 H new ATOM 0 HA VAL B 29 0.962 32.601 6.895 1.00 0.00 H new ATOM 0 HB VAL B 29 1.894 30.675 4.713 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.755 32.194 3.143 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.382 31.460 4.299 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.143 33.147 4.516 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.095 32.626 3.795 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.591 33.590 5.203 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.675 32.197 5.422 1.00 0.00 H new ATOM 1327 N VAL B 30 0.276 29.383 6.654 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.799 28.402 6.748 1.00 0.00 C ATOM 1329 C VAL B 30 -1.442 28.375 8.130 1.00 0.00 C ATOM 1330 O VAL B 30 -2.669 28.378 8.245 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.302 26.991 6.366 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.432 25.971 6.416 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.330 27.015 4.983 1.00 0.00 C ATOM 0 H VAL B 30 1.210 28.980 6.571 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.563 28.712 6.035 1.00 0.00 H new ATOM 0 HB VAL B 30 0.450 26.690 7.096 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.048 24.989 6.142 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -1.842 25.931 7.425 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.216 26.262 5.717 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.677 26.015 4.724 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.408 27.344 4.251 1.00 0.00 H new ATOM 0 HG23 VAL B 30 1.175 27.704 4.981 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.630 28.354 9.179 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.159 28.332 10.534 1.00 0.00 C ATOM 1345 C LYS B 31 -1.944 29.604 10.829 1.00 0.00 C ATOM 1346 O LYS B 31 -3.041 29.556 11.384 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.017 28.173 11.541 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.481 28.100 12.987 1.00 0.00 C ATOM 1349 CD LYS B 31 0.644 28.447 13.949 1.00 0.00 C ATOM 1350 CE LYS B 31 0.192 28.341 15.397 1.00 0.00 C ATOM 1351 NZ LYS B 31 1.256 28.776 16.343 1.00 0.00 N ATOM 0 H LYS B 31 0.388 28.352 9.118 1.00 0.00 H new ATOM 0 HA LYS B 31 -1.836 27.482 10.625 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.542 27.268 11.302 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.671 29.011 11.432 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.315 28.785 13.138 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.849 27.097 13.202 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.488 27.778 13.780 1.00 0.00 H new ATOM 0 HD3 LYS B 31 0.995 29.459 13.750 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.698 28.952 15.545 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.089 27.311 15.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.909 28.689 17.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.097 28.176 16.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.507 29.767 16.152 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.374 30.741 10.453 1.00 0.00 N ATOM 1366 CA GLN B 32 -2.019 32.028 10.674 1.00 0.00 C ATOM 1367 C GLN B 32 -3.315 32.156 9.875 1.00 0.00 C ATOM 1368 O GLN B 32 -4.320 32.648 10.387 1.00 0.00 O ATOM 1369 CB GLN B 32 -1.069 33.169 10.309 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.550 34.531 10.778 1.00 0.00 C ATOM 1371 CD GLN B 32 -0.460 35.584 10.722 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -0.108 36.074 9.648 1.00 0.00 O ATOM 1373 NE2 GLN B 32 0.082 35.937 11.882 1.00 0.00 N ATOM 0 H GLN B 32 -0.465 30.798 9.993 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.269 32.090 11.733 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -0.090 32.969 10.744 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.939 33.191 9.227 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -2.389 34.849 10.160 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -1.920 34.450 11.800 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -0.240 35.505 12.748 1.00 0.00 H new ATOM 0 HE22 GLN B 32 0.821 36.640 11.907 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.288 31.715 8.621 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.458 31.778 7.749 1.00 0.00 C ATOM 1384 C PHE B 33 -5.585 30.840 8.189 1.00 0.00 C ATOM 1385 O PHE B 33 -6.745 31.250 8.253 1.00 0.00 O ATOM 1386 CB PHE B 33 -4.001 31.520 6.298 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.052 31.007 5.353 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.228 31.700 5.120 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.829 29.822 4.670 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.170 31.209 4.230 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.761 29.329 3.781 1.00 0.00 C ATOM 1392 CZ PHE B 33 -6.936 30.018 3.562 1.00 0.00 C ATOM 0 H PHE B 33 -2.462 31.307 8.183 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.895 32.774 7.817 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.601 32.450 5.894 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.180 30.803 6.320 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.413 32.631 5.636 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -3.912 29.277 4.836 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.086 31.754 4.057 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.571 28.404 3.257 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.671 29.630 2.872 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.251 29.592 8.485 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.257 28.622 8.903 1.00 0.00 C ATOM 1404 C PHE B 34 -6.691 28.803 10.363 1.00 0.00 C ATOM 1405 O PHE B 34 -7.849 28.556 10.699 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.779 27.200 8.619 1.00 0.00 C ATOM 1407 CG PHE B 34 -5.894 26.855 7.159 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -7.122 26.925 6.518 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -4.780 26.492 6.420 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -7.239 26.635 5.173 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -4.891 26.203 5.070 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.124 26.275 4.448 1.00 0.00 C ATOM 0 H PHE B 34 -4.299 29.228 8.445 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.151 28.806 8.308 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.742 27.094 8.937 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.366 26.495 9.207 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -8.000 27.211 7.079 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -3.815 26.434 6.901 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.203 26.690 4.690 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -4.015 25.922 4.504 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.213 26.049 3.396 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.779 29.249 11.229 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.124 29.471 12.639 1.00 0.00 C ATOM 1424 C ASN B 35 -7.341 30.392 12.773 1.00 0.00 C ATOM 1425 O ASN B 35 -8.111 30.289 13.728 1.00 0.00 O ATOM 1426 CB ASN B 35 -4.931 30.042 13.418 1.00 0.00 C ATOM 1427 CG ASN B 35 -3.945 28.980 13.891 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.826 27.874 13.160 1.00 0.00 O flip ATOM 1429 ND2 ASN B 35 -3.297 29.151 14.925 1.00 0.00 N flip ATOM 0 H ASN B 35 -4.811 29.461 10.987 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.381 28.503 13.069 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.405 30.758 12.787 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.302 30.592 14.283 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.412 30.010 15.462 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -2.646 28.433 15.243 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.509 31.277 11.798 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.630 32.217 11.768 1.00 0.00 C ATOM 1438 C ASP B 36 -9.983 31.491 11.705 1.00 0.00 C ATOM 1439 O ASP B 36 -11.025 32.089 11.973 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.490 33.169 10.581 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.219 33.994 10.648 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -6.884 34.482 11.748 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.559 34.153 9.600 1.00 0.00 O ATOM 0 H ASP B 36 -6.874 31.366 11.005 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.604 32.789 12.695 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.498 32.594 9.655 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.352 33.836 10.550 1.00 0.00 H new ATOM 1448 N ASN B 37 -9.961 30.209 11.338 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.193 29.425 11.236 1.00 0.00 C ATOM 1450 C ASN B 37 -11.360 28.462 12.417 1.00 0.00 C ATOM 1451 O ASN B 37 -12.454 27.941 12.642 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.244 28.659 9.907 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.297 27.475 9.863 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -10.404 26.548 10.666 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.367 27.497 8.916 1.00 0.00 N ATOM 0 H ASN B 37 -9.111 29.694 11.108 1.00 0.00 H new ATOM 0 HA ASN B 37 -12.025 30.129 11.267 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -12.262 28.308 9.736 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -11.001 29.341 9.092 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.705 26.725 8.833 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.314 28.286 8.271 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.288 28.236 13.179 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.372 27.342 14.327 1.00 0.00 C ATOM 1464 C GLY B 38 -9.364 26.203 14.287 1.00 0.00 C ATOM 1465 O GLY B 38 -9.522 25.209 14.996 1.00 0.00 O ATOM 0 H GLY B 38 -9.370 28.652 13.024 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.219 27.920 15.239 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.378 26.925 14.379 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.328 26.337 13.461 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.304 25.302 13.348 1.00 0.00 C ATOM 1471 C VAL B 39 -6.185 25.529 14.359 1.00 0.00 C ATOM 1472 O VAL B 39 -5.820 26.668 14.647 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.697 25.255 11.932 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -5.777 24.054 11.781 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -7.797 25.225 10.882 1.00 0.00 C ATOM 0 H VAL B 39 -8.176 27.149 12.863 1.00 0.00 H new ATOM 0 HA VAL B 39 -7.794 24.350 13.553 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.104 26.157 11.783 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.359 24.040 10.774 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -4.968 24.122 12.509 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.343 23.138 11.952 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.351 25.192 9.888 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.418 24.341 11.031 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.412 26.120 10.974 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.647 24.440 14.899 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.571 24.530 15.880 1.00 0.00 C ATOM 1487 C ASP B 40 -3.739 23.250 15.903 1.00 0.00 C ATOM 1488 O ASP B 40 -3.993 22.317 15.142 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.149 24.799 17.270 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.498 26.259 17.478 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -4.606 27.029 17.893 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -6.664 26.633 17.228 1.00 0.00 O ATOM 0 H ASP B 40 -5.937 23.488 14.675 1.00 0.00 H new ATOM 0 HA ASP B 40 -3.920 25.356 15.593 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.042 24.191 17.413 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.428 24.489 18.027 1.00 0.00 H new ATOM 1497 N GLY B 41 -2.743 23.217 16.784 1.00 0.00 N ATOM 1498 CA GLY B 41 -1.881 22.052 16.895 1.00 0.00 C ATOM 1499 C GLY B 41 -0.451 22.347 16.486 1.00 0.00 C ATOM 1500 O GLY B 41 0.064 23.433 16.749 1.00 0.00 O ATOM 0 H GLY B 41 -2.517 23.978 17.425 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -1.894 21.691 17.923 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.276 21.251 16.271 1.00 0.00 H new ATOM 1504 N GLU B 42 0.196 21.375 15.847 1.00 0.00 N ATOM 1505 CA GLU B 42 1.578 21.541 15.410 1.00 0.00 C ATOM 1506 C GLU B 42 1.866 20.711 14.163 1.00 0.00 C ATOM 1507 O GLU B 42 1.172 19.735 13.878 1.00 0.00 O ATOM 1508 CB GLU B 42 2.538 21.147 16.533 1.00 0.00 C ATOM 1509 CG GLU B 42 2.366 21.974 17.797 1.00 0.00 C ATOM 1510 CD GLU B 42 3.541 21.840 18.745 1.00 0.00 C ATOM 1511 OE1 GLU B 42 4.690 21.763 18.260 1.00 0.00 O ATOM 1512 OE2 GLU B 42 3.313 21.812 19.973 1.00 0.00 O ATOM 0 H GLU B 42 -0.213 20.468 15.622 1.00 0.00 H new ATOM 0 HA GLU B 42 1.728 22.592 15.162 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.390 20.094 16.774 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.563 21.251 16.177 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.240 23.022 17.527 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.454 21.665 18.308 1.00 0.00 H new ATOM 1519 N TRP B 43 2.897 21.110 13.423 1.00 0.00 N ATOM 1520 CA TRP B 43 3.286 20.411 12.204 1.00 0.00 C ATOM 1521 C TRP B 43 3.947 19.079 12.517 1.00 0.00 C ATOM 1522 O TRP B 43 4.959 19.019 13.216 1.00 0.00 O ATOM 1523 CB TRP B 43 4.221 21.285 11.369 1.00 0.00 C ATOM 1524 CG TRP B 43 3.536 22.484 10.791 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.503 