USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=52 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 -13:sc= 1.77 USER MOD Set 1.2: D 53 THR OG1 : rot 54:sc= -1.05 USER MOD Set 2.1: A 3 TYR OH : rot -79:sc= -3.99! USER MOD Set 2.2: D 50 LYS NZ :NH3+ -109:sc= 0.0828 (180deg=0) USER MOD Set 3.1: B 3 TYR OH : rot -39:sc= -4.63! USER MOD Set 3.2: C 50 LYS NZ :NH3+ -109:sc= 0.0938 (180deg=0) USER MOD Set 4.1: B 2 GLN : amide:sc= -0.412 K(o=-0.41,f=-0.96) USER MOD Set 4.2: C 49 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: B 53 THR OG1 : rot 53:sc= -1.32 USER MOD Set 5.2: D 44 THR OG1 : rot 8:sc= 1.7 USER MOD Set 6.1: B 50 LYS NZ :NH3+ -109:sc= 0.0942 (180deg=0) USER MOD Set 6.2: C 3 TYR OH : rot -39:sc= -4.63! USER MOD Set 7.1: B 49 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: C 2 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.9) USER MOD Set 8.1: A 53 THR OG1 : rot 54:sc= -1.02 USER MOD Set 8.2: C 44 THR OG1 : rot 7:sc= 1.64 USER MOD Set 9.1: A 50 LYS NZ :NH3+ -108:sc= 0.0962 (180deg=0) USER MOD Set 9.2: D 3 TYR OH : rot -39:sc= -4.47! USER MOD Set10.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set10.2: D 2 GLN : amide:sc= -0.353 K(o=-0.35,f=-0.89) USER MOD Set11.1: A 44 THR OG1 : rot -15:sc= 1.64 USER MOD Set11.2: C 53 THR OG1 : rot 57:sc= -0.983 USER MOD Set12.1: A 2 GLN : amide:sc= -0.374 K(o=-0.37,f=-0.92) USER MOD Set12.2: D 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 175:sc= -2.47 (180deg=-2.67) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.23 (180deg=1.2) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= 1.29 (180deg=0.646) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.11 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=-0.087) USER MOD Single : A 35 ASN :FLIP amide:sc= -2.75 F(o=-4.7,f=-2.7) USER MOD Single : A 37 ASN : amide:sc= -7.63! C(o=-7.6!,f=-15!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 143:sc= -2.08! USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.107 USER MOD Single : B 1 MET CE :methyl 173:sc= -2.47 (180deg=-2.71) USER MOD Single : B 1 MET N :NH3+ -171:sc= 1.22 (180deg=1.14) USER MOD Single : B 4 LYS NZ :NH3+ 165:sc= 1.27 (180deg=0.554) USER MOD Single : B 25 THR OG1 : rot 180:sc= -1.07 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=-0.00132 X(o=-0.0013,f=-0.097) USER MOD Single : B 35 ASN :FLIP amide:sc= -2.96 F(o=-4.8,f=-3) USER MOD Single : B 37 ASN : amide:sc= -7.62! C(o=-7.6!,f=-14!) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 38:sc= -1.94! USER MOD Single : B 55 THR OG1 : rot -170:sc= -0.157 USER MOD Single : C 1 MET CE :methyl 173:sc= -2.33 (180deg=-2.53) USER MOD Single : C 1 MET N :NH3+ -164:sc= 1.25 (180deg=1.06) USER MOD Single : C 4 LYS NZ :NH3+ 129:sc= 1.23 (180deg=0.51) USER MOD Single : C 25 THR OG1 : rot 180:sc= -1.09 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=-0.11) USER MOD Single : C 35 ASN :FLIP amide:sc= -2.84 F(o=-4.7,f=-2.8) USER MOD Single : C 37 ASN : amide:sc= -7.73! C(o=-7.7!,f=-15!) USER MOD Single : C 45 TYR OH : rot 180:sc=-0.00733 USER MOD Single : C 51 THR OG1 : rot -179:sc= -2.58 USER MOD Single : C 55 THR OG1 : rot 180:sc= -0.118 USER MOD Single : D 1 MET CE :methyl 175:sc= -2.39 (180deg=-2.54) USER MOD Single : D 1 MET N :NH3+ -175:sc= 1.18 (180deg=1.05) USER MOD Single : D 4 LYS NZ :NH3+ 136:sc= 1.26 (180deg=0.613) USER MOD Single : D 25 THR OG1 : rot 180:sc= -1.09 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=-0.12) USER MOD Single : D 35 ASN :FLIP amide:sc= -2.81 F(o=-4.7,f=-2.8) USER MOD Single : D 37 ASN : amide:sc= -7.58! C(o=-7.6!,f=-14!) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 39:sc= -2.14! USER MOD Single : D 55 THR OG1 : rot -170:sc= -0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.310 21.075 -0.218 1.00 0.00 N ATOM 2 CA MET A 1 9.626 20.185 0.758 1.00 0.00 C ATOM 3 C MET A 1 8.151 20.021 0.412 1.00 0.00 C ATOM 4 O MET A 1 7.488 20.978 0.019 1.00 0.00 O ATOM 5 CB MET A 1 9.782 20.785 2.157 1.00 0.00 C ATOM 6 CG MET A 1 11.043 20.332 2.876 1.00 0.00 C ATOM 7 SD MET A 1 10.728 19.047 4.101 1.00 0.00 S ATOM 8 CE MET A 1 9.692 17.928 3.161 1.00 0.00 C ATOM 0 H1 MET A 1 11.316 21.155 0.032 1.00 0.00 H new ATOM 0 H2 MET A 1 10.221 20.675 -1.174 1.00 0.00 H new ATOM 0 H3 MET A 1 9.871 22.018 -0.195 1.00 0.00 H new ATOM 0 HA MET A 1 10.081 19.195 0.723 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.789 21.872 2.078 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.914 20.515 2.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.760 19.961 2.143 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.504 21.190 3.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.487 17.037 3.754 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.753 18.423 2.913 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.205 17.642 2.243 1.00 0.00 H new ATOM 20 N GLN A 2 7.645 18.803 0.573 1.00 0.00 N ATOM 21 CA GLN A 2 6.244 18.513 0.280 1.00 0.00 C ATOM 22 C GLN A 2 5.381 18.737 1.516 1.00 0.00 C ATOM 23 O GLN A 2 5.626 18.151 2.569 1.00 0.00 O ATOM 24 CB GLN A 2 6.090 17.074 -0.214 1.00 0.00 C ATOM 25 CG GLN A 2 4.824 16.841 -1.021 1.00 0.00 C ATOM 26 CD GLN A 2 4.881 15.567 -1.841 1.00 0.00 C ATOM 27 OE1 GLN A 2 4.838 15.604 -3.071 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.979 14.430 -1.162 1.00 0.00 N ATOM 0 H GLN A 2 8.182 18.001 0.904 1.00 0.00 H new ATOM 0 HA GLN A 2 5.911 19.192 -0.505 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.954 16.814 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.093 16.402 0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.970 16.796 -0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.660 17.689 -1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.012 14.446 -0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.022 13.541 -1.660 1.00 0.00 H new ATOM 37 N TYR A 3 4.376 19.599 1.382 1.00 0.00 N ATOM 38 CA TYR A 3 3.487 19.907 2.496 1.00 0.00 C ATOM 39 C TYR A 3 2.080 19.358 2.276 1.00 0.00 C ATOM 40 O TYR A 3 1.488 19.521 1.207 1.00 0.00 O ATOM 41 CB TYR A 3 3.432 21.417 2.728 1.00 0.00 C ATOM 42 CG TYR A 3 4.609 21.946 3.515 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.672 21.783 4.894 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.657 22.602 2.884 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.746 22.261 5.620 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.735 23.083 3.604 1.00 0.00 C ATOM 47 CZ TYR A 3 6.774 22.909 4.971 1.00 0.00 C ATOM 48 OH TYR A 3 7.846 23.385 5.691 1.00 0.00 O ATOM 0 H TYR A 3 4.159 20.094 0.517 