23.743 11.316 1.00 0.00 C ATOM 1526 CD2 TRP B 43 2.773 22.533 9.579 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.769 24.573 10.505 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.311 23.855 9.432 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.439 21.590 8.605 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.532 24.254 8.350 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.665 21.988 7.530 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.219 23.310 7.411 1.00 0.00 C ATOM 0 H TRP B 43 3.479 21.917 13.648 1.00 0.00 H new ATOM 0 HA TRP B 43 2.382 20.208 11.630 1.00 0.00 H new ATOM 0 HB2 TRP B 43 5.054 21.613 11.990 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.642 20.688 10.560 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.984 24.043 12.235 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.593 25.563 10.674 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.779 20.568 8.689 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.187 25.273 8.255 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.400 21.268 6.770 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.615 23.590 6.560 1.00 0.00 H new ATOM 1543 N THR B 44 3.361 18.015 11.987 1.00 0.00 N ATOM 1544 CA THR B 44 3.879 16.673 12.194 1.00 0.00 C ATOM 1545 C THR B 44 4.399 16.089 10.889 1.00 0.00 C ATOM 1546 O THR B 44 3.790 16.253 9.831 1.00 0.00 O ATOM 1547 CB THR B 44 2.794 15.767 12.774 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.752 15.570 11.834 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.174 16.312 14.042 1.00 0.00 C ATOM 0 H THR B 44 2.522 18.057 11.408 1.00 0.00 H new ATOM 0 HA THR B 44 4.706 16.734 12.902 1.00 0.00 H new ATOM 0 HB THR B 44 3.295 14.828 13.010 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.768 16.292 11.171 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.412 15.620 14.401 1.00 0.00 H new ATOM 0 HG22 THR B 44 2.945 16.429 14.803 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.718 17.280 13.837 1.00 0.00 H new ATOM 1557 N TYR B 45 5.517 15.391 10.984 1.00 0.00 N ATOM 1558 CA TYR B 45 6.125 14.755 9.823 1.00 0.00 C ATOM 1559 C TYR B 45 5.286 13.568 9.361 1.00 0.00 C ATOM 1560 O TYR B 45 4.671 12.878 10.173 1.00 0.00 O ATOM 1561 CB TYR B 45 7.547 14.296 10.149 1.00 0.00 C ATOM 1562 CG TYR B 45 8.568 15.408 10.087 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.150 15.773 8.879 1.00 0.00 C ATOM 1564 CD2 TYR B 45 8.950 16.092 11.234 1.00 0.00 C ATOM 1565 CE1 TYR B 45 10.084 16.789 8.816 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.884 17.110 11.178 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.447 17.454 9.968 1.00 0.00 C ATOM 1568 OH TYR B 45 11.378 18.466 9.909 1.00 0.00 O ATOM 0 H TYR B 45 6.026 15.248 11.856 1.00 0.00 H new ATOM 0 HA TYR B 45 6.168 15.487 9.016 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.559 13.858 11.147 1.00 0.00 H new ATOM 0 HB3 TYR B 45 7.835 13.509 9.452 1.00 0.00 H new ATOM 0 HD1 TYR B 45 8.868 15.254 7.975 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.511 15.825 12.184 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.527 17.061 7.870 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.171 17.633 12.078 1.00 0.00 H new ATOM 0 HH TYR B 45 11.521 18.832 10.807 1.00 0.00 H new ATOM 1578 N ASP B 46 5.264 13.335 8.053 1.00 0.00 N ATOM 1579 CA ASP B 46 4.497 12.228 7.491 1.00 0.00 C ATOM 1580 C ASP B 46 5.161 10.891 7.806 1.00 0.00 C ATOM 1581 O ASP B 46 6.360 10.831 8.076 1.00 0.00 O ATOM 1582 CB ASP B 46 4.362 12.389 5.975 1.00 0.00 C ATOM 1583 CG ASP B 46 3.271 13.368 5.590 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.553 14.584 5.547 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.135 12.919 5.330 1.00 0.00 O ATOM 0 H ASP B 46 5.766 13.895 7.364 1.00 0.00 H new ATOM 0 HA ASP B 46 3.506 12.242 7.944 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.312 12.729 5.563 1.00 0.00 H new ATOM 0 HB3 ASP B 46 4.149 11.418 5.527 1.00 0.00 H new ATOM 1590 N ASP B 47 4.373 9.820 7.775 1.00 0.00 N ATOM 1591 CA ASP B 47 4.888 8.484 8.059 1.00 0.00 C ATOM 1592 C ASP B 47 5.868 8.038 6.978 1.00 0.00 C ATOM 1593 O ASP B 47 5.590 8.163 5.786 1.00 0.00 O ATOM 1594 CB ASP B 47 3.736 7.481 8.162 1.00 0.00 C ATOM 1595 CG ASP B 47 2.972 7.607 9.465 1.00 0.00 C ATOM 1596 OD1 ASP B 47 2.917 8.727 10.016 1.00 0.00 O ATOM 1597 OD2 ASP B 47 2.428 6.586 9.934 1.00 0.00 O ATOM 0 H ASP B 47 3.377 9.851 7.556 1.00 0.00 H new ATOM 0 HA ASP B 47 5.416 8.521 9.012 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.052 7.632 7.327 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.130 6.469 8.072 1.00 0.00 H new ATOM 1602 N ALA B 48 7.016 7.521 7.405 1.00 0.00 N ATOM 1603 CA ALA B 48 8.044 7.060 6.478 1.00 0.00 C ATOM 1604 C ALA B 48 7.503 6.009 5.515 1.00 0.00 C ATOM 1605 O ALA B 48 6.704 5.153 5.894 1.00 0.00 O ATOM 1606 CB ALA B 48 9.235 6.507 7.245 1.00 0.00 C ATOM 0 H ALA B 48 7.258 7.411 8.390 1.00 0.00 H new ATOM 0 HA ALA B 48 8.365 7.917 5.887 1.00 0.00 H new ATOM 0 HB1 ALA B 48 9.995 6.167 6.541 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.653 7.288 7.880 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.912 5.670 7.864 1.00 0.00 H new ATOM 1612 N THR B 49 7.951 6.082 4.267 1.00 0.00 N ATOM 1613 CA THR B 49 7.523 5.144 3.239 1.00 0.00 C ATOM 1614 C THR B 49 8.704 4.727 2.369 1.00 0.00 C ATOM 1615 O THR B 49 9.702 5.441 2.282 1.00 0.00 O ATOM 1616 CB THR B 49 6.426 5.764 2.374 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.376 6.268 3.180 1.00 0.00 O ATOM 1618 CG2 THR B 49 5.818 4.790 1.387 1.00 0.00 C ATOM 0 H THR B 49 8.614 6.786 3.943 1.00 0.00 H new ATOM 0 HA THR B 49 7.123 4.257 3.730 1.00 0.00 H new ATOM 0 HB THR B 49 6.916 6.563 1.817 1.00 0.00 H new ATOM 0 HG1 THR B 49 4.685 6.662 2.608 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.047 5.295 0.806 1.00 0.00 H new ATOM 0 HG22 THR B 49 6.594 4.420 0.717 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.375 3.953 1.927 1.00 0.00 H new ATOM 1626 N LYS B 50 8.589 3.566 1.734 1.00 0.00 N ATOM 1627 CA LYS B 50 9.656 3.059 0.879 1.00 0.00 C ATOM 1628 C LYS B 50 9.207 2.985 -0.577 1.00 0.00 C ATOM 1629 O LYS B 50 8.036 2.747 -0.869 1.00 0.00 O ATOM 1630 CB LYS B 50 10.105 1.676 1.357 1.00 0.00 C ATOM 1631 CG LYS B 50 10.311 1.589 2.861 1.00 0.00 C ATOM 1632 CD LYS B 50 11.352 0.542 3.222 1.00 0.00 C ATOM 1633 CE LYS B 50 11.458 0.358 4.727 1.00 0.00 C ATOM 1634 NZ LYS B 50 12.784 -0.186 5.130 1.00 0.00 N ATOM 0 H LYS B 50 7.771 2.960 1.795 1.00 0.00 H new ATOM 0 HA LYS B 50 10.495 3.751 0.943 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.361 0.938 1.057 1.00 0.00 H new ATOM 0 HB3 LYS B 50 11.036 1.412 0.855 1.00 0.00 H new ATOM 0 HG2 LYS B 50 10.623 2.561 3.243 1.00 0.00 H new ATOM 0 HG3 LYS B 50 9.365 1.345 3.345 1.00 0.00 H new ATOM 0 HD2 LYS B 50 11.091 -0.408 2.756 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.322 0.838 2.821 1.00 0.00 H new ATOM 0 HE2 LYS B 50 11.293 1.315 5.222 1.00 0.00 H new ATOM 0 HE3 LYS B 50 10.671 -0.316 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 12.814 -0.296 6.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 12.931 -1.111 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 13.534 0.469 4.830 1.00 0.00 H new ATOM 1648 N THR B 51 10.156 3.190 -1.486 1.00 0.00 N ATOM 1649 CA THR B 51 9.878 3.151 -2.917 1.00 0.00 C ATOM 1650 C THR B 51 11.041 2.485 -3.658 1.00 0.00 C ATOM 1651 O THR B 51 12.201 2.851 -3.470 1.00 0.00 O ATOM 1652 CB THR B 51 9.618 4.575 -3.442 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.359 5.051 -2.992 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.622 4.691 -4.954 1.00 0.00 C ATOM 0 H THR B 51 11.130 3.386 -1.254 1.00 0.00 H new ATOM 0 HA THR B 51 8.981 2.558 -3.097 1.00 0.00 H new ATOM 0 HB THR B 51 10.445 5.168 -3.050 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.311 4.977 -2.016 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.431 5.725 -5.240 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.593 4.381 -5.340 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.844 4.050 -5.370 1.00 0.00 H new ATOM 1662 N PHE B 52 10.719 1.497 -4.488 1.00 0.00 N ATOM 1663 CA PHE B 52 11.732 0.771 -5.253 1.00 0.00 C ATOM 1664 C PHE B 52 12.139 1.536 -6.507 1.00 0.00 C ATOM 1665 O PHE B 52 11.318 1.775 -7.392 1.00 0.00 O ATOM 1666 CB PHE B 52 11.210 -0.615 -5.637 1.00 0.00 C ATOM 1667 CG PHE B 52 12.238 -1.484 -6.303 1.00 0.00 C ATOM 1668 CD1 PHE B 52 13.067 -2.300 -5.550 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.374 -1.487 -7.682 1.00 0.00 C ATOM 1670 CE1 PHE B 52 14.012 -3.102 -6.159 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.319 -2.288 -8.297 1.00 0.00 C ATOM 1672 CZ PHE B 52 14.138 -3.097 -7.534 1.00 0.00 C ATOM 0 H PHE B 52 9.763 1.179 -4.649 1.00 0.00 H new ATOM 0 HA PHE B 52 12.613 0.665 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.847 -1.118 -4.741 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.357 -0.500 -6.305 1.00 0.00 H new ATOM 0 HD1 PHE B 52 12.973 -2.309 -4.474 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.735 -0.857 -8.283 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.652 -3.733 -5.560 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.416 -2.281 -9.373 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.876 -3.725 -8.012 1.00 0.00 H new ATOM 1682 N THR B 53 13.414 1.902 -6.588 1.00 0.00 N ATOM 1683 CA THR B 53 13.926 2.623 -7.748 1.00 0.00 C ATOM 1684 C THR B 53 14.563 1.648 -8.734 1.00 0.00 C ATOM 1685 O THR B 53 15.438 0.864 -8.366 1.00 0.00 O ATOM 1686 CB THR B 53 14.945 3.680 -7.317 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.364 4.589 -6.399 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.496 4.489 -8.473 1.00 0.00 C ATOM 0 H THR B 53 14.110 1.712 -5.867 1.00 0.00 H new ATOM 0 HA THR B 53 13.093 3.126 -8.238 1.00 0.00 H new ATOM 0 HB THR B 53 15.763 3.123 -6.861 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.045 4.100 -5.612 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.212 5.220 -8.097 1.00 0.00 H new ATOM 0 HG22 THR B 53 15.993 3.823 -9.179 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.680 5.007 -8.976 1.00 0.00 H new ATOM 1696 N VAL B 54 14.116 1.694 -9.986 1.00 0.00 N ATOM 1697 CA VAL B 54 14.643 0.805 -11.015 1.00 0.00 C ATOM 1698 C VAL B 54 16.067 1.187 -11.399 1.00 0.00 C ATOM 1699 O VAL B 54 16.477 2.338 -11.240 1.00 0.00 O ATOM 1700 CB VAL B 54 13.772 0.813 -12.288 1.00 0.00 C ATOM 1701 CG1 VAL B 54 14.114 -0.376 -13.172 1.00 0.00 C ATOM 1702 CG2 VAL B 54 12.290 0.814 -11.939 1.00 0.00 C ATOM 0 H VAL B 54 13.393 2.335 -10.311 1.00 0.00 H new ATOM 0 HA VAL B 54 14.633 -0.196 -10.585 1.00 0.00 H new ATOM 0 HB VAL B 54 13.986 1.729 -12.839 1.00 0.00 H new ATOM 0 HG11 VAL B 54 13.491 -0.356 -14.066 1.00 0.00 H new ATOM 0 HG12 VAL B 54 15.164 -0.325 -13.460 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.933 -1.301 -12.624 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.700 0.820 -12.856 1.00 0.00 H new ATOM 0 HG22 VAL B 54 12.052 -0.078 -11.360 1.00 0.00 H new ATOM 0 HG23 VAL B 54 12.055 1.701 -11.351 1.00 0.00 H new ATOM 1712 N THR B 55 16.819 0.217 -11.908 1.00 0.00 N ATOM 1713 CA THR B 55 18.199 0.457 -12.318 1.00 0.00 C ATOM 1714 C THR B 55 18.552 -0.334 -13.575 1.00 0.00 C ATOM 1715 O THR B 55 18.624 0.224 -14.670 1.00 0.00 O ATOM 1716 CB THR B 55 19.164 0.110 -11.182 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.830 0.829 -10.007 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.608 0.418 -11.512 1.00 0.00 C ATOM 0 H THR B 55 16.498 -0.741 -12.047 1.00 0.00 H new ATOM 0 HA THR B 55 18.297 1.517 -12.551 1.00 0.00 H new ATOM 0 HB THR B 55 19.063 -0.965 -11.031 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.605 0.853 -9.407 1.00 0.00 H new ATOM 0 HG21 THR B 55 21.240 0.149 -10.666 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.911 -0.155 -12.388 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.714 1.483 -11.720 1.00 0.00 H new ATOM 1726 N GLU B 56 18.771 -1.634 -13.413 1.00 0.00 N ATOM 1727 CA GLU B 56 19.118 -2.501 -14.538 1.00 0.00 C ATOM 1728 C GLU B 56 19.315 -3.941 -14.076 1.00 0.00 C ATOM 1729 O GLU B 56 20.164 -4.166 -13.188 1.00 0.00 O ATOM 1730 CB GLU B 56 20.390 -2.002 -15.227 1.00 0.00 C ATOM 1731 CG GLU B 56 21.528 -1.718 -14.264 1.00 0.00 C ATOM 1732 CD GLU B 56 22.658 -0.940 -14.907 1.00 0.00 C ATOM 1733 OE1 GLU B 56 23.543 -1.574 -15.520 1.00 0.00 O ATOM 1734 OE2 GLU B 56 22.659 0.305 -14.798 1.00 0.00 O ATOM 1735 OXT GLU B 56 18.622 -4.833 -14.609 1.00 0.00 O ATOM 0 H GLU B 56 18.715 -2.113 -12.514 1.00 0.00 H new ATOM 0 HA GLU B 56 18.292 -2.472 -15.249 1.00 0.00 H new ATOM 0 HB2 GLU B 56 20.716 -2.746 -15.953 1.00 0.00 H new ATOM 0 HB3 GLU B 56 20.160 -1.093 -15.783 1.00 0.00 H new ATOM 0 HG2 GLU B 56 21.145 -1.157 -13.411 1.00 0.00 H new ATOM 0 HG3 GLU B 56 21.915 -2.661 -13.878 1.00 0.00 H new ATOM 1743 N MET C 1 5.142 -0.636 8.259 1.00 0.00 N ATOM 1744 CA MET C 1 5.869 0.144 7.225 1.00 0.00 C ATOM 1745 C MET C 1 5.089 0.189 5.916 1.00 0.00 C ATOM 1746 O MET C 1 4.576 -0.830 5.454 1.00 0.00 O ATOM 1747 CB MET C 1 7.241 -0.497 7.004 1.00 0.00 C ATOM 1748 CG MET C 1 8.289 -0.055 8.012 1.00 0.00 C ATOM 1749 SD MET C 1 9.309 1.302 7.404 1.00 0.00 S ATOM 1750 CE MET C 1 8.053 2.421 6.789 1.00 0.00 C ATOM 0 H1 MET C 1 5.293 -0.201 9.192 1.00 0.00 H new ATOM 0 H2 MET C 1 4.125 -0.641 8.039 1.00 0.00 H new ATOM 0 H3 MET C 1 5.498 -1.613 8.271 1.00 0.00 H new ATOM 0 HA MET