1.00 0.00 H new ATOM 0 HA TYR A 3 3.895 19.419 3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.391 21.924 1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.511 21.663 3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.869 21.275 5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.630 22.739 1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.779 22.127 6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.542 23.592 3.098 1.00 0.00 H new ATOM 0 HH TYR A 3 7.598 24.225 6.130 1.00 0.00 H new ATOM 58 N LYS A 4 1.564 18.706 3.313 1.00 0.00 N ATOM 59 CA LYS A 4 0.230 18.118 3.272 1.00 0.00 C ATOM 60 C LYS A 4 -0.754 18.934 4.106 1.00 0.00 C ATOM 61 O LYS A 4 -0.493 19.245 5.268 1.00 0.00 O ATOM 62 CB LYS A 4 0.270 16.672 3.773 1.00 0.00 C ATOM 63 CG LYS A 4 0.454 15.652 2.661 1.00 0.00 C ATOM 64 CD LYS A 4 0.878 14.299 3.210 1.00 0.00 C ATOM 65 CE LYS A 4 -0.324 13.418 3.509 1.00 0.00 C ATOM 66 NZ LYS A 4 0.077 12.125 4.129 1.00 0.00 N ATOM 0 H LYS A 4 2.053 18.571 4.198 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.110 18.126 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.083 16.567 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.656 16.454 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.478 15.545 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.204 16.011 1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.526 13.800 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.462 14.441 4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.004 13.946 4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.871 13.224 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.725 11.732 4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.359 11.456 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.877 12.283 4.774 1.00 0.00 H new ATOM 80 N VAL A 5 -1.889 19.277 3.502 1.00 0.00 N ATOM 81 CA VAL A 5 -2.919 20.053 4.184 1.00 0.00 C ATOM 82 C VAL A 5 -4.311 19.575 3.786 1.00 0.00 C ATOM 83 O VAL A 5 -4.653 19.554 2.604 1.00 0.00 O ATOM 84 CB VAL A 5 -2.795 21.557 3.870 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.745 22.366 4.739 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.360 22.026 4.056 1.00 0.00 C ATOM 0 H VAL A 5 -2.118 19.029 2.540 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.774 19.903 5.254 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.072 21.714 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.642 23.425 4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.771 22.050 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.504 22.204 5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.293 23.090 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.052 21.854 5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.706 21.470 3.384 1.00 0.00 H new ATOM 96 N ILE A 6 -5.109 19.185 4.775 1.00 0.00 N ATOM 97 CA ILE A 6 -6.462 18.703 4.518 1.00 0.00 C ATOM 98 C ILE A 6 -7.497 19.811 4.700 1.00 0.00 C ATOM 99 O ILE A 6 -7.677 20.331 5.801 1.00 0.00 O ATOM 100 CB ILE A 6 -6.819 17.523 5.444 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.723 16.457 5.395 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.162 16.922 5.052 1.00 0.00 C ATOM 103 CD1 ILE A 6 -5.760 15.498 6.566 1.00 0.00 C ATOM 0 H ILE A 6 -4.843 19.193 5.760 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.483 18.367 3.481 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.895 17.897 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.819 15.891 4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.750 16.948 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.397 16.091 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.939 17.682 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.113 16.562 4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.955 14.770 6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.633 16.053 7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.719 14.979 6.581 1.00 0.00 H new ATOM 115 N LEU A 7 -8.193 20.150 3.618 1.00 0.00 N ATOM 116 CA LEU A 7 -9.230 21.177 3.663 1.00 0.00 C ATOM 117 C LEU A 7 -10.605 20.518 3.594 1.00 0.00 C ATOM 118 O LEU A 7 -10.901 19.784 2.651 1.00 0.00 O ATOM 119 CB LEU A 7 -9.058 22.175 2.509 1.00 0.00 C ATOM 120 CG LEU A 7 -8.261 23.442 2.856 1.00 0.00 C ATOM 121 CD1 LEU A 7 -6.820 23.311 2.389 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.912 24.678 2.243 1.00 0.00 C ATOM 0 H LEU A 7 -8.058 19.728 2.699 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.141 21.726 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.562 21.668 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.046 22.471 2.155 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.264 23.559 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.271 24.218 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.355 22.456 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.799 23.165 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.330 25.562 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.946 24.571 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.926 24.785 2.629 1.00 0.00 H new ATOM 337 N ASP A 22 -13.007 25.380 2.365 1.00 0.00 N ATOM 338 CA ASP A 22 -13.399 24.920 1.035 1.00 0.00 C ATOM 339 C ASP A 22 -12.189 24.625 0.159 1.00 0.00 C ATOM 340 O ASP A 22 -11.219 25.374 0.142 1.00 0.00 O ATOM 341 CB ASP A 22 -14.269 25.982 0.367 1.00 0.00 C ATOM 342 CG ASP A 22 -14.908 25.487 -0.915 1.00 0.00 C ATOM 343 OD1 ASP A 22 -14.226 25.497 -1.961 1.00 0.00 O ATOM 344 OD2 ASP A 22 -16.092 25.089 -0.873 1.00 0.00 O ATOM 0 HA ASP A 22 -13.959 23.992 1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -15.049 26.296 1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.662 26.861 0.151 1.00 0.00 H new ATOM 349 N ALA A 23 -12.266 23.522 -0.572 1.00 0.00 N ATOM 350 CA ALA A 23 -11.192 23.104 -1.466 1.00 0.00 C ATOM 351 C ALA A 23 -10.657 24.274 -2.302 1.00 0.00 C ATOM 352 O ALA A 23 -9.444 24.446 -2.448 1.00 0.00 O ATOM 353 CB ALA A 23 -11.709 21.988 -2.355 1.00 0.00 C ATOM 0 H ALA A 23 -13.069 22.894 -0.564 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.354 22.743 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.917 21.664 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.025 21.148 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.557 22.350 -2.937 1.00 0.00 H new ATOM 359 N ALA A 24 -11.569 25.080 -2.841 1.00 0.00 N ATOM 360 CA ALA A 24 -11.198 26.238 -3.650 1.00 0.00 C ATOM 361 C ALA A 24 -10.488 27.302 -2.812 1.00 0.00 C ATOM 362 O ALA A 24 -9.721 28.108 -3.339 1.00 