C 1 5.987 1.171 7.570 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.138 -1.581 7.051 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.589 -0.253 6.000 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.794 0.252 8.933 1.00 0.00 H new ATOM 0 HG3 MET C 1 8.929 -0.902 8.260 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.515 3.368 6.510 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.570 1.982 5.916 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.309 2.595 7.566 1.00 0.00 H new ATOM 1762 N GLN C 2 5.010 1.375 5.323 1.00 0.00 N ATOM 1763 CA GLN C 2 4.295 1.556 4.064 1.00 0.00 C ATOM 1764 C GLN C 2 5.227 1.336 2.877 1.00 0.00 C ATOM 1765 O GLN C 2 6.258 1.996 2.754 1.00 0.00 O ATOM 1766 CB GLN C 2 3.686 2.958 3.997 1.00 0.00 C ATOM 1767 CG GLN C 2 2.647 3.118 2.900 1.00 0.00 C ATOM 1768 CD GLN C 2 1.620 4.186 3.222 1.00 0.00 C ATOM 1769 OE1 GLN C 2 0.428 3.902 3.343 1.00 0.00 O ATOM 1770 NE2 GLN C 2 2.079 5.425 3.364 1.00 0.00 N ATOM 0 H GLN C 2 5.432 2.226 5.694 1.00 0.00 H new ATOM 0 HA GLN C 2 3.494 0.818 4.018 1.00 0.00 H new ATOM 0 HB2 GLN C 2 3.227 3.192 4.958 1.00 0.00 H new ATOM 0 HB3 GLN C 2 4.483 3.684 3.839 1.00 0.00 H new ATOM 0 HG2 GLN C 2 3.147 3.370 1.965 1.00 0.00 H new ATOM 0 HG3 GLN C 2 2.139 2.166 2.744 1.00 0.00 H new ATOM 0 HE21 GLN C 2 3.075 5.615 3.255 1.00 0.00 H new ATOM 0 HE22 GLN C 2 1.435 6.186 3.582 1.00 0.00 H new ATOM 1779 N TYR C 3 4.864 0.394 2.011 1.00 0.00 N ATOM 1780 CA TYR C 3 5.676 0.077 0.841 1.00 0.00 C ATOM 1781 C TYR C 3 5.032 0.558 -0.455 1.00 0.00 C ATOM 1782 O TYR C 3 3.842 0.347 -0.695 1.00 0.00 O ATOM 1783 CB TYR C 3 5.933 -1.427 0.764 1.00 0.00 C ATOM 1784 CG TYR C 3 7.054 -1.893 1.664 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.378 -1.800 1.255 1.00 0.00 C ATOM 1786 CD2 TYR C 3 6.792 -2.425 2.920 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.409 -2.223 2.070 1.00 0.00 C ATOM 1788 CE2 TYR C 3 7.819 -2.849 3.744 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.125 -2.746 3.313 1.00 0.00 C ATOM 1790 OH TYR C 3 10.150 -3.167 4.128 1.00 0.00 O ATOM 0 H TYR C 3 4.014 -0.162 2.098 1.00 0.00 H new ATOM 0 HA TYR C 3 6.623 0.605 0.956 1.00 0.00 H new ATOM 0 HB2 TYR C 3 5.019 -1.958 1.030 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.169 -1.695 -0.266 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.605 -1.390 0.282 1.00 0.00 H new ATOM 0 HD2 TYR C 3 5.770 -2.509 3.259 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.433 -2.144 1.735 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.599 -3.258 4.719 1.00 0.00 H new ATOM 0 HH TYR C 3 10.573 -3.961 3.738 1.00 0.00 H new ATOM 1800 N LYS C 4 5.845 1.204 -1.286 1.00 0.00 N ATOM 1801 CA LYS C 4 5.385 1.721 -2.569 1.00 0.00 C ATOM 1802 C LYS C 4 5.917 0.869 -3.720 1.00 0.00 C ATOM 1803 O LYS C 4 7.106 0.560 -3.779 1.00 0.00 O ATOM 1804 CB LYS C 4 5.835 3.174 -2.748 1.00 0.00 C ATOM 1805 CG LYS C 4 5.371 4.096 -1.632 1.00 0.00 C ATOM 1806 CD LYS C 4 4.057 4.775 -1.979 1.00 0.00 C ATOM 1807 CE LYS C 4 4.283 6.051 -2.773 1.00 0.00 C ATOM 1808 NZ LYS C 4 3.089 6.942 -2.747 1.00 0.00 N ATOM 0 H LYS C 4 6.830 1.382 -1.091 1.00 0.00 H new ATOM 0 HA LYS C 4 4.296 1.680 -2.580 1.00 0.00 H new ATOM 0 HB2 LYS C 4 6.923 3.204 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS C 4 5.456 3.549 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS C 4 5.254 3.524 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS C 4 6.133 4.852 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS C 4 3.434 4.091 -2.556 1.00 0.00 H new ATOM 0 HD3 LYS C 4 3.513 5.006 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS C 4 5.142 6.584 -2.366 1.00 0.00 H new ATOM 0 HE3 LYS C 4 4.524 5.798 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 3.285 7.801 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 2.275 6.443 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 2.873 7.205 -1.764 1.00 0.00 H new ATOM 1822 N VAL C 5 5.024 0.491 -4.631 1.00 0.00 N ATOM 1823 CA VAL C 5 5.401 -0.326 -5.780 1.00 0.00 C ATOM 1824 C VAL C 5 4.632 0.098 -7.029 1.00 0.00 C ATOM 1825 O VAL C 5 3.404 0.175 -7.014 1.00 0.00 O ATOM 1826 CB VAL C 5 5.148 -1.823 -5.516 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.738 -2.670 -6.631 1.00 0.00 C ATOM 1828 CG2 VAL C 5 5.721 -2.232 -4.167 1.00 0.00 C ATOM 0 H VAL C 5 4.035 0.737 -4.595 1.00 0.00 H new ATOM 0 HA VAL C 5 6.468 -0.172 -5.942 1.00 0.00 H new ATOM 0 HB VAL C 5 4.071 -1.991 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.549 -3.724 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.276 -2.396 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.813 -2.499 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.533 -3.292 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL C 5 6.795 -2.048 -4.157 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.246 -1.649 -3.378 1.00 0.00 H new ATOM 1838 N ILE C 6 5.360 0.369 -8.109 1.00 0.00 N ATOM 1839 CA ILE C 6 4.741 0.780 -9.365 1.00 0.00 C ATOM 1840 C ILE C 6 4.632 -0.388 -10.343 1.00 0.00 C ATOM 1841 O ILE C 6 5.643 -0.950 -10.765 1.00 0.00 O ATOM 1842 CB ILE C 6 5.532 1.921 -10.034 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.841 3.025 -9.020 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.754 2.485 -11.214 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.782 4.087 -9.550 1.00 0.00 C ATOM 0 H ILE C 6 6.378 0.311 -8.139 1.00 0.00 H new ATOM 0 HA ILE C 6 3.740 1.134 -9.118 1.00 0.00 H new ATOM 0 HB ILE C 6 6.475 1.518 -10.402 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.908 3.498 -8.714 1.00 0.00 H new ATOM 0 HG13 ILE C 6 6.278 2.576 -8.128 1.00 0.00 H new ATOM 0 HG21 ILE C 6 5.326 3.290 -11.676 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.581 1.696 -11.946 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.797 2.873 -10.866 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.956 4.837 -8.778 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.730 3.627 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE C 6 6.338 4.563 -10.424 1.00 0.00 H new ATOM 1857 N LEU C 7 3.404 -0.738 -10.716 1.00 0.00 N ATOM 1858 CA LEU C 7 3.168 -1.825 -11.663 1.00 0.00 C ATOM 1859 C LEU C 7 2.420 -1.301 -12.886 1.00 0.00 C ATOM 1860 O LEU C 7 1.316 -0.769 -12.768 1.00 0.00 O ATOM 1861 CB LEU C 7 2.375 -2.959 -10.998 1.00 0.00 C ATOM 1862 CG LEU C 7 3.228 -4.076 -10.385 1.00 0.00 C ATOM 1863 CD1 LEU C 7 3.468 -3.812 -8.907 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.567 -5.434 -10.586 1.00 0.00 C ATOM 0 H LEU C 7 2.556 -0.284 -10.377 1.00 0.00 H new ATOM 0 HA LEU C 7 4.131 -2.223 -11.982 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.747 -2.532 -10.216 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.707 -3.398 -11.739 1.00 0.00 H new ATOM 0 HG LEU C 7 4.191 -4.089 -10.895 1.00 0.00 H new ATOM 0 HD11 LEU C 7 4.075 -4.615 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU C 7 3.989 -2.862 -8.787 1.00 0.00 H new ATOM 0 HD13 LEU C 7 2.512 -3.770 -8.385 1.00 0.00 H new ATOM 0 HD21 LEU C 7 3.190 -6.211 -10.143 1.00 0.00 H new ATOM 0 HD22 LEU C 7 1.588 -5.437 -10.107 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.449 -5.627 -11.652 1.00 0.00 H new ATOM 2079 N ASP C 22 1.569 -6.313 -14.004 1.00 0.00 N ATOM 2080 CA ASP C 22 0.168 -5.965 -14.217 1.00 0.00 C ATOM 2081 C ASP C 22 -0.558 -5.728 -12.902 1.00 0.00 C ATOM 2082 O ASP C 22 -0.256 -6.345 -11.882 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.534 -7.074 -15.000 1.00 0.00 C ATOM 2084 CG ASP C 22 -1.956 -6.709 -15.378 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -2.135 -5.968 -16.368 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -2.890 -7.162 -14.685 1.00 0.00 O ATOM 0 HA ASP C 22 0.141 -5.037 -14.789 1.00 0.00 H new ATOM 0 HB2 ASP C 22 0.034 -7.291 -15.904 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -0.543 -7.986 -14.403 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.522 -4.823 -12.949 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.318 -4.477 -11.783 1.00 0.00 C ATOM 2093 C ALA C 23 -2.925 -5.722 -11.137 1.00 0.00 C ATOM 2094 O ALA C 23 -2.916 -5.869 -9.913 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.394 -3.493 -12.201 1.00 0.00 C ATOM 0 H ALA C 23 -1.774 -4.309 -13.793 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.677 -4.014 -11.032 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.999 -3.225 -11.335 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.928 -2.596 -12.610 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -4.030 -3.949 -12.960 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.444 -6.619 -11.969 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.046 -7.859 -11.488 1.00 0.00 C ATOM 2103 C ALA C 24 -2.992 -8.782 -10.878 1.00 0.00 C ATOM 2104 O ALA C 24 -3.282 -9.551 -9.962 1.00 0.00 O ATOM 2105 CB ALA C 24 -4.774 -8.564 -12.623 1.00 0.00 C ATOM 0 H ALA C 24 -3.460 -6.510 -12.983 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.765 -7.608 -10.708 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.219 -9.487 -12.252 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.558 -7.914 -13.012 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.067 -8.796 -13.420 1.00 0.00 H new ATOM 2111 N THR C 25 -1.770 -8.700 -11.398 1.00 0.00 N ATOM 2112 CA THR C 25 -0.669 -9.527 -10.911 1.00 0.00 C ATOM 2113 C THR C 25 -0.358 -9.208 -9.452 1.00 0.00 C ATOM 2114 O THR C 25 -0.083 -10.102 -8.653 1.00 0.00 O ATOM 2115 CB THR C 25 0.577 -9.303 -11.781 1.00 0.00 C ATOM 2116 OG1 THR C 25 0.337 -9.714 -13.114 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.808 -10.039 -11.293 1.00 0.00 C ATOM 0 H THR C 25 -1.517 -8.068 -12.158 1.00 0.00 H new ATOM 0 HA THR C 25 -0.966 -10.574 -10.975 1.00 0.00 H new ATOM 0 HB THR C 25 0.772 -8.232 -11.719 1.00 0.00 H new ATOM 0 HG1 THR C 25 0.987 -9.287 -13.710 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.645 -9.830 -11.959 1.00 0.00 H new ATOM 0 HG22 THR C 25 2.055 -9.706 -10.285 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.611 -11.111 -11.283 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.423 -7.927 -9.110 1.00 0.00 N ATOM 2126 CA PHE C 26 -0.166 -7.489 -7.743 1.00 0.00 C ATOM 2127 C PHE C 26 -1.241 -8.011 -6.794 1.00 0.00 C ATOM 2128 O PHE C 26 -0.943 -8.513 -5.711 1.00 0.00 O ATOM 2129 CB PHE C 26 -0.103 -5.963 -7.671 1.00 0.00 C ATOM 2130 CG PHE C 26 0.614 -5.456 -6.453 1.00 0.00 C ATOM 2131 CD1 PHE C 26 1.994 -5.535 -6.364 1.00 0.00 C ATOM 2132 CD2 PHE C 26 -0.092 -4.907 -5.395 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.658 -5.073 -5.243 1.00 0.00 C ATOM 2134 CE2 PHE C 26 0.565 -4.444 -4.271 1.00 0.00 C ATOM 2135 CZ PHE C 26 1.942 -4.527 -4.195 1.00 0.00 C ATOM 0 H PHE C 26 -0.651 -7.174 -9.759 1.00 0.00 H new ATOM 0 HA PHE C 26 0.797 -7.897 -7.435 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.397 -5.584 -8.563 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -1.117 -5.563 -7.680 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.558 -5.963 -7.180 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -1.169 -4.840 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE C 26 3.735 -5.139 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.003 -4.018 -3.453 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.458 -4.166 -3.318 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.495 -7.875 -7.211 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.631 -8.311 -6.406 1.00 0.00 C ATOM 2147 C GLU C 27 -3.535 -9.789 -6.026 1.00 0.00 C ATOM 2148 O GLU C 27 -3.649 -10.145 -4.853 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.934 -8.057 -7.171 1.00 0.00 C ATOM 2150 CG GLU C 27 -6.187 -8.457 -6.406 1.00 0.00 C ATOM 2151 CD GLU C 27 -7.097 -9.370 -7.208 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -7.686 -8.897 -8.203 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -7.224 -10.556 -6.837 1.00 0.00 O ATOM 0 H GLU C 27 -2.752 -7.463 -8.108 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.621 -7.733 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.996 -6.998 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -4.904 -8.606 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -5.899 -8.958 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -6.737 -7.559 -6.123 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.366 -10.649 -7.025 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.303 -12.091 -6.797 1.00 0.00 C ATOM 2162 C LYS C 28 -2.050 -12.525 -6.033 1.00 0.00 C ATOM 2163 O LYS C 28 -2.146 -13.284 -5.068 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.368 -12.832 -8.133 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.627 -14.323 -7.988 1.00 0.00 C ATOM 2166 CD LYS C 28 -3.446 -15.052 -9.309 1.00 0.00 C ATOM 2167 CE LYS C 28 -4.581 -14.747 -10.272 1.00 0.00 C ATOM 2168 NZ LYS C 28 -4.664 -15.751 -11.369 1.00 0.00 N ATOM 0 H LYS C 28 -3.270 -10.373 -8.002 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.161 -12.347 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.155 -12.392 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.429 -12.685 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -2.948 -14.741 -7.245 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.640 -14.483 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -2.497 -14.761 -9.759 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -3.398 -16.126 -9.130 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -5.524 -14.727 