0.00 O ATOM 363 CB ALA A 24 -12.431 26.827 -4.322 1.00 0.00 C ATOM 0 H ALA A 24 -12.575 24.951 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.501 25.901 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.141 27.690 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.889 26.075 -4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.146 27.138 -3.561 1.00 0.00 H new ATOM 369 N THR A 25 -10.747 27.298 -1.504 1.00 0.00 N ATOM 370 CA THR A 25 -10.132 28.260 -0.593 1.00 0.00 C ATOM 371 C THR A 25 -8.614 28.114 -0.612 1.00 0.00 C ATOM 372 O THR A 25 -7.881 29.102 -0.612 1.00 0.00 O ATOM 373 CB THR A 25 -10.663 28.040 0.829 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.066 28.219 0.874 1.00 0.00 O ATOM 375 CG2 THR A 25 -10.058 28.957 1.862 1.00 0.00 C ATOM 0 H THR A 25 -11.380 26.638 -1.052 1.00 0.00 H new ATOM 0 HA THR A 25 -10.388 29.268 -0.920 1.00 0.00 H new ATOM 0 HB THR A 25 -10.379 27.017 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.385 28.073 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.487 28.737 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.979 28.805 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.270 29.993 1.598 1.00 0.00 H new ATOM 383 N PHE A 26 -8.159 26.870 -0.661 1.00 0.00 N ATOM 384 CA PHE A 26 -6.732 26.586 -0.714 1.00 0.00 C ATOM 385 C PHE A 26 -6.152 27.022 -2.055 1.00 0.00 C ATOM 386 O PHE A 26 -5.106 27.666 -2.114 1.00 0.00 O ATOM 387 CB PHE A 26 -6.463 25.099 -0.489 1.00 0.00 C ATOM 388 CG PHE A 26 -5.024 24.802 -0.172 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.446 25.281 0.993 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.249 24.053 -1.042 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.121 25.017 1.285 1.00 0.00 C ATOM 392 CE2 PHE A 26 -2.924 23.785 -0.754 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.359 24.267 0.410 1.00 0.00 C ATOM 0 H PHE A 26 -8.756 26.043 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.247 27.150 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.090 24.742 0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.755 24.544 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.038 25.867 1.681 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.685 23.674 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.682 25.396 2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.330 23.198 -1.440 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.324 24.058 0.636 1.00 0.00 H new ATOM 403 N GLU A 27 -6.838 26.650 -3.131 1.00 0.00 N ATOM 404 CA GLU A 27 -6.396 26.979 -4.484 1.00 0.00 C ATOM 405 C GLU A 27 -6.177 28.479 -4.669 1.00 0.00 C ATOM 406 O GLU A 27 -5.123 28.905 -5.142 1.00 0.00 O ATOM 407 CB GLU A 27 -7.417 26.474 -5.506 1.00 0.00 C ATOM 408 CG GLU A 27 -7.582 24.963 -5.504 1.00 0.00 C ATOM 409 CD GLU A 27 -8.820 24.511 -6.253 1.00 0.00 C ATOM 410 OE1 GLU A 27 -8.976 24.895 -7.430 1.00 0.00 O ATOM 411 OE2 GLU A 27 -9.636 23.773 -5.661 1.00 0.00 O ATOM 0 H GLU A 27 -7.707 26.118 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.438 26.484 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.382 26.937 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.113 26.797 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.702 24.504 -5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.635 24.608 -4.475 1.00 0.00 H new ATOM 418 N LYS A 28 -7.185 29.274 -4.328 1.00 0.00 N ATOM 419 CA LYS A 28 -7.105 30.723 -4.493 1.00 0.00 C ATOM 420 C LYS A 28 -6.078 31.361 -3.558 1.00 0.00 C ATOM 421 O LYS A 28 -5.260 32.171 -3.993 1.00 0.00 O ATOM 422 CB LYS A 28 -8.478 31.356 -4.259 1.00 0.00 C ATOM 423 CG LYS A 28 -8.565 32.805 -4.711 1.00 0.00 C ATOM 424 CD LYS A 28 -9.910 33.420 -4.359 1.00 0.00 C ATOM 425 CE LYS A 28 -10.998 32.968 -5.319 1.00 0.00 C ATOM 426 NZ LYS A 28 -12.232 33.791 -5.187 1.00 0.00 N ATOM 0 H LYS A 28 -8.066 28.942 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.778 30.911 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.232 30.773 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.718 31.300 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.767 33.381 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.409 32.861 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.183 33.142 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.831 34.507 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.628 33.030 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.237 31.922 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.950 33.451 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.600 33.712 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.009 34.786 -5.393 1.00 0.00 H new ATOM 440 N VAL A 29 -6.122 31.006 -2.278 1.00 0.00 N ATOM 441 CA VAL A 29 -5.191 31.565 -1.300 1.00 0.00 C ATOM 442 C VAL A 29 -3.742 31.186 -1.601 1.00 0.00 C ATOM 443 O VAL A 29 -2.842 32.015 -1.483 1.00 0.00 O ATOM 444 CB VAL A 29 -5.539 31.110 0.135 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.570 31.709 1.152 1.00 0.00 C ATOM 446 CG2 VAL A 29 -6.974 31.484 0.476 1.00 0.00 C ATOM 0 H VAL A 29 -6.789 30.337 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.292 32.648 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.442 30.025 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.839 31.372 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.555 31.387 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.624 32.797 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.204 31.157 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.094 32.565 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.653 30.998 -0.225 1.00 0.00 H new ATOM 456 N VAL A 30 -3.520 29.932 -1.980 1.00 0.00 N ATOM 457 CA VAL A 30 -2.172 29.458 -2.273 1.00 0.00 C ATOM 458 C VAL A 30 -1.621 30.071 -3.557 1.00 0.00 C ATOM 459 O VAL A 30 -0.482 30.538 -3.583 1.00 0.00 O ATOM 460 CB VAL A 30 -2.116 27.915 -2.356 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.704 27.427 -2.661 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.619 27.300 -1.058 1.00 0.00 C ATOM 0 H VAL A 30 -4.251 29.229 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.543 29.782 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.763 27.598 -3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.699 26.338 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.376 27.837 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.027 27.756 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.575 26.213 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.994 27.635 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.649 