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -4.438 -13.754 -10.699 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -5.451 -15.507 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -3.773 -15.753 -11.906 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -4.826 -16.695 -10.964 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.880 -12.063 -6.462 1.00 0.00 N ATOM 2183 CA VAL C 29 0.374 -12.435 -5.807 1.00 0.00 C ATOM 2184 C VAL C 29 0.459 -11.931 -4.369 1.00 0.00 C ATOM 2185 O VAL C 29 0.880 -12.661 -3.474 1.00 0.00 O ATOM 2186 CB VAL C 29 1.596 -11.900 -6.588 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.903 -12.320 -5.918 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.554 -12.373 -8.032 1.00 0.00 C ATOM 0 H VAL C 29 -0.771 -11.433 -7.257 1.00 0.00 H new ATOM 0 HA VAL C 29 0.387 -13.525 -5.794 1.00 0.00 H new ATOM 0 HB VAL C 29 1.552 -10.811 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.746 -11.930 -6.488 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.936 -11.922 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.961 -13.408 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.422 -11.987 -8.567 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.567 -13.463 -8.058 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.643 -12.009 -8.508 1.00 0.00 H new ATOM 2198 N VAL C 30 0.078 -10.679 -4.160 1.00 0.00 N ATOM 2199 CA VAL C 30 0.145 -10.074 -2.834 1.00 0.00 C ATOM 2200 C VAL C 30 -0.876 -10.671 -1.871 1.00 0.00 C ATOM 2201 O VAL C 30 -0.536 -11.004 -0.735 1.00 0.00 O ATOM 2202 CB VAL C 30 -0.030 -8.541 -2.910 1.00 0.00 C ATOM 2203 CG1 VAL C 30 0.093 -7.901 -1.535 1.00 0.00 C ATOM 2204 CG2 VAL C 30 0.990 -7.945 -3.866 1.00 0.00 C ATOM 0 H VAL C 30 -0.280 -10.062 -4.889 1.00 0.00 H new ATOM 0 HA VAL C 30 1.138 -10.297 -2.443 1.00 0.00 H new ATOM 0 HB VAL C 30 -1.032 -8.333 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -0.035 -6.822 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.675 -8.305 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL C 30 1.077 -8.117 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.857 -6.864 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.996 -8.173 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.849 -8.370 -4.860 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.118 -10.815 -2.313 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.155 -11.378 -1.460 1.00 0.00 C ATOM 2216 C LYS C 31 -2.832 -12.825 -1.103 1.00 0.00 C ATOM 2217 O LYS C 31 -2.945 -13.231 0.053 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.512 -11.303 -2.164 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.664 -11.839 -1.332 1.00 0.00 C ATOM 2220 CD LYS C 31 -6.854 -12.207 -2.203 1.00 0.00 C ATOM 2221 CE LYS C 31 -8.015 -12.726 -1.371 1.00 0.00 C ATOM 2222 NZ LYS C 31 -9.141 -13.198 -2.224 1.00 0.00 N ATOM 0 H LYS C 31 -2.430 -10.553 -3.248 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.197 -10.796 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.718 -10.265 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.458 -11.864 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.335 -12.716 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.965 -11.090 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.174 -11.334 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -6.556 -12.966 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -7.671 -13.544 -0.738 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -8.368 -11.936 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -9.913 -13.544 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.486 -12.411 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -8.811 -13.969 -2.839 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.423 -13.595 -2.102 1.00 0.00 N ATOM 2237 CA GLN C 32 -2.079 -14.995 -1.895 1.00 0.00 C ATOM 2238 C GLN C 32 -0.862 -15.151 -0.986 1.00 0.00 C ATOM 2239 O GLN C 32 -0.844 -16.011 -0.107 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.817 -15.683 -3.235 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.726 -17.196 -3.132 1.00 0.00 C ATOM 2242 CD GLN C 32 -1.813 -17.880 -4.482 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -0.850 -17.894 -5.247 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -2.976 -18.449 -4.782 1.00 0.00 N ATOM 0 H GLN C 32 -2.321 -13.273 -3.065 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.928 -15.470 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.614 -15.421 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.888 -15.299 -3.656 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -0.786 -17.468 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -2.529 -17.562 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -3.748 -18.413 -4.117 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -3.096 -18.922 -5.678 1.00 0.00 H new ATOM 2253 N PHE C 33 0.154 -14.320 -1.201 1.00 0.00 N ATOM 2254 CA PHE C 33 1.376 -14.361 -0.403 1.00 0.00 C ATOM 2255 C PHE C 33 1.160 -13.928 1.049 1.00 0.00 C ATOM 2256 O PHE C 33 1.616 -14.600 1.975 1.00 0.00 O ATOM 2257 CB PHE C 33 2.457 -13.526 -1.119 1.00 0.00 C ATOM 2258 CG PHE C 33 3.563 -12.989 -0.252 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.364 -13.820 0.514 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.812 -11.626 -0.238 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.384 -13.295 1.289 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.828 -11.096 0.530 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.614 -11.929 1.297 1.00 0.00 C ATOM 0 H PHE C 33 0.154 -13.604 -1.928 1.00 0.00 H new ATOM 0 HA PHE C 33 1.712 -15.395 -0.328 1.00 0.00 H new ATOM 0 HB2 PHE C 33 2.902 -14.140 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE C 33 1.970 -12.685 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.191 -14.886 0.507 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.201 -10.968 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE C 33 6.000 -13.950 1.887 1.00 0.00 H new ATOM 0 HE2 PHE C 33 5.007 -10.031 0.530 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.408 -11.517 1.903 1.00 0.00 H new ATOM 2273 N PHE C 34 0.473 -12.812 1.249 1.00 0.00 N ATOM 2274 CA PHE C 34 0.224 -12.311 2.597 1.00 0.00 C ATOM 2275 C PHE C 34 -0.892 -13.075 3.321 1.00 0.00 C ATOM 2276 O PHE C 34 -0.835 -13.245 4.538 1.00 0.00 O ATOM 2277 CB PHE C 34 -0.037 -10.807 2.568 1.00 0.00 C ATOM 2278 CG PHE C 34 1.235 -10.024 2.394 1.00 0.00 C ATOM 2279 CD1 PHE C 34 2.272 -10.164 3.305 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.412 -9.176 1.314 1.00 0.00 C ATOM 2281 CE1 PHE C 34 3.455 -9.471 3.146 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.599 -8.483 1.147 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.621 -8.631 2.067 1.00 0.00 C ATOM 0 H PHE C 34 0.080 -12.239 0.502 1.00 0.00 H new ATOM 0 HA PHE C 34 1.127 -12.489 3.181 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.723 -10.572 1.754 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.526 -10.505 3.494 1.00 0.00 H new ATOM 0 HD1 PHE C 34 2.152 -10.825 4.151 1.00 0.00 H new ATOM 0 HD2 PHE C 34 0.616 -9.054 0.594 1.00 0.00 H new ATOM 0 HE1 PHE C 34 4.250 -9.587 3.867 1.00 0.00 H new ATOM 0 HE2 PHE C 34 2.727 -7.827 0.299 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.547 -8.089 1.940 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.895 -13.556 2.583 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.987 -14.319 3.199 1.00 0.00 C ATOM 2295 C ASN C 35 -2.445 -15.494 4.020 1.00 0.00 C ATOM 2296 O ASN C 35 -3.054 -15.910 5.006 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.981 -14.817 2.142 1.00 0.00 C ATOM 2298 CG ASN C 35 -5.019 -13.775 1.739 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -4.669 -12.493 1.808 1.00 0.00 O flip ATOM 2300 ND2 ASN C 35 -6.141 -14.126 1.376 1.00 0.00 N flip ATOM 0 H ASN C 35 -1.976 -13.434 1.573 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.516 -13.646 3.874 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.429 -15.129 1.255 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.494 -15.699 2.525 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -6.377 -15.118 1.334 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -6.836 -13.425 1.117 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.293 -16.008 3.608 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.636 -17.120 4.293 1.00 0.00 C ATOM 2309 C ASP C 36 -0.266 -16.764 5.740 1.00 0.00 C ATOM 2310 O ASP C 36 0.009 -17.649 6.551 1.00 0.00 O ATOM 2311 CB ASP C 36 0.614 -17.551 3.524 1.00 0.00 C ATOM 2312 CG ASP C 36 0.295 -18.022 2.118 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.697 -18.761 1.950 1.00 0.00 O ATOM 2314 OD2 ASP C 36 1.037 -17.650 1.185 1.00 0.00 O ATOM 0 H ASP C 36 -0.786 -15.668 2.791 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.345 -17.947 4.327 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.313 -16.716 3.475 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.113 -18.353 4.068 1.00 0.00 H new ATOM 2319 N ASN C 37 -0.251 -15.468 6.055 1.00 0.00 N ATOM 2320 CA ASN C 37 0.095 -15.016 7.404 1.00 0.00 C ATOM 2321 C ASN C 37 -1.141 -14.581 8.199 1.00 0.00 C ATOM 2322 O ASN C 37 -1.077 -14.447 9.422 1.00 0.00 O ATOM 2323 CB ASN C 37 1.126 -13.880 7.351 1.00 0.00 C ATOM 2324 CG ASN C 37 0.538 -12.561 6.886 1.00 0.00 C ATOM 2325 OD1 ASN C 37 -0.371 -12.017 7.514 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.061 -12.037 5.785 1.00 0.00 N ATOM 0 H ASN C 37 -0.472 -14.718 5.400 1.00 0.00 H new ATOM 0 HA ASN C 37 0.536 -15.866 7.924 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.562 -13.747 8.341 1.00 0.00 H new ATOM 0 HB3 ASN C 37 1.937 -14.165 6.681 1.00 0.00 H new ATOM 0 HD21 ASN C 37 0.711 -11.148 5.427 1.00 0.00 H new ATOM 0 HD22 ASN C 37 1.813 -12.523 5.297 1.00 0.00 H new ATOM 2333 N GLY C 38 -2.269 -14.375 7.513 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.489 -13.973 8.201 1.00 0.00 C ATOM 2335 C GLY C 38 -4.092 -12.681 7.667 1.00 0.00 C ATOM 2336 O GLY C 38 -4.917 -12.060 8.335 1.00 0.00 O ATOM 0 H GLY C 38 -2.359 -14.478 6.502 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -4.226 -14.772 8.113 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -3.275 -13.852 9.263 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.687 -12.273 6.465 1.00 0.00 N ATOM 2341 CA VAL C 39 -4.206 -11.048 5.861 1.00 0.00 C ATOM 2342 C VAL C 39 -5.465 -11.330 5.048 1.00 0.00 C ATOM 2343 O VAL C 39 -5.581 -12.376 4.410 1.00 0.00 O ATOM 2344 CB VAL C 39 -3.161 -10.378 4.949 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.649 -9.014 4.484 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.826 -10.257 5.667 1.00 0.00 C ATOM 0 H VAL C 39 -3.004 -12.770 5.893 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.446 -10.371 6.681 1.00 0.00 H new ATOM 0 HB VAL C 39 -3.020 -11.006 4.069 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.896 -8.558 3.841 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.579 -9.131 3.927 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.822 -8.375 5.350 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -1.100 -9.781 5.008 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.950 -9.653 6.566 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.470 -11.250 5.943 1.00 0.00 H new ATOM 2356 N ASP C 40 -6.410 -10.395 5.080 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.661 -10.551 4.346 1.00 0.00 C ATOM 2358 C ASP C 40 -8.290 -9.196 4.033 1.00 0.00 C ATOM 2359 O ASP C 40 -7.741 -8.150 4.376 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.640 -11.408 5.149 1.00 0.00 C ATOM 2361 CG ASP C 40 -8.347 -12.891 5.025 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -8.861 -13.520 4.075 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -7.606 -13.423 5.877 1.00 0.00 O ATOM 0 H ASP C 40 -6.334 -9.524 5.605 1.00 0.00 H new ATOM 0 HA ASP C 40 -7.438 -11.049 3.402 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.596 -11.118 6.199 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.656 -11.211 4.807 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.449 -9.228 3.381 1.00 0.00 N ATOM 2369 CA GLY C 41 -10.143 -8.001 3.028 1.00 0.00 C ATOM 2370 C GLY C 41 -10.221 -7.788 1.527 1.00 0.00 C ATOM 2371 O GLY C 41 -10.379 -8.744 0.768 1.00 0.00 O ATOM 0 H GLY C 41 -9.921 -10.084 3.090 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -11.151 -8.026 3.441 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.632 -7.154 3.486 1.00 0.00 H new ATOM 2375 N GLU C 42 -10.113 -6.534 1.100 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.175 -6.204 -0.320 1.00 0.00 C ATOM 2377 C GLU C 42 -9.355 -4.958 -0.637 1.00 0.00 C ATOM 2378 O GLU C 42 -9.082 -4.139 0.242 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.629 -5.998 -0.750 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.505 -7.221 -0.536 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.816 -7.137 -1.292 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -13.812 -6.633 -2.434 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -14.848 -7.576 -0.741 1.00 0.00 O ATOM 0 H GLU C 42 -9.982 -5.731 1.715 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.749 -7.039 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.048 -5.159 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.652 -5.725 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -11.963 -8.112 -0.853 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.710 -7.335 0.528 1.00 0.00 H new ATOM 2390 N TRP C 43 -8.968 -4.822 -1.901 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.178 -3.680 -2.347 1.00 0.00 C ATOM 2392 C TRP C 43 -9.020 -2.416 -2.412 1.00 0.00 C ATOM 2393 O TRP C 43 -10.030 -2.359 -3.114 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.551 -3.969 -3.710 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.494 -5.029 -3.653 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.653 -6.361 -3.902 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.115 -4.844 -3.313 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.457 -7.018 -3.741 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.498 -6.108 -3.380 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.342 -3.735 -2.963 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -3.145 -6.291 -3.108 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -2.999 -3.918 -2.692 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.412 -5.187 -2.766 1.00 0.00 C ATOM 0 H TRP C 43 -9.190 -5.492 -2.638 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.384 -3.517 -1.618 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.332 -4.279 -4.405 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.117 -3.051 -4.106 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.584 -6.831 -4.185 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -5.307 -8.019 -3.869 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -4.786 -2.752 -2.905 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.690 -7.269 -3.165 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.392 -3.068 -2.418 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.360 -5.297 -2.549 1.00 0.00 H new ATOM 2414 N THR C 44 -8.588 -1.405 -1.671 1.00 0.00 N ATOM 2415 CA THR C 44 -9.286 -0.132 -1.632 1.00 0.00 C ATOM 2416 C THR C 44 -8.437 0.968 -2.253 1.00 0.00 C ATOM 2417 O THR C 44 -7.225 1.031 -2.047 1.00 0.00 O ATOM 2418 CB THR C 44 -9.639 0.238 -0.192 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.466 0.485 0.563 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.432 -0.833 0.523 1.00 0.00 C ATOM 0 H THR C 44 -7.753 -1.445 -1.087 1.00 0.00 H new ATOM 0 HA THR C 44 -10.205 -0.233 -2.210 1.00 0.00 H new ATOM 0 HB THR C 44 -10.256 1.134 -0.265 1.00 0.00 H new ATOM 0 HG1 THR C 44 -7.726 -0.045 0.200 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.649 -0.507 1.540 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.367 -1.010 -0.009 1.00 0.00 H new ATOM 0 HG23 THR C 44 -9.852 -1.755 0.554 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.093 1.838 -3.000 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.419 2.956 -3.646 1.00 0.00 C ATOM 2430 C TYR C 45 -7.985 3.992 -2.615 1.00 0.00 C ATOM 2431 O TYR C 45 -8.663 4.199 -1.608 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.335 3.603 -4.686 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.379 2.858 -6.000 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.411 3.071 -6.972 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.389 1.942 -6.268 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.446 2.393 -8.175 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.432 1.260 -7.469 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.458 1.489 -8.419 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.496 0.811 -9.617 1.00 0.00 O ATOM 0 H TYR C 45 -10.097 1.793 -3.176 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.531 2.573 -4.149 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.344 3.666 -4.280 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.000 4.624 -4.868 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.617 3.779 -6.784 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.152 1.760 -5.526 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -7.685 2.570 -8.920 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.224 0.552 -7.663 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.271 0.212 -9.629 1.00 0.00 H new ATOM 2449 N ASP C 46 -6.854 4.642 -2.868 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.338 5.655 -1.955 1.00 0.00 C ATOM 2451 C ASP C 46 -7.184 6.924 -2.018 1.00 0.00 C ATOM 2452 O ASP C 46 -7.876 7.171 -3.004 1.00 0.00 O ATOM 2453 CB ASP C 46 -4.885 5.992 -2.297 1.00 0.00 C ATOM 2454 CG ASP C 46 -3.908 4.972 -1.748 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -3.680 3.946 -2.421 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.370 5.201 -0.644 1.00 0.00 O ATOM 0 H ASP C 46 -6.279 4.486 -3.696 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.385 5.250 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -4.774 6.050 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.640 6.976 -1.898 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.129 7.721 -0.955 1.00 0.00 N ATOM 2462 CA ASP C 47 -7.896 8.961 -0.891 1.00 0.00 C ATOM 2463 C ASP C 47 -7.388 9.968 -1.919 1.00 0.00 C ATOM 2464 O ASP C 47 -6.184 10.198 -2.035 1.00 0.00 O ATOM 2465 CB ASP C 47 -7.815 9.564 0.512 1.00 0.00 C ATOM 2466 CG ASP C 47 -8.682 8.825 1.511 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -8.899 7.610 1.324 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -9.146 9.462 2.480 1.00 0.00 O ATOM 0 H ASP C 47 -6.563 7.531 -0.128 1.00 0.00 H new ATOM 0 HA ASP C 47 -8.936 8.728 -1.119 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -6.780 9.548 0.852 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -8.121 10.609 0.473 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.315 10.562 -2.667 1.00 0.00 N ATOM 2474 CA ALA C 48 -7.965 11.541 -3.693 1.00 0.00 C ATOM 2475 C ALA C 48 -7.150 12.695 -3.111 1.00 0.00 C ATOM 2476 O ALA C 48 -7.407 13.152 -1.998 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.223 12.069 -4.366 1.00 0.00 C ATOM 0 H ALA C 48 -9.315 10.382 -2.582 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.346 11.039 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.949 12.798 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.761 11.243 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -9.861 12.545 -3.622 1.00 0.00 H new ATOM 2483 N THR C 49 -6.169 13.161 -3.878 1.00 0.00 N ATOM 2484 CA THR C 49 -5.311 14.261 -3.450 1.00 0.00 C ATOM 2485 C THR C 49 -5.052 15.224 -4.605 1.00 0.00 C ATOM 2486 O THR C 49 -5.161 14.847 -5.772 1.00 0.00 O ATOM 2487 CB THR C 49 -3.987 13.726 -2.904 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.216 12.740 -1.914 1.00 0.00 O ATOM 2489 CG2 THR C 49 -3.116 14.800 -2.290 1.00 0.00 C ATOM 0 H THR C 49 -5.948 12.792 -4.803 1.00 0.00 H new ATOM 0 HA THR C 49 -5.824 14.803 -2.656 1.00 0.00 H new ATOM 0 HB THR C 49 -3.466 13.307 -3.765 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.357 12.409 -1.578 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.192 14.353 -1.922 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.881 15.552 -3.043 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.647 15.270 -1.462 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.717 16.468 -4.275 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.453 17.480 -5.293 1.00 0.00 C ATOM 2499 C LYS C 50 -2.997 17.936 -5.253 1.00 0.00 C ATOM 2500 O LYS C 50 -2.372 17.972 -4.192 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.382 18.680 -5.101 1.00 0.00 C ATOM 2502 CG LYS C 50 -6.833 18.294 -4.862 1.00 0.00 C ATOM 2503 CD LYS C 50 -7.786 19.376 -5.344 1.00 0.00 C ATOM 2504 CE LYS C 50 -9.226 19.054 -4.977 1.00 0.00 C ATOM 2505 NZ LYS C 50 -10.196 19.719 -5.890 1.00 0.00 N ATOM 0 H LYS C 50 -4.622 16.799 -3.315 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.643 17.032 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -5.028 19.271 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -5.325 19.318 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -7.051 17.359 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -6.992 18.115 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.503 20.333 -4.906 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -7.700 19.483 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -9.376 17.975 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -9.418 19.370 -3.952 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -11.166 19.473 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -10.071 20.750 -5.838 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -10.030 19.399 -6.865 1.00 0.00 H new ATOM 2519 N THR C 51 -2.467 18.283 -6.422 1.00 0.00 N ATOM 2520 CA THR C 51 -1.086 18.738 -6.543 1.00 0.00 C ATOM 2521 C THR C 51 -0.997 19.872 -7.565 1.00 0.00 C ATOM 2522 O THR C 51 -1.496 19.754 -8.684 1.00 0.00 O ATOM 2523 CB THR C 51 -0.178 17.557 -6.935 1.00 0.00 C ATOM 2524 OG1 THR C 51 -0.018 16.667 -5.842 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.212 17.964 -7.385 1.00 0.00 C ATOM 0 H THR C 51 -2.977 18.257 -7.305 1.00 0.00 H new ATOM 0 HA THR C 51 -0.744 19.123 -5.582 1.00 0.00 H new ATOM 0 HB THR C 51 -0.686 17.086 -7.776 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.095 15.753 -6.178 1.00 0.00 H new ATOM 0 HG21 THR C 51 1.786 17.074 -7.643 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.137 18.612 -8.258 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.714 18.499 -6.578 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.373 20.976 -7.166 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.226 22.136 -8.040 1.00 0.00 C ATOM 2535 C PHE C 52 0.941 21.963 -9.008 1.00 0.00 C ATOM 2536 O PHE C 52 2.093 21.852 -8.589 1.00 0.00 O ATOM 2537 CB PHE C 52 -0.027 23.403 -7.208 1.00 0.00 C ATOM 2538 CG PHE C 52 -0.011 24.663 -8.027 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -1.187 25.343 -8.300 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.181 25.167 -8.522 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -1.175 26.501 -9.053 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.199 26.325 -9.276 1.00 0.00 C ATOM 2543 CZ PHE C 52 0.020 26.994 -9.542 1.00 0.00 C ATOM 0 H PHE C 52 0.040 21.092 -6.241 1.00 0.00 H new ATOM 0 HA PHE C 52 -1.141 22.227 -8.626 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.824 23.471 -6.468 1.00 0.00 H new ATOM 0 HB3 PHE C 52 0.912 23.324 -6.659 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -2.124 24.963 -7.920 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.106 24.649 -8.316 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -2.099 27.021 -9.259 1.00 0.00 H new ATOM 0 HE2 PHE C 52 2.135 26.707 -9.657 1.00 0.00 H new ATOM 0 HZ PHE C 52 0.032 27.900 -10.130 1.00 0.00 H new ATOM 2553 N THR C 53 0.640 21.957 -10.303 1.00 0.00 N ATOM 2554 CA THR C 53 1.671 21.819 -11.324 1.00 0.00 C ATOM 2555 C THR C 53 2.095 23.191 -11.837 1.00 0.00 C ATOM 2556 O THR C 53 1.258 23.991 -12.256 1.00 0.00 O ATOM 2557 CB THR C 53 1.171 20.954 -12.484 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.776 19.675 -12.019 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.206 20.746 -13.568 1.00 0.00 C ATOM 0 H THR C 53 -0.308 22.046 -10.669 1.00 0.00 H new ATOM 0 HA THR C 53 2.534 21.329 -10.874 1.00 0.00 H new ATOM 0 HB THR C 53 0.329 21.500 -12.909 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.097 19.777 -11.320 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.785 20.125 -14.358 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.498 21.711 -13.982 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.081 20.252 -13.146 1.00 0.00 H new ATOM 2567 N VAL C 54 3.396 23.465 -11.793 1.00 0.00 N ATOM 2568 CA VAL C 54 3.919 24.750 -12.248 1.00 0.00 C ATOM 2569 C VAL C 54 3.842 24.871 -13.765 1.00 0.00 C ATOM 2570 O VAL C 54 3.831 23.868 -14.478 1.00 0.00 O ATOM 2571 CB VAL C 54 5.382 24.966 -11.810 1.00 0.00 C ATOM 2572 CG1 VAL C 54 5.769 26.429 -11.957 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.602 24.493 -10.379 1.00 0.00 C ATOM 0 H VAL C 54 4.105 22.818 -11.448 1.00 0.00 H new ATOM 0 HA VAL C 54 3.295 25.514 -11.785 1.00 0.00 H new ATOM 0 HB VAL C 54 6.022 24.370 -12.461 1.00 0.00 H new ATOM 0 HG11 VAL C 54 6.804 26.565 -11.644 1.00 0.00 H new ATOM 0 HG12 VAL C 54 5.663 26.731 -12.999 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.118 27.042 -11.334 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.642 24.657 -10.097 1.00 0.00 H new ATOM 0 HG22 VAL C 54 4.951 25.052 -9.707 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.370 23.430 -10.307 1.00 0.00 H new ATOM 2583 N THR C 55 3.796 26.107 -14.251 1.00 0.00 N ATOM 2584 CA THR C 55 3.726 26.358 -15.688 1.00 0.00 C ATOM 2585 C THR C 55 4.542 27.588 -16.078 1.00 0.00 C ATOM 2586 O THR C 55 5.636 27.468 -16.629 1.00 0.00 O ATOM 2587 CB THR C 55 2.271 26.522 -16.134 1.00 0.00 C ATOM 2588 OG1 THR C 55 1.503 25.392 -15.759 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.121 26.701 -17.629 1.00 0.00 C ATOM 0 H THR C 55 3.806 26.948 -13.674 1.00 0.00 H new ATOM 0 HA THR C 55 4.155 25.495 -16.197 1.00 0.00 H new ATOM 0 HB THR C 55 1.916 27.425 -15.638 1.00 0.00 H new ATOM 0 HG1 THR C 55 0.689 25.354 -16.304 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.066 26.812 -17.878 1.00 0.00 H new ATOM 0 HG22 THR C 55 2.664 27.592 -17.945 1.00 0.00 H new ATOM 0 HG23 THR C 55 2.525 25.829 -18.142 1.00 0.00 H new ATOM 2597 N GLU C 56 4.004 28.768 -15.790 1.00 0.00 N ATOM 2598 CA GLU C 56 4.684 30.021 -16.113 1.00 0.00 C ATOM 2599 C GLU C 56 3.851 31.222 -15.676 1.00 0.00 C ATOM 2600 O GLU C 56 2.693 31.333 -16.129 1.00 0.00 O ATOM 2601 CB GLU C 56 4.967 30.108 -17.614 1.00 0.00 C ATOM 2602 CG GLU C 56 3.754 29.805 -18.475 1.00 0.00 C ATOM 