27.610 -0.884 1.00 0.00 H new ATOM 472 N LYS A 31 -2.421 30.086 -4.616 1.00 0.00 N ATOM 473 CA LYS A 31 -1.980 30.660 -5.879 1.00 0.00 C ATOM 474 C LYS A 31 -1.708 32.150 -5.719 1.00 0.00 C ATOM 475 O LYS A 31 -0.687 32.660 -6.176 1.00 0.00 O ATOM 476 CB LYS A 31 -3.039 30.432 -6.962 1.00 0.00 C ATOM 477 CG LYS A 31 -2.653 30.989 -8.323 1.00 0.00 C ATOM 478 CD LYS A 31 -3.879 31.263 -9.179 1.00 0.00 C ATOM 479 CE LYS A 31 -3.511 31.432 -10.643 1.00 0.00 C ATOM 480 NZ LYS A 31 -4.715 31.617 -11.501 1.00 0.00 N ATOM 0 H LYS A 31 -3.369 29.711 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.056 30.167 -6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.224 29.362 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.975 30.891 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.085 31.910 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.000 30.282 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.588 30.442 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.379 32.164 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.850 32.292 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.955 30.557 -10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.421 31.729 -12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.334 30.785 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.232 32.466 -11.195 1.00 0.00 H new ATOM 494 N GLN A 32 -2.623 32.841 -5.053 1.00 0.00 N ATOM 495 CA GLN A 32 -2.477 34.270 -4.822 1.00 0.00 C ATOM 496 C GLN A 32 -1.246 34.567 -3.970 1.00 0.00 C ATOM 497 O GLN A 32 -0.467 35.466 -4.286 1.00 0.00 O ATOM 498 CB GLN A 32 -3.727 34.831 -4.146 1.00 0.00 C ATOM 499 CG GLN A 32 -3.707 36.342 -3.988 1.00 0.00 C ATOM 500 CD GLN A 32 -4.083 37.066 -5.265 1.00 0.00 C ATOM 501 OE1 GLN A 32 -5.135 36.809 -5.852 1.00 0.00 O ATOM 502 NE2 GLN A 32 -3.223 37.978 -5.704 1.00 0.00 N ATOM 0 H GLN A 32 -3.474 32.435 -4.664 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.348 34.754 -5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.603 34.547 -4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.835 34.373 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.397 36.630 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.712 36.658 -3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.363 38.159 -5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.423 38.497 -6.559 1.00 0.00 H new ATOM 511 N PHE A 33 -1.073 33.809 -2.892 1.00 0.00 N ATOM 512 CA PHE A 33 0.066 33.982 -1.997 1.00 0.00 C ATOM 513 C PHE A 33 1.390 33.592 -2.662 1.00 0.00 C ATOM 514 O PHE A 33 2.376 34.324 -2.568 1.00 0.00 O ATOM 515 CB PHE A 33 -0.202 33.196 -0.697 1.00 0.00 C ATOM 516 CG PHE A 33 1.009 32.811 0.107 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.902 33.759 0.579 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.228 31.478 0.418 1.00 0.00 C ATOM 519 CE1 PHE A 33 2.999 33.379 1.335 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.317 31.093 1.172 1.00 0.00 C ATOM 521 CZ PHE A 33 3.206 32.043 1.629 1.00 0.00 C ATOM 0 H PHE A 33 -1.712 33.064 -2.616 1.00 0.00 H new ATOM 0 HA PHE A 33 0.174 35.039 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.858 33.794 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.747 32.287 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.742 34.803 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.535 30.729 0.064 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.692 34.125 1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.473 30.050 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.062 31.745 2.215 1.00 0.00 H new ATOM 531 N PHE A 34 1.411 32.444 -3.331 1.00 0.00 N ATOM 532 CA PHE A 34 2.623 31.976 -3.999 1.00 0.00 C ATOM 533 C PHE A 34 2.923 32.729 -5.298 1.00 0.00 C ATOM 534 O PHE A 34 4.087 32.932 -5.637 1.00 0.00 O ATOM 535 CB PHE A 34 2.573 30.464 -4.214 1.00 0.00 C ATOM 536 CG PHE A 34 2.966 29.720 -2.970 1.00 0.00 C ATOM 537 CD1 PHE A 34 2.046 29.494 -1.958 1.00 0.00 C ATOM 538 CD2 PHE A 34 4.271 29.288 -2.793 1.00 0.00 C ATOM 539 CE1 PHE A 34 2.422 28.854 -0.793 1.00 0.00 C ATOM 540 CE2 PHE A 34 4.650 28.640 -1.633 1.00 0.00 C ATOM 541 CZ PHE A 34 3.726 28.426 -0.630 1.00 0.00 C ATOM 0 H PHE A 34 0.608 31.822 -3.426 1.00 0.00 H new ATOM 0 HA PHE A 34 3.457 32.198 -3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.567 30.171 -4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.241 30.189 -5.030 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.024 29.822 -2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.000 29.460 -3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.697 28.688 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.668 28.301 -1.511 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.021 27.925 0.280 1.00 0.00 H new ATOM 551 N ASN A 35 1.888 33.160 -6.014 1.00 0.00 N ATOM 552 CA ASN A 35 2.093 33.912 -7.255 1.00 0.00 C ATOM 553 C ASN A 35 2.971 35.144 -7.016 1.00 0.00 C ATOM 554 O ASN A 35 3.712 35.577 -7.899 1.00 0.00 O ATOM 555 CB ASN A 35 0.754 34.324 -7.882 1.00 0.00 C ATOM 556 CG ASN A 35 0.108 33.231 -8.725 1.00 0.00 C ATOM 557 OD1 ASN A 35 0.370 31.965 -8.407 1.00 0.00 O flip ATOM 558 ND2 ASN A 35 -0.623 33.528 -9.670 1.00 0.00 N flip ATOM 0 H ASN A 35 0.911 33.006 -5.764 1.00 0.00 H new ATOM 0 HA ASN A 35 2.609 33.254 -7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.065 34.613 -7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.911 35.205 -8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.803 34.508 -9.887 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.048 32.794 -10.236 1.00 0.00 H new ATOM 565 N ASP A 36 2.881 35.697 -5.812 1.00 0.00 N ATOM 566 CA ASP A 36 3.660 36.872 -5.424 1.00 0.00 C ATOM 567 C ASP A 36 5.171 36.605 -5.457 1.00 0.00 C ATOM 568 O ASP A 36 5.967 37.543 -5.469 1.00 0.00 O ATOM 569 CB ASP A 36 3.246 37.343 -4.030 1.00 0.00 C ATOM 570 CG ASP A 36 1.844 37.920 -4.007 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.580 38.872 -4.769 1.00 0.00 O ATOM 572 OD2 ASP A 36 1.009 37.419 -3.227 1.00 0.00 O ATOM 0 H ASP A 36 2.268 35.346 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 36 3.449 37.654 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.303 36.505 -3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.952 38.096 -3.680 1.00 0.00 H new ATOM 577 N ASN A 37 5.561 35.329 -5.456 1.00 0.00 N ATOM 578 CA ASN A 37 6.982 34.972 -5.472 1.00 0.00 C ATOM 579 C ASN A 37 7.426 34.444 -6.838 1.00 0.00 C ATOM 580 O ASN A 37 8.614 34.471 -7.156 1.00 0.00 O ATOM 581 CB ASN A 37 7.297 33.947 -4.380 1.00 0.00 