2603 CD GLU C 56 4.114 29.572 -19.930 1.00 0.00 C ATOM 2604 OE1 GLU C 56 4.218 30.563 -20.682 1.00 0.00 O ATOM 2605 OE2 GLU C 56 4.290 28.397 -20.317 1.00 0.00 O ATOM 2606 OXT GLU C 56 4.365 32.041 -14.885 1.00 0.00 O ATOM 0 H GLU C 56 3.099 28.885 -15.334 1.00 0.00 H new ATOM 0 HA GLU C 56 5.630 30.036 -15.571 1.00 0.00 H new ATOM 0 HB2 GLU C 56 5.330 31.108 -17.850 1.00 0.00 H new ATOM 0 HB3 GLU C 56 5.766 29.411 -17.867 1.00 0.00 H new ATOM 0 HG2 GLU C 56 3.247 28.923 -18.084 1.00 0.00 H new ATOM 0 HG3 GLU C 56 3.049 30.634 -18.407 1.00 0.00 H new ATOM 2614 N MET D 1 0.877 1.753 -12.296 1.00 0.00 N ATOM 2615 CA MET D 1 -0.009 1.940 -11.118 1.00 0.00 C ATOM 2616 C MET D 1 0.778 1.848 -9.815 1.00 0.00 C ATOM 2617 O MET D 1 1.606 0.956 -9.640 1.00 0.00 O ATOM 2618 CB MET D 1 -1.100 0.868 -11.153 1.00 0.00 C ATOM 2619 CG MET D 1 -2.278 1.228 -12.045 1.00 0.00 C ATOM 2620 SD MET D 1 -3.644 1.964 -11.127 1.00 0.00 S ATOM 2621 CE MET D 1 -2.775 3.183 -10.145 1.00 0.00 C ATOM 0 H1 MET D 1 0.508 2.302 -13.098 1.00 0.00 H new ATOM 0 H2 MET D 1 1.837 2.080 -12.064 1.00 0.00 H new ATOM 0 H3 MET D 1 0.907 0.745 -12.551 1.00 0.00 H new ATOM 0 HA MET D 1 -0.456 2.933 -11.161 1.00 0.00 H new ATOM 0 HB2 MET D 1 -0.666 -0.070 -11.500 1.00 0.00 H new ATOM 0 HB3 MET D 1 -1.462 0.696 -10.139 1.00 0.00 H new ATOM 0 HG2 MET D 1 -1.946 1.924 -12.815 1.00 0.00 H new ATOM 0 HG3 MET D 1 -2.630 0.331 -12.556 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.497 3.805 -9.616 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.133 2.678 -9.423 1.00 0.00 H new ATOM 0 HE3 MET D 1 -2.166 3.809 -10.797 1.00 0.00 H new ATOM 2633 N GLN D 2 0.508 2.778 -8.903 1.00 0.00 N ATOM 2634 CA GLN D 2 1.190 2.804 -7.614 1.00 0.00 C ATOM 2635 C GLN D 2 0.430 1.973 -6.586 1.00 0.00 C ATOM 2636 O GLN D 2 -0.748 2.217 -6.325 1.00 0.00 O ATOM 2637 CB GLN D 2 1.334 4.245 -7.119 1.00 0.00 C ATOM 2638 CG GLN D 2 2.330 4.402 -5.981 1.00 0.00 C ATOM 2639 CD GLN D 2 2.953 5.783 -5.939 1.00 0.00 C ATOM 2640 OE1 GLN D 2 4.165 5.935 -6.095 1.00 0.00 O ATOM 2641 NE2 GLN D 2 2.125 6.799 -5.724 1.00 0.00 N ATOM 0 H GLN D 2 -0.177 3.522 -9.033 1.00 0.00 H new ATOM 0 HA GLN D 2 2.183 2.373 -7.744 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.644 4.877 -7.951 1.00 0.00 H new ATOM 0 HB3 GLN D 2 0.360 4.606 -6.790 1.00 0.00 H new ATOM 0 HG2 GLN D 2 1.828 4.205 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN D 2 3.117 3.655 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN D 2 1.127 6.626 -5.600 1.00 0.00 H new ATOM 0 HE22 GLN D 2 2.487 7.752 -5.683 1.00 0.00 H new ATOM 2650 N TYR D 3 1.110 0.985 -6.010 1.00 0.00 N ATOM 2651 CA TYR D 3 0.493 0.110 -5.019 1.00 0.00 C ATOM 2652 C TYR D 3 1.014 0.376 -3.610 1.00 0.00 C ATOM 2653 O TYR D 3 2.220 0.486 -3.385 1.00 0.00 O ATOM 2654 CB TYR D 3 0.723 -1.355 -5.389 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.233 -1.871 -6.437 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.501 -2.317 -6.081 1.00 0.00 C ATOM 2657 CD2 TYR D 3 0.125 -1.914 -7.778 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.384 -2.790 -7.032 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -0.754 -2.385 -8.736 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.006 -2.823 -8.358 1.00 0.00 C ATOM 2661 OH TYR D 3 -2.883 -3.292 -9.307 1.00 0.00 O ATOM 0 H TYR D 3 2.087 0.771 -6.212 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.576 0.325 -5.022 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.744 -1.474 -5.751 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.630 -1.967 -4.492 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -1.800 -2.293 -5.044 1.00 0.00 H new ATOM 0 HD2 TYR D 3 1.105 -1.574 -8.077 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.365 -3.132 -6.739 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.461 -2.410 -9.775 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.064 -4.241 -9.144 1.00 0.00 H new ATOM 2671 N LYS D 4 0.080 0.468 -2.668 1.00 0.00 N ATOM 2672 CA LYS D 4 0.414 0.712 -1.270 1.00 0.00 C ATOM 2673 C LYS D 4 0.228 -0.555 -0.437 1.00 0.00 C ATOM 2674 O LYS D 4 -0.803 -1.221 -0.523 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.456 1.838 -0.705 1.00 0.00 C ATOM 2676 CG LYS D 4 -0.359 3.134 -1.494 1.00 0.00 C ATOM 2677 CD LYS D 4 0.694 4.063 -0.911 1.00 0.00 C ATOM 2678 CE LYS D 4 0.122 4.920 0.207 1.00 0.00 C ATOM 2679 NZ LYS D 4 0.980 6.103 0.494 1.00 0.00 N ATOM 0 H LYS D 4 -0.919 0.377 -2.850 1.00 0.00 H new ATOM 0 HA LYS D 4 1.461 1.010 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -1.495 1.510 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -0.164 2.028 0.328 1.00 0.00 H new ATOM 0 HG2 LYS D 4 -0.115 2.912 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS D 4 -1.327 3.634 -1.494 1.00 0.00 H new ATOM 0 HD2 LYS D 4 1.529 3.475 -0.530 1.00 0.00 H new ATOM 0 HD3 LYS D 4 1.090 4.706 -1.698 1.00 0.00 H new ATOM 0 HE2 LYS D 4 -0.878 5.255 -0.068 1.00 0.00 H new ATOM 0 HE3 LYS D 4 0.020 4.318 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 0.556 6.661 1.262 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 1.927 5.783 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 1.057 6.691 -0.360 1.00 0.00 H new ATOM 2693 N VAL D 5 1.237 -0.882 0.366 1.00 0.00 N ATOM 2694 CA VAL D 5 1.188 -2.069 1.214 1.00 0.00 C ATOM 2695 C VAL D 5 1.846 -1.802 2.563 1.00 0.00 C ATOM 2696 O VAL D 5 2.989 -1.349 2.627 1.00 0.00 O ATOM 2697 CB VAL D 5 1.884 -3.270 0.544 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.645 -4.541 1.343 1.00 0.00 C ATOM 2699 CG2 VAL D 5 1.403 -3.436 -0.890 1.00 0.00 C ATOM 0 H VAL D 5 2.098 -0.342 0.447 1.00 0.00 H new ATOM 0 HA VAL D 5 0.135 -2.309 1.364 1.00 0.00 H new ATOM 0 HB VAL D 5 2.957 -3.077 0.523 1.00 0.00 H new ATOM 0 HG11 VAL D 5 2.144 -5.377 0.854 1.00 0.00 H new ATOM 0 HG12 VAL D 5 2.044 -4.418 2.350 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.575 -4.740 1.399 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.906 -4.289 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL D 5 0.326 -3.604 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.632 -2.534 -1.457 1.00 0.00 H new ATOM 2709 N ILE D 6 1.122 -2.088 3.644 1.00 0.00 N ATOM 2710 CA ILE D 6 1.645 -1.880 4.988 1.00 0.00 C ATOM 2711 C ILE D 6 2.161 -3.184 5.597 1.00 0.00 C ATOM 2712 O ILE D 6 1.398 -4.128 5.798 1.00 0.00 O ATOM 2713 CB ILE D 6 0.572 -1.285 5.923 1.00 0.00 C ATOM 2714 CG1 ILE D 6 -0.117 -0.094 5.255 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.196 -0.867 7.247 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -1.313 0.422 6.026 1.00 0.00 C ATOM 0 H ILE D 6 0.174 -2.463 3.613 1.00 0.00 H new ATOM 0 HA ILE D 6 2.472 -1.176 4.893 1.00 0.00 H new ATOM 0 HB ILE D 6 -0.179 -2.050 6.121 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.605 0.714 5.137 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.437 -0.384 4.254 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.426 -0.449 7.896 1.00 0.00 H new ATOM 0 HG22 ILE D 6 1.644 -1.736 7.729 1.00 0.00 H new ATOM 0 HG23 ILE D 6 1.965 -0.116 7.066 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.752 1.266 5.494 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -2.054 -0.372 6.122 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -0.995 0.744 7.018 1.00 0.00 H new ATOM 2728 N LEU D 7 3.455 -3.222 5.902 1.00 0.00 N ATOM 2729 CA LEU D 7 4.066 -4.403 6.506 1.00 0.00 C ATOM 2730 C LEU D 7 4.672 -4.044 7.860 1.00 0.00 C ATOM 2731 O LEU D 7 5.552 -3.187 7.947 1.00 0.00 O ATOM 2732 CB LEU D 7 5.144 -4.990 5.584 1.00 0.00 C ATOM 2733 CG LEU D 7 4.657 -6.095 4.639 1.00 0.00 C ATOM 2734 CD1 LEU D 7 4.279 -5.511 3.287 1.00 0.00 C ATOM 2735 CD2 LEU D 7 5.722 -7.175 4.477 1.00 0.00 C ATOM 0 H LEU D 7 4.101 -2.449 5.741 1.00 0.00 H new ATOM 0 HA LEU D 7 3.291 -5.156 6.651 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.569 -4.183 4.987 1.00 0.00 H new ATOM 0 HB3 LEU D 7 5.950 -5.389 6.200 1.00 0.00 H new ATOM 0 HG LEU D 7 3.770 -6.553 5.077 1.00 0.00 H new ATOM 0 HD11 LEU D 7 3.936 -6.309 2.629 1.00 0.00 H new ATOM 0 HD12 LEU D 7 3.481 -4.779 3.417 1.00 0.00 H new ATOM 0 HD13 LEU D 7 5.149 -5.025 2.845 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.356 -7.949 3.803 1.00 0.00 H new ATOM 0 HD22 LEU D 7 6.629 -6.733 4.064 1.00 0.00 H new ATOM 0 HD23 LEU D 7 5.944 -7.616 5.449 1.00 0.00 H new ATOM 2950 N ASP D 22 7.120 -8.645 7.502 1.00 0.00 N ATOM 2951 CA ASP D 22 8.337 -7.951 7.903 1.00 0.00 C ATOM 2952 C ASP D 22 8.893 -7.122 6.757 1.00 0.00 C ATOM 2953 O ASP D 22 8.754 -7.476 5.587 1.00 0.00 O ATOM 2954 CB ASP D 22 9.388 -8.956 8.376 1.00 0.00 C ATOM 2955 CG ASP D 22 10.634 -8.284 8.915 1.00 0.00 C ATOM 2956 OD1 ASP D 22 10.608 -7.832 10.080 1.00 0.00 O ATOM 2957 OD2 ASP D 22 11.637 -8.210 8.174 1.00 0.00 O ATOM 0 HA ASP D 22 8.088 -7.280 8.725 1.00 0.00 H new ATOM 0 HB2 ASP D 22 8.957 -9.590 9.151 1.00 0.00 H new ATOM 0 HB3 ASP D 22 9.661 -9.608 7.547 1.00 0.00 H new ATOM 2962 N ALA D 23 9.521 -6.017 7.112 1.00 0.00 N ATOM 2963 CA ALA D 23 10.110 -5.116 6.137 1.00 0.00 C ATOM 2964 C ALA D 23 11.046 -5.867 5.187 1.00 0.00 C ATOM 2965 O ALA D 23 11.027 -5.646 3.975 1.00 0.00 O ATOM 2966 CB ALA D 23 10.843 -4.012 6.874 1.00 0.00 C ATOM 0 H ALA D 23 9.638 -5.719 8.080 1.00 0.00 H new ATOM 0 HA ALA D 23 9.322 -4.678 5.524 1.00 0.00 H new ATOM 0 HB1 ALA D 23 11.290 -3.328 6.153 1.00 0.00 H new ATOM 0 HB2 ALA D 23 10.141 -3.467 7.504 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.626 -4.447 7.495 1.00 0.00 H new ATOM 2972 N ALA D 24 11.855 -6.761 5.748 1.00 0.00 N ATOM 2973 CA ALA D 24 12.789 -7.558 4.960 1.00 0.00 C ATOM 2974 C ALA D 24 12.048 -8.548 4.064 1.00 0.00 C ATOM 2975 O ALA D 24 12.518 -8.892 2.979 1.00 0.00 O ATOM 2976 CB ALA D 24 13.755 -8.294 5.876 1.00 0.00 C ATOM 0 H ALA D 24 11.882 -6.952 6.750 1.00 0.00 H new ATOM 0 HA ALA D 24 13.355 -6.882 4.319 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.447 -8.885 5.276 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.315 -7.572 6.470 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.196 -8.953 6.540 1.00 0.00 H new ATOM 2982 N THR D 25 10.887 -9.006 4.528 1.00 0.00 N ATOM 2983 CA THR D 25 10.078 -9.961 3.776 1.00 0.00 C ATOM 2984 C THR D 25 9.613 -9.352 2.456 1.00 0.00 C ATOM 2985 O THR D 25 9.591 -10.021 1.423 1.00 0.00 O ATOM 2986 CB THR D 25 8.868 -10.396 4.614 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.288 -11.072 5.785 1.00 0.00 O ATOM 2988 CG2 THR D 25 7.908 -11.309 3.881 1.00 0.00 C ATOM 0 H THR D 25 10.485 -8.730 5.424 1.00 0.00 H new ATOM 0 HA THR D 25 10.690 -10.835 3.553 1.00 0.00 H new ATOM 0 HB THR D 25 8.344 -9.470 4.850 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.503 -11.340 6.307 1.00 0.00 H new ATOM 0 HG21 THR D 25 7.081 -11.572 4.540 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.521 -10.798 2.999 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.430 -12.216 3.575 1.00 0.00 H new ATOM 2996 N PHE D 26 9.262 -8.074 2.498 1.00 0.00 N ATOM 2997 CA PHE D 26 8.815 -7.367 1.305 1.00 0.00 C ATOM 2998 C PHE D 26 9.952 -7.234 0.296 1.00 0.00 C ATOM 2999 O PHE D 26 9.775 -7.472 -0.897 1.00 0.00 O ATOM 3000 CB PHE D 26 8.275 -5.984 1.669 1.00 0.00 C ATOM 3001 CG PHE D 26 7.379 -5.402 0.615 1.00 0.00 C ATOM 3002 CD1 PHE D 26 6.088 -5.876 0.448 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.827 -4.384 -0.211 1.00 0.00 C ATOM 3004 CE1 PHE D 26 5.260 -5.347 -0.524 1.00 0.00 C ATOM 3005 CE2 PHE D 26 7.004 -3.849 -1.183 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.719 -4.331 -1.340 1.00 0.00 C ATOM 0 H PHE D 26 9.278 -7.506 3.345 1.00 0.00 H new ATOM 0 HA PHE D 26 8.013 -7.949 0.851 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.725 -6.052 2.607 1.00 0.00 H new ATOM 0 HB3 PHE D 26 9.113 -5.307 1.839 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.724 -6.669 1.085 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.831 -4.004 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE D 26 4.256 -5.727 -0.645 1.00 0.00 H new ATOM 0 HE2 PHE D 26 7.365 -3.055 -1.820 1.00 0.00 H new ATOM 0 HZ PHE D 26 5.074 -3.914 -2.099 1.00 0.00 H new ATOM 3016 N GLU D 27 11.119 -6.837 0.791 1.00 0.00 N ATOM 3017 CA GLU D 27 12.296 -6.648 -0.050 1.00 0.00 C ATOM 3018 C GLU D 27 12.647 -7.908 -0.843 1.00 0.00 C ATOM 3019 O GLU D 27 12.809 -7.857 -2.062 1.00 0.00 O ATOM 3020 CB GLU D 27 13.489 -6.231 0.816 1.00 0.00 C ATOM 3021 CG GLU D 27 14.768 -5.986 0.028 1.00 0.00 C ATOM 3022 CD GLU D 27 15.952 -6.761 0.578 1.00 0.00 C ATOM 3023 OE1 GLU D 27 16.399 -6.445 1.701 1.00 0.00 O ATOM 3024 OE2 GLU D 27 16.435 -7.679 -0.117 1.00 0.00 O ATOM 0 H GLU D 27 11.276 -6.638 1.779 1.00 0.00 H new ATOM 0 HA GLU D 27 12.064 -5.862 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.230 -5.323 1.361 1.00 0.00 H new ATOM 0 HB3 GLU D 27 13.675 -7.007 1.559 1.00 0.00 H new ATOM 0 HG2 GLU D 27 14.608 -6.266 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU D 27 14.999 -4.921 0.040 1.00 0.00 H new ATOM 3031 N LYS D 28 12.803 -9.024 -0.141 1.00 0.00 N ATOM 3032 CA LYS D 28 13.183 -10.284 -0.775 1.00 0.00 C ATOM 3033 C LYS D 28 12.094 -10.851 -1.687 1.00 0.00 C ATOM 3034 O LYS D 28 12.374 -11.232 -2.824 1.00 0.00 O ATOM 3035 CB LYS D 28 13.544 -11.319 0.292 1.00 0.00 C ATOM 3036 CG LYS D 28 14.254 -12.542 -0.264 1.00 0.00 C ATOM 3037 CD LYS D 28 14.378 -13.640 0.781 1.00 0.00 C ATOM 3038 CE LYS D 28 15.395 -13.278 1.851 1.00 0.00 C ATOM 3039 NZ LYS D 28 15.835 -14.472 2.624 1.00 0.00 N ATOM 0 H LYS D 28 12.672 -9.084 0.869 1.00 0.00 H new ATOM 0 HA LYS D 28 14.047 -10.067 -1.403 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.180 -10.849 1.042 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.634 -11.637 0.801 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.706 -12.920 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS D 28 15.246 -12.259 -0.615 1.00 0.00 H new ATOM 0 HD2 LYS D 28 13.407 -13.814 1.244 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.672 -14.572 0.298 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.261 -12.808 1.385 1.00 0.00 H new ATOM 0 HE3 LYS D 28 14.961 -12.545 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 16.528 -14.184 3.344 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 15.013 -14.906 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 16.272 -15.161 1.979 1.00 0.00 H new ATOM 3053 N VAL D 29 10.860 -10.924 -1.196 1.00 0.00 N ATOM 3054 CA VAL D 29 9.755 -11.466 -1.986 1.00 0.00 C ATOM 3055 C VAL D 29 9.451 -10.625 -3.222 1.00 0.00 C ATOM 3056 O VAL D 29 9.233 -11.163 -4.307 1.00 0.00 O ATOM 3057 CB VAL D 29 8.466 -11.587 -1.143 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.326 -12.184 -1.964 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.723 -12.415 0.106 1.00 0.00 C ATOM 0 H VAL D 29 10.599 -10.617 -0.259 1.00 0.00 H new ATOM 0 HA VAL D 29 10.081 -12.455 -2.309 1.00 0.00 H new ATOM 0 HB VAL D 29 8.166 -10.585 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.432 -12.257 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.122 -11.544 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.609 -13.178 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.805 -12.490 0.688 1.00 0.00 H new ATOM 0 HG22 VAL D 29 9.053 -13.413 -0.181 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.496 -11.936 0.707 1.00 0.00 H new ATOM 3069 N VAL D 30 9.412 -9.312 -3.048 1.00 0.00 N ATOM 3070 CA VAL D 30 9.097 -8.407 -4.147 1.00 0.00 C ATOM 3071 C VAL D 30 10.206 -8.355 -5.193 1.00 0.00 C ATOM 3072 O VAL D 30 9.934 -8.442 -6.390 1.00 0.00 O ATOM 3073 CB VAL D 30 8.789 -6.985 -3.629 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.409 -6.049 -4.768 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.678 -7.035 -2.591 1.00 0.00 C ATOM 0 H VAL D 30 9.594 -8.849 -2.158 1.00 0.00 H new ATOM 0 HA VAL D 30 8.206 -8.807 -4.630 1.00 0.00 H new ATOM 0 HB VAL D 30 9.693 -6.592 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.199 -5.057 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.233 -5.987 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.523 -6.432 -5.273 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.469 -6.027 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.778 -7.454 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.990 -7.660 -1.754 1.00 0.00 H new ATOM 3085 N LYS D 31 11.450 -8.220 -4.754 1.00 0.00 N ATOM 3086 CA LYS D 31 12.570 -8.165 -5.682 1.00 0.00 C ATOM 3087 C LYS D 31 12.698 -9.474 -6.453 1.00 0.00 C ATOM 3088 O LYS D 31 12.877 -9.476 -7.670 1.00 0.00 O ATOM 3089 CB LYS D 31 13.867 -7.875 -4.924 1.00 0.00 C ATOM 3090 CG LYS D 31 15.088 -7.760 -5.820 1.00 0.00 C ATOM 3091 CD LYS D 31 16.374 -7.970 -5.037 1.00 0.00 C ATOM 3092 CE LYS D 31 17.599 -7.826 -5.925 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.855 -8.149 -5.193 1.00 0.00 N ATOM 0 H LYS D 31 11.707 -8.147 -3.770 1.00 0.00 H new ATOM 0 HA LYS D 31 12.386 -7.361 -6.395 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.750 -6.947 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS D 31 14.036 -8.668 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS D 31 15.024 -8.497 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS D 31 15.104 -6.777 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.427 -7.247 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.367 -8.961 -4.584 1.00 0.00 H new ATOM 0 HE2 LYS D 31 17.502 -8.485 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.653 -6.807 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.668 -8.039 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 18.961 -7.504 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 18.815 -9.130 -4.850 1.00 0.00 H new ATOM 3107 N GLN D 32 12.598 -10.585 -5.736 1.00 0.00 N ATOM 3108 CA GLN D 32 12.700 -11.902 -6.352 1.00 0.00 C ATOM 3109 C GLN D 32 11.549 -12.163 -7.323 1.00 0.00 C ATOM 3110 O GLN D 32 11.757 -12.695 -8.412 1.00 0.00 O ATOM 3111 CB GLN D 32 12.729 -12.990 -5.279 1.00 0.00 C ATOM 3112 CG GLN D 32 13.120 -14.358 -5.813 1.00 0.00 C ATOM 3113 CD GLN D 32 13.475 -15.335 -4.709 1.00 0.00 C ATOM 3114 OE1 GLN D 32 12.598 -15.863 -4.025 1.00 0.00 O ATOM 3115 NE2 GLN D 32 14.768 -15.580 -4.530 1.00 0.00 N ATOM 0 H GLN D 32 12.446 -10.601 -4.727 1.00 0.00 H new ATOM 0 HA GLN D 32 13.631 -11.926 -6.919 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.431 -12.700 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.745 -13.058 -4.815 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.297 -14.763 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN D 32 13.970 -14.252 -6.486 1.00 0.00 H new ATOM 0 HE21 GLN D 32 15.461 -15.120 -5.120 1.00 0.00 H new ATOM 0 HE22 GLN D 32 15.068 -16.228 -3.802 1.00 0.00 H new ATOM 3124 N PHE D 33 10.335 -11.788 -6.925 1.00 0.00 N ATOM 3125 CA PHE D 33 9.150 -11.978 -7.756 1.00 0.00 C ATOM 3126 C PHE D 33 9.152 -11.103 -9.012 1.00 0.00 C ATOM 3127 O PHE D 33 8.883 -11.588 -10.111 1.00 0.00 O ATOM 3128 CB PHE D 33 7.898 -11.763 -6.883 1.00 0.00 C ATOM 3129 CG PHE D 33 6.641 -11.375 -7.609 1.00 0.00 C ATOM 3130 CD1 PHE D 33 6.104 -12.160 -8.615 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.978 -10.214 -7.243 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.934 -11.781 -9.254 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.811 -9.833 -7.874 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.289 -10.614 -8.883 1.00 0.00 C ATOM 0 H PHE D 33 10.147 -11.347 -6.025 1.00 0.00 H new ATOM 0 HA PHE D 33 9.149 -12.999 -8.138 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.704 -12.682 -6.330 1.00 0.00 H new ATOM 0 HB3 PHE D 33 8.122 -10.990 -6.148 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.600 -13.075 -8.904 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.381 -9.598 -6.452 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.525 -12.397 -10.042 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.308 -8.925 -7.578 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.379 -10.316 -9.383 1.00 0.00 H new ATOM 3144 N PHE D 34 9.447 -9.820 -8.853 1.00 0.00 N ATOM 3145 CA PHE D 34 9.462 -8.903 -9.988 1.00 0.00 C ATOM 3146 C PHE D 34 10.726 -9.040 -10.849 1.00 0.00 C ATOM 3147 O PHE D 34 10.666 -8.865 -12.065 1.00 0.00 O ATOM 3148 CB PHE D 34 9.240 -7.467 -9.519 1.00 0.00 C ATOM 3149 CG PHE D 34 7.796 -7.206 -9.189 1.00 0.00 C ATOM 3150 CD1 PHE D 34 6.814 -7.398 -10.149 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.414 -6.803 -7.919 1.00 0.00 C ATOM 3152 CE1 PHE D 34 5.482 -7.186 -9.853 1.00 0.00 C ATOM 3153 CE2 PHE D 34 6.079 -6.593 -7.617 1.00 0.00 C ATOM 3154 CZ PHE D 34 5.112 -6.784 -8.587 1.00 0.00 C ATOM 0 H PHE D 34 9.678 -9.391 -7.957 1.00 0.00 H new ATOM 0 HA PHE D 34 8.633 -9.180 -10.639 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.855 -7.272 -8.640 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.566 -6.776 -10.296 1.00 0.00 H new ATOM 0 HD1 PHE D 34 7.095 -7.718 -11.142 1.00 0.00 H new ATOM 0 HD2 PHE D 34 8.165 -6.651 -7.158 1.00 0.00 H new ATOM 0 HE1 PHE D 34 4.730 -7.335 -10.613 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.793 -6.280 -6.624 1.00 0.00 H new ATOM 0 HZ PHE D 34 4.071 -6.619 -8.354 1.00 0.00 H new ATOM 3164 N ASN D 35 11.862 -9.368 -10.232 1.00 0.00 N ATOM 3165 CA ASN D 35 13.108 -9.541 -10.988 1.00 0.00 C ATOM 3166 C ASN D 35 12.924 -10.540 -12.136 1.00 0.00 C ATOM 3167 O ASN D 35 13.584 -10.444 -13.170 1.00 0.00 O ATOM 3168 CB ASN D 35 14.258 -9.983 -10.072 1.00 0.00 C ATOM 3169 CG ASN D 35 14.934 -8.829 -9.341 1.00 0.00 C ATOM 3170 OD1 ASN D 35 14.196 -7.760 -9.054 1.00 0.00 O flip ATOM 3171 ND2 ASN D 35 16.127 -8.898 -9.044 1.00 0.00 N flip ATOM 0 H ASN D 35 11.948 -9.518 -9.227 1.00 0.00 H new ATOM 0 HA ASN D 35 13.367 -8.572 -11.416 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.875 -10.692 -9.338 1.00 0.00 H new ATOM 0 HB3 ASN D 35 15.003 -10.511 -10.667 1.00 0.00 H new ATOM 0 HD21 ASN D 35 16.664 -9.733 -9.279 1.00 0.00 H new ATOM 0 HD22 ASN D 35 16.579 -8.120 -8.563 1.00 0.00 H new ATOM 3178 N ASP D 36 12.012 -11.486 -11.943 1.00 0.00 N ATOM 3179 CA ASP D 36 11.704 -12.503 -12.948 1.00 0.00 C ATOM 3180 C ASP D 36 11.172 -11.882 -14.248 1.00 0.00 C ATOM 3181 O ASP D 36 11.147 -12.538 -15.288 1.00 0.00 O ATOM 3182 CB ASP D 36 10.691 -13.504 -12.392 1.00 0.00 C ATOM 3183 CG ASP D 36 11.209 -14.232 -11.167 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.397 -14.620 -11.163 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.429 -14.415 -10.209 1.00 0.00 O ATOM 0 H ASP D 36 11.464 -11.572 -11.087 1.00 0.00 H new ATOM 0 HA ASP D 36 12.633 -13.021 -13.186 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.770 -12.980 -12.137 1.00 0.00 H new ATOM 0 HB3 ASP D 36 10.441 -14.231 -13.165 1.00 0.00 H new ATOM 3190 N ASN D 37 10.739 -10.622 -14.179 1.00 0.00 N ATOM 3191 CA ASN D 37 10.203 -9.935 -15.355 1.00 0.00 C ATOM 3192 C ASN D 37 11.203 -8.929 -15.935 1.00 0.00 C ATOM 3193 O ASN D 37 11.041 -8.479 -17.071 1.00 0.00 O ATOM 3194 CB ASN D 37 8.873 -9.244 -15.026 1.00 0.00 C ATOM 3195 CG ASN D 37 9.041 -7.999 -14.177 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.704 -7.043 -14.579 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.432 -8.002 -12.997 1.00 0.00 N ATOM 0 H ASN D 37 10.749 -10.060 -13.328 1.00 0.00 H new ATOM 0 HA ASN D 37 10.022 -10.694 -16.116 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.370 -8.977 -15.955 1.00 0.00 H new ATOM 0 HB3 ASN D 37 8.225 -9.948 -14.503 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.504 -7.190 -12.384 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.892 -8.816 -12.704 1.00 0.00 H new ATOM 3204 N GLY D 38 12.241 -8.586 -15.169 1.00 0.00 N ATOM 3205 CA GLY D 38 13.240 -7.644 -15.657 1.00 0.00 C ATOM 3206 C GLY D 38 13.432 -6.438 -14.748 1.00 0.00 C ATOM 3207 O GLY D 38 13.988 -5.425 -15.172 1.00 0.00 O ATOM 0 H GLY D 38 12.407 -8.940 -14.227 1.00 0.00 H new ATOM 0 HA2 GLY D 38 14.193 -8.162 -15.767 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.948 -7.299 -16.649 1.00 0.00 H new ATOM 3211 N VAL D 39 12.981 -6.539 -13.499 1.00 0.00 N ATOM 3212 CA VAL D 39 13.118 -5.440 -12.547 1.00 0.00 C ATOM 3213 C VAL D 39 14.439 -5.535 -11.790 1.00 0.00 C ATOM 3214 O VAL D 39 14.905 -6.630 -11.474 1.00 0.00 O ATOM 3215 CB VAL D 39 11.960 -5.420 -11.532 1.00 0.00 C ATOM 3216 CG1 VAL D 39 12.017 -4.163 -10.676 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.622 -5.524 -12.248 1.00 0.00 C ATOM 0 H VAL D 39 12.519 -7.368 -13.124 1.00 0.00 H new ATOM 0 HA VAL D 39 13.095 -4.517 -13.127 1.00 0.00 H new ATOM 0 HB VAL D 39 12.065 -6.283 -10.874 1.00 0.00 H new ATOM 0 HG11 VAL D 39 11.190 -4.169 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.962 -4.135 -10.133 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.940 -3.284 -11.315 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.815 -5.508 -11.515 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.508 -4.682 -12.931 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.582 -6.456 -12.812 1.00 0.00 H new ATOM 3227 N ASP D 40 15.041 -4.385 -11.506 1.00 0.00 N ATOM 3228 CA ASP D 40 16.310 -4.346 -10.789 1.00 0.00 C ATOM 3229 C ASP D 40 16.498 -3.011 -10.072 1.00 0.00 C ATOM 3230 O ASP D 40 15.631 -2.139 -10.124 1.00 0.00 O ATOM 3231 CB ASP D 40 17.468 -4.587 -11.757 1.00 0.00 C ATOM 3232 CG ASP D 40 17.661 -6.056 -12.076 1.00 0.00 C ATOM 3233 OD1 ASP D 40 18.385 -6.737 -11.318 1.00 0.00 O ATOM 3234 OD2 ASP D 40 17.090 -6.527 -13.082 1.00 0.00 O ATOM 0 H ASP D 40 14.671 -3.469 -11.761 1.00 0.00 H new ATOM 0 HA ASP D 40 16.298 -5.136 -10.038 1.00 0.00 H new ATOM 0 HB2 ASP D 40 17.285 -4.039 -12.681 1.00 0.00 H new ATOM 0 HB3 ASP D 40 18.386 -4.188 -11.326 1.00 0.00 H new ATOM 3239 N GLY D 41 17.639 -2.862 -9.408 1.00 0.00 N ATOM 3240 CA GLY D 41 17.929 -1.634 -8.686 1.00 0.00 C ATOM 3241 C GLY D 41 18.007 -1.846 -7.186 1.00 0.00 C ATOM 3242 O GLY D 41 18.495 -2.877 -6.726 1.00 0.00 O ATOM 0 H GLY D 41 18.371 -3.571 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.874 -1.222 -9.041 1.00 0.00 H new ATOM 0 HA3 GLY D 41 17.157 -0.896 -8.906 1.00 0.00 H new ATOM 3246 N GLU D 42 17.530 -0.867 -6.421 1.00 0.00 N ATOM 3247 CA GLU D 42 17.557 -0.958 -4.965 1.00 0.00 C ATOM 3248 C GLU D 42 16.406 -0.175 -4.342 1.00 0.00 C ATOM 3249 O GLU D 42 15.851 0.735 -4.960 1.00 0.00 O ATOM 3250 CB GLU D 42 18.892 -0.440 -4.428 1.00 0.00 C ATOM 3251 CG GLU D 42 20.095 -1.212 -4.945 1.00 0.00 C ATOM 3252 CD GLU D 42 21.348 -0.953 -4.131 1.00 0.00 C ATOM 3253 OE1 GLU D 42 21.234 -0.814 -2.894 1.00 0.00 O ATOM 3254 OE2 GLU D 42 22.442 -0.889 -4.729 1.00 0.00 O ATOM 0 H GLU D 42 17.122 -0.005 -6.784 1.00 0.00 H new ATOM 0 HA GLU D 42 17.443 -2.007 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU D 42 19.001 0.610 -4.699 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.880 -0.489 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.871 -2.279 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.278 -0.939 -5.984 1.00 0.00 H new ATOM 3261 N