C ATOM 582 CG ASN A 37 6.593 32.625 -4.599 1.00 0.00 C ATOM 583 OD1 ASN A 37 6.798 31.958 -5.611 1.00 0.00 O ATOM 584 ND2 ASN A 37 5.759 32.239 -3.643 1.00 0.00 N ATOM 0 H ASN A 37 4.922 34.534 -5.444 1.00 0.00 H new ATOM 0 HA ASN A 37 7.543 35.885 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.373 33.779 -4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.006 34.353 -3.411 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.257 31.356 -3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.620 32.825 -2.820 1.00 0.00 H new ATOM 591 N GLY A 38 6.476 33.977 -7.650 1.00 0.00 N ATOM 592 CA GLY A 38 6.824 33.475 -8.973 1.00 0.00 C ATOM 593 C GLY A 38 6.235 32.109 -9.301 1.00 0.00 C ATOM 594 O GLY A 38 6.650 31.478 -10.273 1.00 0.00 O ATOM 0 H GLY A 38 5.483 33.937 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.486 34.192 -9.721 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.910 33.418 -9.053 1.00 0.00 H new ATOM 598 N VAL A 39 5.270 31.646 -8.510 1.00 0.00 N ATOM 599 CA VAL A 39 4.646 30.351 -8.764 1.00 0.00 C ATOM 600 C VAL A 39 3.453 30.504 -9.700 1.00 0.00 C ATOM 601 O VAL A 39 2.721 31.491 -9.628 1.00 0.00 O ATOM 602 CB VAL A 39 4.182 29.670 -7.459 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.691 28.254 -7.736 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.306 29.666 -6.432 1.00 0.00 C ATOM 0 H VAL A 39 4.907 32.142 -7.696 1.00 0.00 H new ATOM 0 HA VAL A 39 5.403 29.721 -9.232 1.00 0.00 H new ATOM 0 HB VAL A 39 3.349 30.240 -7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.369 27.792 -6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.853 28.289 -8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.500 27.667 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.962 29.182 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.162 29.121 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.600 30.692 -6.211 1.00 0.00 H new ATOM 614 N ASP A 40 3.265 29.528 -10.580 1.00 0.00 N ATOM 615 CA ASP A 40 2.161 29.565 -11.533 1.00 0.00 C ATOM 616 C ASP A 40 1.807 28.163 -12.019 1.00 0.00 C ATOM 617 O ASP A 40 2.398 27.175 -11.582 1.00 0.00 O ATOM 618 CB ASP A 40 2.521 30.453 -12.726 1.00 0.00 C ATOM 619 CG ASP A 40 2.628 31.917 -12.346 1.00 0.00 C ATOM 620 OD1 ASP A 40 1.671 32.444 -11.738 1.00 0.00 O ATOM 621 OD2 ASP A 40 3.669 32.537 -12.658 1.00 0.00 O ATOM 0 H ASP A 40 3.860 28.703 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 40 1.292 29.981 -11.024 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.468 30.120 -13.150 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.766 30.336 -13.503 1.00 0.00 H new ATOM 626 N GLY A 41 0.834 28.087 -12.922 1.00 0.00 N ATOM 627 CA GLY A 41 0.406 26.806 -13.455 1.00 0.00 C ATOM 628 C GLY A 41 -1.059 26.528 -13.176 1.00 0.00 C ATOM 629 O GLY A 41 -1.878 27.445 -13.168 1.00 0.00 O ATOM 0 H GLY A 41 0.333 28.893 -13.295 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.579 26.786 -14.531 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.014 26.012 -13.020 1.00 0.00 H new ATOM 633 N GLU A 42 -1.389 25.261 -12.947 1.00 0.00 N ATOM 634 CA GLU A 42 -2.768 24.873 -12.668 1.00 0.00 C ATOM 635 C GLU A 42 -2.820 23.668 -11.735 1.00 0.00 C ATOM 636 O GLU A 42 -1.874 22.885 -11.661 1.00 0.00 O ATOM 637 CB GLU A 42 -3.503 24.556 -13.971 1.00 0.00 C ATOM 638 CG GLU A 42 -3.866 25.789 -14.781 1.00 0.00 C ATOM 639 CD GLU A 42 -5.027 25.544 -15.726 1.00 0.00 C ATOM 640 OE1 GLU A 42 -4.894 24.681 -16.619 1.00 0.00 O ATOM 641 OE2 GLU A 42 -6.069 26.215 -15.572 1.00 0.00 O ATOM 0 H GLU A 42 -0.724 24.488 -12.949 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.260 25.711 -12.174 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.879 23.902 -14.580 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.413 24.003 -13.739 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.120 26.603 -14.102 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.997 26.111 -15.355 1.00 0.00 H new ATOM 648 N TRP A 43 -3.937 23.524 -11.029 1.00 0.00 N ATOM 649 CA TRP A 43 -4.119 22.413 -10.101 1.00 0.00 C ATOM 650 C TRP A 43 -4.342 21.108 -10.849 1.00 0.00 C ATOM 651 O TRP A 43 -5.326 20.952 -11.573 1.00 0.00 O ATOM 652 CB TRP A 43 -5.294 22.689 -9.162 1.00 0.00 C ATOM 653 CG TRP A 43 -4.976 23.694 -8.097 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.263 25.028 -8.119 1.00 0.00 C ATOM 655 CD2 TRP A 43 -4.305 23.447 -6.856 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.813 25.627 -6.967 1.00 0.00 N ATOM 657 CE2 TRP A 43 -4.221 24.676 -6.176 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.770 22.305 -6.253 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.623 24.796 -4.923 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -3.176 22.425 -5.010 1.00 0.00 C ATOM 661 CH2 TRP A 43 -3.107 23.662 -4.358 1.00 0.00 C ATOM 0 H TRP A 43 -4.730 24.163 -11.082 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.209 22.317 -9.509 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.142 23.045 -9.747 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.601 21.755 -8.691 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.770 25.539 -8.924 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.904 26.617 -6.738 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.820 21.347 -6.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.569 25.749 -4.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.758 21.550 -4.534 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.636 23.722 -3.388 1.00 0.00 H new ATOM 672 N THR A 44 -3.420 20.173 -10.664 1.00 0.00 N ATOM 673 CA THR A 44 -3.507 18.875 -11.312 1.00 0.00 C ATOM 674 C THR A 44 -3.788 17.785 -10.288 1.00 0.00 C ATOM 675 O THR A 44 -3.219 17.777 -9.197 1.00 0.00 O ATOM 676 CB THR A 44 -2.211 18.564 -12.059 1.00 0.00 C ATOM 677 OG1 THR A 44 -1.121 18.485 -11.158 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.865 19.592 -13.114 1.00 0.00 C ATOM 0 H THR A 44 -2.601 20.292 -10.068 1.00 0.00 H new ATOM 0 HA THR A 44 -4.329 18.905 -12.027 1.00 0.00 H new ATOM 0 HB THR A 44 -2.384 17.608 -12.553 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.377 18.881 -10.299 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.934 19.310 -13.605 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.665 19.639 -13.853 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.746 20.569 -12.645 1.00 0.00 H new ATOM 686 N TYR A 45 -4.664 16.866 -10.657 1.00 0.00 N ATOM 687 CA TYR A 45 -5.025 15.760 -9.781 1.00 0.00 C ATOM 688 C TYR A 45 -3.863 14.783 -9.643 1.00 0.00 C ATOM 689 O TYR A 45 -3.130 