TRP D 43 16.055 -0.536 -3.113 1.00 0.00 N ATOM 3262 CA TRP D 43 14.970 0.125 -2.395 1.00 0.00 C ATOM 3263 C TRP D 43 15.377 1.515 -1.936 1.00 0.00 C ATOM 3264 O TRP D 43 16.347 1.683 -1.195 1.00 0.00 O ATOM 3265 CB TRP D 43 14.532 -0.722 -1.201 1.00 0.00 C ATOM 3266 CG TRP D 43 13.856 -1.994 -1.606 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.433 -3.224 -1.736 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.474 -2.160 -1.945 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.495 -4.146 -2.133 1.00 0.00 N ATOM 3270 CE2 TRP D 43 12.285 -3.516 -2.268 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.380 -1.292 -2.005 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 11.045 -4.024 -2.645 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 10.149 -1.798 -2.380 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.991 -3.154 -2.696 1.00 0.00 C ATOM 0 H TRP D 43 16.508 -1.286 -2.591 1.00 0.00 H new ATOM 0 HA TRP D 43 14.130 0.232 -3.081 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.403 -0.958 -0.590 1.00 0.00 H new ATOM 0 HB3 TRP D 43 13.854 -0.139 -0.577 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.475 -3.441 -1.553 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.670 -5.137 -2.300 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.494 -0.246 -1.763 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.920 -5.069 -2.889 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.296 -1.138 -2.430 1.00 0.00 H new ATOM 0 HH2 TRP D 43 9.017 -3.520 -2.986 1.00 0.00 H new ATOM 3285 N THR D 44 14.619 2.507 -2.383 1.00 0.00 N ATOM 3286 CA THR D 44 14.879 3.890 -2.026 1.00 0.00 C ATOM 3287 C THR D 44 13.761 4.441 -1.154 1.00 0.00 C ATOM 3288 O THR D 44 12.581 4.178 -1.390 1.00 0.00 O ATOM 3289 CB THR D 44 15.027 4.746 -3.283 1.00 0.00 C ATOM 3290 OG1 THR D 44 13.802 4.816 -3.989 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.081 4.229 -4.238 1.00 0.00 C ATOM 0 H THR D 44 13.815 2.376 -2.997 1.00 0.00 H new ATOM 0 HA THR D 44 15.811 3.924 -1.461 1.00 0.00 H new ATOM 0 HB THR D 44 15.334 5.730 -2.928 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.188 4.133 -3.647 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.135 4.882 -5.109 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.049 4.212 -3.737 1.00 0.00 H new ATOM 0 HG23 THR D 44 15.819 3.220 -4.557 1.00 0.00 H new ATOM 3299 N TYR D 45 14.146 5.222 -0.160 1.00 0.00 N ATOM 3300 CA TYR D 45 13.189 5.837 0.749 1.00 0.00 C ATOM 3301 C TYR D 45 12.405 6.935 0.039 1.00 0.00 C ATOM 3302 O TYR D 45 12.936 7.623 -0.833 1.00 0.00 O ATOM 3303 CB TYR D 45 13.905 6.411 1.972 1.00 0.00 C ATOM 3304 CG TYR D 45 14.242 5.372 3.017 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.301 4.987 3.964 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.496 4.778 3.058 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.602 4.038 4.922 1.00 0.00 C ATOM 3308 CE2 TYR D 45 15.805 3.828 4.012 1.00 0.00 C ATOM 3309 CZ TYR D 45 14.855 3.462 4.942 1.00 0.00 C ATOM 3310 OH TYR D 45 15.158 2.517 5.895 1.00 0.00 O ATOM 0 H TYR D 45 15.120 5.448 0.041 1.00 0.00 H new ATOM 0 HA TYR D 45 12.491 5.068 1.080 1.00 0.00 H new ATOM 0 HB2 TYR D 45 14.824 6.901 1.649 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.277 7.179 2.424 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.319 5.437 3.951 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.243 5.063 2.332 1.00 0.00 H new ATOM 0 HE1 TYR D 45 12.860 3.749 5.651 1.00 0.00 H new ATOM 0 HE2 TYR D 45 16.785 3.375 4.029 1.00 0.00 H new ATOM 0 HH TYR D 45 16.080 2.210 5.770 1.00 0.00 H new ATOM 3320 N ASP D 46 11.141 7.097 0.416 1.00 0.00 N ATOM 3321 CA ASP D 46 10.293 8.115 -0.192 1.00 0.00 C ATOM 3322 C ASP D 46 10.703 9.510 0.271 1.00 0.00 C ATOM 3323 O ASP D 46 11.327 9.667 1.320 1.00 0.00 O ATOM 3324 CB ASP D 46 8.826 7.868 0.164 1.00 0.00 C ATOM 3325 CG ASP D 46 8.192 6.796 -0.698 1.00 0.00 C ATOM 3326 OD1 ASP D 46 8.327 5.602 -0.357 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.558 7.149 -1.715 1.00 0.00 O ATOM 0 H ASP D 46 10.683 6.539 1.137 1.00 0.00 H new ATOM 0 HA ASP D 46 10.416 8.053 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP D 46 8.754 7.577 1.212 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.267 8.797 0.052 1.00 0.00 H new ATOM 3332 N ASP D 47 10.354 10.519 -0.520 1.00 0.00 N ATOM 3333 CA ASP D 47 10.690 11.901 -0.189 1.00 0.00 C ATOM 3334 C ASP D 47 9.938 12.359 1.057 1.00 0.00 C ATOM 3335 O ASP D 47 8.731 12.149 1.177 1.00 0.00 O ATOM 3336 CB ASP D 47 10.360 12.825 -1.362 1.00 0.00 C ATOM 3337 CG ASP D 47 11.366 12.712 -2.491 1.00 0.00 C ATOM 3338 OD1 ASP D 47 11.965 11.627 -2.646 1.00 0.00 O ATOM 3339 OD2 ASP D 47 11.555 13.709 -3.220 1.00 0.00 O ATOM 0 H ASP D 47 9.839 10.407 -1.394 1.00 0.00 H new ATOM 0 HA ASP D 47 11.760 11.949 0.013 1.00 0.00 H new ATOM 0 HB2 ASP D 47 9.366 12.586 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP D 47 10.328 13.856 -1.010 1.00 0.00 H new ATOM 3344 N ALA D 48 10.662 12.977 1.986 1.00 0.00 N ATOM 3345 CA ALA D 48 10.068 13.460 3.230 1.00 0.00 C ATOM 3346 C ALA D 48 8.911 14.417 2.963 1.00 0.00 C ATOM 3347 O ALA D 48 8.963 15.234 2.044 1.00 0.00 O ATOM 3348 CB ALA D 48 11.127 14.136 4.087 1.00 0.00 C ATOM 0 H ALA D 48 11.663 13.156 1.901 1.00 0.00 H new ATOM 0 HA ALA D 48 9.669 12.600 3.767 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.674 14.492 5.012 1.00 0.00 H new ATOM 0 HB2 ALA D 48 11.916 13.421 4.321 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.552 14.979 3.543 1.00 0.00 H new ATOM 3354 N THR D 49 7.872 14.312 3.783 1.00 0.00 N ATOM 3355 CA THR D 49 6.696 15.164 3.651 1.00 0.00 C ATOM 3356 C THR D 49 6.210 15.622 5.021 1.00 0.00 C ATOM 3357 O THR D 49 6.486 14.980 6.034 1.00 0.00 O ATOM 3358 CB THR D 49 5.580 14.422 2.917 1.00 0.00 C ATOM 3359 OG1 THR D 49 6.055 13.881 1.697 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.389 15.299 2.597 1.00 0.00 C ATOM 0 H THR D 49 7.820 13.642 4.550 1.00 0.00 H new ATOM 0 HA THR D 49 6.973 16.043 3.069 1.00 0.00 H new ATOM 0 HB THR D 49 5.259 13.635 3.599 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.326 13.409 1.243 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.633 14.711 2.076 1.00 0.00 H new ATOM 0 HG22 THR D 49 3.968 15.693 3.522 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.706 16.126 1.962 1.00 0.00 H new ATOM 3368 N LYS D 50 5.489 16.739 5.050 1.00 0.00 N ATOM 3369 CA LYS D 50 4.974 17.279 6.302 1.00 0.00 C ATOM 3370 C LYS D 50 3.448 17.247 6.330 1.00 0.00 C ATOM 3371 O LYS D 50 2.791 17.386 5.299 1.00 0.00 O ATOM 3372 CB LYS D 50 5.468 18.714 6.504 1.00 0.00 C ATOM 3373 CG LYS D 50 6.952 18.891 6.229 1.00 0.00 C ATOM 3374 CD LYS D 50 7.540 20.028 7.050 1.00 0.00 C ATOM 3375 CE LYS D 50 8.987 20.298 6.670 1.00 0.00 C ATOM 3376 NZ LYS D 50 9.742 20.946 7.778 1.00 0.00 N ATOM 0 H LYS D 50 5.249 17.286 4.223 1.00 0.00 H new ATOM 0 HA LYS D 50 5.345 16.654 7.114 1.00 0.00 H new ATOM 0 HB2 LYS D 50 4.904 19.379 5.850 1.00 0.00 H new ATOM 0 HB3 LYS D 50 5.258 19.021 7.529 1.00 0.00 H new ATOM 0 HG2 LYS D 50 7.479 17.965 6.459 1.00 0.00 H new ATOM 0 HG3 LYS D 50 7.105 19.090 5.168 1.00 0.00 H new ATOM 0 HD2 LYS D 50 6.948 20.931 6.899 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.481 19.781 8.110 1.00 0.00 H new ATOM 0 HE2 LYS D 50 9.472 19.360 6.400 1.00 0.00 H new ATOM 0 HE3 LYS D 50 9.017 20.938 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 10.724 21.113 7.478 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 9.295 21.853 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 9.736 20.325 8.612 1.00 0.00 H new ATOM 3390 N THR D 51 2.895 17.064 7.525 1.00 0.00 N ATOM 3391 CA THR D 51 1.449 17.010 7.709 1.00 0.00 C ATOM 3392 C THR D 51 1.060 17.719 9.008 1.00 0.00 C ATOM 3393 O THR D 51 1.622 17.446 10.069 1.00 0.00 O ATOM 3394 CB THR D 51 0.971 15.547 7.701 1.00 0.00 C ATOM 3395 OG1 THR D 51 1.044 15.005 6.392 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.454 15.355 8.183 1.00 0.00 C ATOM 0 H THR D 51 3.431 16.950 8.385 1.00 0.00 H new ATOM 0 HA THR D 51 0.959 17.527 6.884 1.00 0.00 H new ATOM 0 HB THR D 51 1.639 15.036 8.394 1.00 0.00 H new ATOM 0 HG1 THR D 51 1.195 14.038 6.446 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.711 14.296 8.146 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.543 15.714 9.208 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.134 15.916 7.542 1.00 0.00 H new ATOM 3404 N PHE D 52 0.102 18.638 8.913 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.358 19.395 10.076 1.00 0.00 C ATOM 3406 C PHE D 52 -1.368 18.597 10.896 1.00 0.00 C ATOM 3407 O PHE D 52 -2.445 18.257 10.407 1.00 0.00 O ATOM 3408 CB PHE D 52 -0.981 20.719 9.632 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.357 21.621 10.773 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.443 22.527 11.287 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.625 21.564 11.328 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.788 23.360 12.335 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -2.975 22.393 12.377 1.00 0.00 C ATOM 3414 CZ PHE D 52 -2.055 23.293 12.880 1.00 0.00 C ATOM 0 H PHE D 52 -0.372 18.877 8.042 1.00 0.00 H new ATOM 0 HA PHE D 52 0.509 19.596 10.706 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.278 21.242 8.983 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -1.870 20.511 9.037 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.549 22.583 10.864 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.348 20.864 10.937 1.00 0.00 H new ATOM 0 HE1 PHE D 52 -0.067 24.062 12.727 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -3.966 22.337 12.803 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.327 23.943 13.698 1.00 0.00 H new ATOM 3424 N THR D 53 -1.023 18.317 12.148 1.00 0.00 N ATOM 3425 CA THR D 53 -1.913 17.576 13.034 1.00 0.00 C ATOM 3426 C THR D 53 -2.720 18.541 13.897 1.00 0.00 C ATOM 3427 O THR D 53 -2.157 19.406 14.569 1.00 0.00 O ATOM 3428 CB THR D 53 -1.116 16.617 13.920 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.360 15.718 13.129 1.00 0.00 O ATOM 3430 CG2 THR D 53 -1.985 15.790 14.845 1.00 0.00 C ATOM 0 H THR D 53 -0.136 18.591 12.571 1.00 0.00 H new ATOM 0 HA THR D 53 -2.599 16.991 12.422 1.00 0.00 H new ATOM 0 HB THR D 53 -0.471 17.254 14.526 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.255 16.223 12.557 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.355 15.132 15.444 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.548 16.452 15.503 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.677 15.190 14.254 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.042 18.396 13.869 1.00 0.00 N ATOM 3439 CA VAL D 54 -4.918 19.267 14.647 1.00 0.00 C ATOM 3440 C VAL D 54 -4.813 18.966 16.137 1.00 0.00 C ATOM 3441 O VAL D 54 -4.453 17.858 16.533 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.396 19.129 14.221 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.213 20.292 14.762 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.523 19.042 12.707 1.00 0.00 C ATOM 0 H VAL D 54 -4.528 17.688 13.319 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.586 20.287 14.452 1.00 0.00 H new ATOM 0 HB VAL D 54 -6.787 18.203 14.643 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.253 20.181 14.454 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.156 20.301 15.850 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -6.816 21.229 14.370 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.574 18.945 12.435 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.113 19.945 12.255 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -5.973 18.173 12.345 1.00 0.00 H new ATOM 3454 N THR D 55 -5.134 19.960 16.960 1.00 0.00 N ATOM 3455 CA THR D 55 -5.077 19.796 18.409 1.00 0.00 C ATOM 3456 C THR D 55 -6.216 20.546 19.097 1.00 0.00 C ATOM 3457 O THR D 55 -7.191 19.937 19.539 1.00 0.00 O ATOM 3458 CB THR D 55 -3.726 20.270 18.950 1.00 0.00 C ATOM 3459 OG1 THR D 55 -2.664 19.591 18.303 1.00 0.00 O ATOM 3460 CG2 THR D 55 -3.569 20.049 20.439 1.00 0.00 C ATOM 0 H THR D 55 -5.435 20.884 16.650 1.00 0.00 H new ATOM 0 HA THR D 55 -5.191 18.734 18.629 1.00 0.00 H new ATOM 0 HB THR D 55 -3.692 21.341 18.751 1.00 0.00 H new ATOM 0 HG1 THR D 55 -1.827 19.760 18.783 1.00 0.00 H new ATOM 0 HG21 THR D 55 -2.590 20.406 20.759 1.00 0.00 H new ATOM 0 HG22 THR D 55 -4.347 20.596 20.972 1.00 0.00 H new ATOM 0 HG23 THR D 55 -3.657 18.985 20.660 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.087 21.864 19.188 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.107 22.694 19.825 1.00 0.00 C ATOM 3470 C GLU D 56 -6.711 24.167 19.789 1.00 0.00 C ATOM 3471 O GLU D 56 -5.620 24.498 20.300 1.00 0.00 O ATOM 3472 CB GLU D 56 -7.329 22.255 21.274 1.00 0.00 C ATOM 3473 CG GLU D 56 -6.041 22.112 22.065 1.00 0.00 C ATOM 3474 CD GLU D 56 -6.237 21.370 23.372 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -6.577 22.023 24.380 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -6.051 20.134 23.387 1.00 0.00 O ATOM 3477 OXT GLU D 56 -7.496 24.977 19.254 1.00 0.00 O ATOM 0 H GLU D 56 -5.286 22.383 18.829 1.00 0.00 H new ATOM 0 HA GLU D 56 -8.035 22.568 19.268 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -7.973 22.980 21.771 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -7.858 21.302 21.280 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -5.304 21.584 21.459 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -5.634 23.102 22.271 1.00 0.00 H new