14.533 -10.600 1.00 0.00 O ATOM 690 CB TYR A 45 -6.265 15.042 -10.316 1.00 0.00 C ATOM 691 CG TYR A 45 -7.555 15.755 -9.985 1.00 0.00 C ATOM 692 CD1 TYR A 45 -8.154 15.605 -8.741 1.00 0.00 C ATOM 693 CD2 TYR A 45 -8.173 16.582 -10.915 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.332 16.259 -8.432 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.350 17.241 -10.613 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.925 17.076 -9.371 1.00 0.00 C ATOM 697 OH TYR A 45 -11.096 17.731 -9.066 1.00 0.00 O ATOM 0 H TYR A 45 -5.140 16.862 -11.559 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.254 16.162 -8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.180 14.942 -11.398 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.299 14.033 -9.904 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.692 14.967 -8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.726 16.712 -11.890 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.785 16.131 -7.460 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.817 17.882 -11.346 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.381 18.267 -9.836 1.00 0.00 H new ATOM 707 N ASP A 46 -3.695 14.237 -8.443 1.00 0.00 N ATOM 708 CA ASP A 46 -2.616 13.292 -8.177 1.00 0.00 C ATOM 709 C ASP A 46 -2.881 11.954 -8.860 1.00 0.00 C ATOM 710 O ASP A 46 -4.024 11.625 -9.180 1.00 0.00 O ATOM 711 CB ASP A 46 -2.462 13.077 -6.670 1.00 0.00 C ATOM 712 CG ASP A 46 -1.696 14.197 -5.998 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.222 15.329 -5.948 1.00 0.00 O ATOM 714 OD2 ASP A 46 -0.570 13.943 -5.520 1.00 0.00 O ATOM 0 H ASP A 46 -4.292 14.433 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.694 13.712 -8.580 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.449 12.993 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.948 12.132 -6.492 1.00 0.00 H new ATOM 719 N ASP A 47 -1.819 11.186 -9.082 1.00 0.00 N ATOM 720 CA ASP A 47 -1.940 9.883 -9.730 1.00 0.00 C ATOM 721 C ASP A 47 -2.711 8.908 -8.845 1.00 0.00 C ATOM 722 O ASP A 47 -2.442 8.794 -7.648 1.00 0.00 O ATOM 723 CB ASP A 47 -0.555 9.316 -10.047 1.00 0.00 C ATOM 724 CG ASP A 47 0.359 9.309 -8.836 1.00 0.00 C ATOM 725 OD1 ASP A 47 0.804 10.399 -8.423 1.00 0.00 O ATOM 726 OD2 ASP A 47 0.626 8.213 -8.301 1.00 0.00 O ATOM 0 H ASP A 47 -0.866 11.442 -8.824 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.491 10.017 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.660 8.299 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.097 9.906 -10.841 1.00 0.00 H new ATOM 731 N ALA A 48 -3.679 8.215 -9.439 1.00 0.00 N ATOM 732 CA ALA A 48 -4.503 7.257 -8.707 1.00 0.00 C ATOM 733 C ALA A 48 -3.657 6.204 -8.000 1.00 0.00 C ATOM 734 O ALA A 48 -2.654 5.731 -8.533 1.00 0.00 O ATOM 735 CB ALA A 48 -5.493 6.590 -9.651 1.00 0.00 C ATOM 0 H ALA A 48 -3.913 8.299 -10.428 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.049 7.808 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.102 5.878 -9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.137 7.348 -10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.950 6.066 -10.438 1.00 0.00 H new ATOM 741 N THR A 49 -4.079 5.843 -6.792 1.00 0.00 N ATOM 742 CA THR A 49 -3.377 4.846 -5.994 1.00 0.00 C ATOM 743 C THR A 49 -4.370 3.900 -5.323 1.00 0.00 C ATOM 744 O THR A 49 -5.535 4.249 -5.131 1.00 0.00 O ATOM 745 CB THR A 49 -2.509 5.528 -4.936 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.652 6.486 -5.531 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.647 4.560 -4.155 1.00 0.00 C ATOM 0 H THR A 49 -4.909 6.230 -6.343 1.00 0.00 H new ATOM 0 HA THR A 49 -2.736 4.266 -6.657 1.00 0.00 H new ATOM 0 HB THR A 49 -3.210 6.001 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.106 6.912 -4.838 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.057 5.109 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.283 3.838 -3.642 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.980 4.034 -4.838 1.00 0.00 H new ATOM 755 N LYS A 50 -3.910 2.701 -4.975 1.00 0.00 N ATOM 756 CA LYS A 50 -4.771 1.712 -4.332 1.00 0.00 C ATOM 757 C LYS A 50 -4.164 1.218 -3.020 1.00 0.00 C ATOM 758 O LYS A 50 -3.030 0.740 -2.989 1.00 0.00 O ATOM 759 CB LYS A 50 -5.013 0.529 -5.271 1.00 0.00 C ATOM 760 CG LYS A 50 -5.765 0.902 -6.539 1.00 0.00 C ATOM 761 CD LYS A 50 -5.809 -0.257 -7.522 1.00 0.00 C ATOM 762 CE LYS A 50 -6.343 0.181 -8.876 1.00 0.00 C ATOM 763 NZ LYS A 50 -5.872 -0.709 -9.974 1.00 0.00 N ATOM 0 H LYS A 50 -2.950 2.391 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.723 2.194 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.053 0.090 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.575 -0.238 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.781 1.204 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.285 1.761 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.808 -0.672 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.438 -1.052 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.433 0.183 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.026 1.204 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.167 -0.206 -10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.441 -1.564 -9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.679 -0.979 -10.572 1.00 0.00 H new ATOM 777 N THR A 51 -4.936 1.334 -1.943 1.00 0.00 N ATOM 778 CA THR A 51 -4.493 0.899 -0.622 1.00 0.00 C ATOM 779 C THR A 51 -5.275 -0.339 -0.176 1.00 0.00 C ATOM 780 O THR A 51 -6.498 -0.391 -0.306 1.00 0.00 O ATOM 781 CB THR A 51 -4.659 2.050 0.385 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.718 3.075 0.121 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.479 1.640 1.835 1.00 0.00 C ATOM 0 H THR A 51 -5.877 1.728 -1.960 1.00 0.00 H new ATOM 0 HA THR A 51 -3.438 0.627 -0.669 1.00 0.00 H new ATOM 0 HB THR A 51 -5.686 2.390 0.253 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.132 3.948 0.284 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.612 2.510 2.478 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.218 0.881 2.093 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.477 1.234 1.977 1.00 0.00 H new ATOM 791 N PHE A 52 -4.561 -1.335 0.348 1.00 0.00 N ATOM 792 CA PHE A 52 -5.191 -2.569 0.813 1.00 0.00 C ATOM 793 C PHE A 52 -5.783 -2.394 2.209 1.00 0.00 C ATOM 794 O PHE A 52 -5.059 -2.135 3.169 1.00 0.00 O ATOM 795 CB PHE A 52 -4.182 -3.720 0.822 1.00 0.00 C ATOM 796 CG PHE A 52 -4.820 -5.074 0.965 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.388 -5.705 -0.130 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.852 -5.713 2.193 1.00 0.00 C ATOM 799 CE1 PHE A 52 -5.977 -6.949 -0.002 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.439 -6.957 2.328 1.00 0.00 C ATOM 801 CZ PHE A 52 -6.002 -7.576 1.228 1.00 0.00 C ATOM 0 H PHE A 52 -3.548 -1.311 0.461 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.999 -2.807 0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.605 -3.694 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.479 -3.570 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.370 -5.219 -1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.413 -5.234 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.417 -7.430 -0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.458 -7.445 3.292 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.461 -8.548 1.330 1.00 0.00 H new ATOM 811 N THR A 53 -7.098 -2.554 2.320 1.00 0.00 N ATOM 812 CA THR A 53 -7.771 -2.429 3.608 1.00 0.00 C ATOM 813 C THR A 53 -7.871 -3.791 4.288 1.00 0.00 C ATOM 814 O THR A 53 -8.435 -4.732 3.731 1.00 0.00 O ATOM 815 CB THR A 53 -9.167 -1.823 3.429 1.00 0.00 C ATOM 816 OG1 THR A 53 -9.079 -0.530 2.859 1.00 0.00 O ATOM 817 CG2 THR A 53 -9.943 -1.698 4.724 1.00 0.00 C ATOM 0 H THR A 53 -7.716 -2.769 1.538 1.00 0.00 H new ATOM 0 HA THR A 53 -7.183 -1.764 4.240 1.00 0.00 H new ATOM 0 HB THR A 53 -9.698 -2.514 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.556 -0.572 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.921 -1.262 4.521 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.071 -2.685 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.396 -1.057 5.416 1.00 0.00 H new ATOM 825 N VAL A 54 -7.312 -3.892 5.490 1.00 0.00 N ATOM 826 CA VAL A 54 -7.336 -5.144 6.235 1.00 0.00 C ATOM 827 C VAL A 54 -8.735 -5.444 6.758 1.00 0.00 C ATOM 828 O VAL A 54 -9.551 -4.539 6.937 1.00 0.00 O ATOM 829 CB VAL A 54 -6.356 -5.128 7.424 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.155 -6.536 7.965 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.023 -4.510 7.025 1.00 0.00 C ATOM 0 H VAL A 54 -6.839 -3.124 5.967 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.028 -5.922 5.537 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.788 -4.512 8.213 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.460 -6.508 8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.112 -6.937 8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.749 -7.173 7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.350 -4.511 7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.580 -5.091 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.183 -3.485 6.691 1.00 0.00 H new ATOM 841 N THR A 55 -9.003 -6.719 7.004 1.00 0.00 N ATOM 842 CA THR A 55 -10.302 -7.145 7.510 1.00 0.00 C ATOM 843 C THR A 55 -10.165 -8.399 8.366 1.00 0.00 C ATOM 844 O THR A 55 -10.303 -8.348 9.589 1.00 0.00 O ATOM 845 CB THR A 55 -11.268 -7.397 6.350 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.413 -6.230 5.560 1.00 0.00 O ATOM 847 CG2 THR A 55 -12.651 -7.819 6.798 1.00 0.00 C ATOM 0 H THR A 55 -8.337 -7.478 6.861 1.00 0.00 H new ATOM 0 HA THR A 55 -10.704 -6.347 8.134 1.00 0.00 H new ATOM 0 HB THR A 55 -10.825 -8.213 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.033 -6.409 4.822 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.283 -7.980 5.925 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.581 -8.743 7.371 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.086 -7.037 7.421 1.00 0.00 H new ATOM 855 N GLU A 56 -9.890 -9.520 7.715 1.00 0.00 N ATOM 856 CA GLU A 56 -9.728 -10.793 8.410 1.00 0.00 C ATOM 857 C GLU A 56 -10.990 -11.158 9.186 1.00 0.00 C ATOM 858 O GLU A 56 -10.948 -12.144 9.951 1.00 0.00 O ATOM 859 CB GLU A 56 -8.531 -10.728 9.359 1.00 0.00 C ATOM 860 CG GLU A 56 -7.281 -10.146 8.721 1.00 0.00 C ATOM 861 CD GLU A 56 -6.156 -9.943 9.719 1.00 0.00 C ATOM 862 OE1 GLU A 56 -6.047 -10.753 10.662 1.00 0.00 O ATOM 863 OE2 GLU A 56 -5.386 -8.975 9.557 1.00 0.00 O ATOM 864 OXT GLU A 56 -12.010 -10.457 9.023 1.00 0.00 O ATOM 0 H GLU A 56 -9.774 -9.576 6.703 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.550 -11.566 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.799 -10.127 10.228 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.310 -11.732 9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.941 -10.810 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.526 -9.191 8.256 1.00 0.00 H new ATOM 872 N MET B 1 -10.395 17.379 1.804 1.00 0.00 N ATOM 873 CA MET B 1 -9.515 17.067 0.647 1.00 0.00 C ATOM 874 C MET B 1 -8.047 17.282 0.999 1.00 0.00 C ATOM 875 O MET B 1 -7.699 18.241 1.685 1.00 0.00 O ATOM 876 CB MET B 1 -9.915 17.962 -0.526 1.00 0.00 C ATOM 877 CG MET B 1 -11.013 17.369 -1.397 1.00 0.00 C ATOM 878 SD MET B 1 -10.379 16.645 -2.923 1.00 0.00 S ATOM 879 CE MET B 1 -9.001 15.688 -2.298 1.00 0.00 C ATOM 0 H1 MET B 1 -11.368 17.081 1.590 1.00 0.00 H new ATOM 0 H2 MET B 1 -10.055 16.872 2.646 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.378 18.403 1.987 1.00 0.00 H new ATOM 0 HA MET B 1 -9.637 16.018 0.376 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.249 18.925 -0.140 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.037 18.153 -1.143 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.546 16.605 -0.832 1.00 0.00 H new ATOM 0 HG3 MET B 1 -11.736 18.147 -1.642 1.00 0.00 H new ATOM 0 HE1 MET B 1 -8.583 15.083 -3.103 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.234 16.361 -1.915 1.00 0.00 H new ATOM 0 HE3 MET B 1 -9.345 15.036 -1.495 1.00 0.00 H new ATOM 891 N GLN B 2 -7.193 16.384 0.517 1.00 0.00 N ATOM 892 CA GLN B 2 -5.760 16.476 0.779 1.00 0.00 C ATOM 893 C GLN B 2 -5.070 17.303 -0.298 1.00 0.00 C ATOM 894 O GLN B 2 -5.167 16.996 -1.486 1.00 0.00 O ATOM 895 CB GLN B 2 -5.140 15.079 0.847 1.00 0.00 C ATOM 896 CG GLN B 2 -3.829 15.033 1.615 1.00 0.00 C ATOM 897 CD GLN B 2 -3.447 13.627 2.033 1.00 0.00 C ATOM 898 OE1 GLN B 2 -3.368 13.320 3.224 1.00 0.00 O ATOM 899 NE2 GLN B 2 -3.206 12.763 1.054 1.00 0.00 N ATOM 0 H GLN B 2 -7.467 15.586 -0.056 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.619 16.970 1.740 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.850 14.398 1.315 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -4.971 14.716 -0.167 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.035 15.453 0.997 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.909 15.662 2.501 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -3.283 13.060 0.081 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -2.944 11.802 1.275 1.00 0.00 H new ATOM 908 N TYR B 3 -4.379 18.358 0.123 1.00 0.00 N ATOM 909 CA TYR B 3 -3.683 19.235 -0.812 1.00 0.00 C ATOM 910 C TYR B 3 -2.166 19.113 -0.694 1.00 0.00 C ATOM 911 O TYR B 3 -1.605 19.141 0.403 1.00 0.00 O ATOM 912 CB TYR B 3 -4.113 20.685 -0.600 1.00 0.00 C ATOM 913 CG TYR B 3 -5.432 21.022 -1.257 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.506 21.246 -2.626 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.602 21.109 -0.514 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.707 21.551 -3.237 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.808 21.413 -1.117 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.855 21.632 -2.478 1.00 0.00 C ATOM 919 OH TYR B 3 -9.054 21.934 -3.081 1.00 0.00 O ATOM 0 H TYR B 3 -4.286 18.626 1.103 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.959 18.920 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -4.188 20.881 0.470 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.341 21.346 -0.992 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.609 21.181 -3.223 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.569 20.936 0.552 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.746 21.725 -4.302 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.709 21.479 -0.525 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.911 22.614 -3.772 1.00 0.00 H new ATOM 929 N LYS B 4 -1.521 18.980 -1.848 1.00 0.00 N ATOM 930 CA LYS B 4 -0.069 18.851 -1.915 1.00 0.00 C ATOM 931 C LYS B 4 0.572 20.136 -2.433 1.00 0.00 C ATOM 932 O LYS B 4 0.173 20.668 -3.469 1.00 0.00 O ATOM 933 CB LYS B 4 0.319 17.671 -2.809 1.00 0.00 C ATOM 934 CG LYS B 4 0.518 16.371 -2.045 1.00 0.00 C ATOM 935 CD LYS B 4 0.504 15.170 -2.975 1.00 0.00 C ATOM 936 CE LYS B 4 1.904 14.820 -3.453 1.00 0.00 C ATOM 937 NZ LYS B 4 1.891 13.704 -4.439 1.00 0.00 N ATOM 0 H LYS B 4 -1.985 18.959 -2.756 1.00 0.00 H new ATOM 0 HA LYS B 4 0.301 18.668 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.456 17.526 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.239 17.915 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.466 16.405 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.268 16.263 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.070 14.314 -2.459 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.133 15.381 -3.834 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.364 15.699 -3.905 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.521 14.542 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.808 13.661 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.720 12.805 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.135 13.865 -5.135 1.00 0.00 H new ATOM 951 N VAL B 5 1.571 20.625 -1.703 1.00 0.00 N ATOM 952 CA VAL B 5 2.276 21.844 -2.086 1.00 0.00 C ATOM 953 C VAL B 5 3.764 21.728 -1.777 1.00 0.00 C ATOM 954 O VAL B 5 4.151 21.479 -0.635 1.00 0.00 O ATOM 955 CB VAL B 5 1.704 23.078 -1.359 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.311 24.357 -1.917 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.187 23.109 -1.468 1.00 0.00 C ATOM 0 H VAL B 5 1.910 20.195 -0.842 1.00 0.00 H new ATOM 0 HA VAL B 5 2.136 21.972 -3.159 1.00 0.00 H new ATOM 0 HB VAL B 5 1.968 23.008 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL B 5 1.895 25.217 -1.391 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.392 24.336 -1.780 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.081 24.435 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -0.197 23.987 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -0.101 23.153 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.229 22.209 -1.015 1.00 0.00 H new ATOM 967 N ILE B 6 4.597 21.910 -2.797 1.00 0.00 N ATOM 968 CA ILE B 6 6.044 21.820 -2.625 1.00 0.00 C ATOM 969 C ILE B 6 6.674 23.200 -2.435 1.00 0.00 C ATOM 970 O ILE B 6 6.630 24.043 -3.331 1.00 0.00 O ATOM 971 CB ILE B 6 6.706 21.127 -3.834 1.00 0.00 C ATOM 972 CG1 ILE B 6 5.998 19.807 -4.145 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.187 20.888 -3.567 1.00 0.00 C ATOM 974 CD1 ILE B 6 6.278 19.284 -5.537 1.00 0.00 C ATOM 0 H ILE B 6 4.297 22.120 -3.749 1.00 0.00 H new ATOM 0 HA ILE B 6 6.217 21.225 -1.728 1.00 0.00 H new ATOM 0 HB ILE B 6 6.614 21.781 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.306 19.058 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.923 19.944 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE B 6 8.638 20.398 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.684 21.842 -3.391 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.300 20.252 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.744 18.346 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE B 6 5.944 20.014 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.348 19.115 -5.654 1.00 0.00 H new ATOM 986 N LEU B 7 7.278 23.415 -1.270 1.00 0.00 N ATOM 987 CA LEU B 7 7.941 24.681 -0.969 1.00 0.00 C ATOM 988 C LEU B 7 9.457 24.497 -1.031 1.00 0.00 C ATOM 989 O LEU B 7 10.013 23.655 -0.326 1.00 0.00 O ATOM 990 CB LEU B 7 7.520 25.198 0.413 1.00 0.00 C ATOM 991 CG LEU B 7 6.351 26.195 0.408 1.00 0.00 C ATOM 992 CD1 LEU B 7 5.047 25.492 0.750 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.610 27.343 1.381 1.00 0.00 C ATOM 0 H LEU B 7 7.322 22.728 -0.517 1.00 0.00 H new ATOM 0 HA LEU B 7 7.642 25.420 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.247 24.345 1.035 1.00 0.00 H new ATOM 0 HB3 LEU B 7 8.381 25.673 0.883 1.00 0.00 H new ATOM 0 HG LEU B 7 6.267 26.612 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.231 26.215 0.741 1.00 0.00 H new ATOM 0 HD12 LEU B 7 4.850 24.713 0.014 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.124 25.044 1.741 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.768 28.035 1.359 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.727 26.946 2.389 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.520 27.868 1.090 1.00 0.00 H new ATOM 1208 N ASP B 22 10.278 29.296 1.653 1.00 0.00 N ATOM 1209 CA ASP B 22 10.853 28.616 2.812 1.00 0.00 C ATOM 1210 C ASP B 22 9.839 27.719 3.510 1.00 0.00 C ATOM 1211 O ASP B 22 8.685 28.089 3.694 1.00 0.00 O ATOM 1212 CB ASP B 22 11.381 29.654 3.802 1.00 0.00 C ATOM 1213 CG ASP B 22 12.199 29.030 4.915 1.00 0.00 C ATOM 1214 OD1 ASP B 22 11.596 28.541 5.893 1.00 0.00 O ATOM 1215 OD2 ASP B 22 13.443 29.032 4.810 1.00 0.00 O ATOM 0 HA ASP B 22 11.666 27.983 2.456 1.00 0.00 H new ATOM 0 HB2 ASP B 22 11.993 30.381 3.269 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.542 30.199 4.234 1.00 0.00 H new ATOM 1220 N ALA B 23 10.289 26.535 3.894 1.00 0.00 N ATOM 1221 CA ALA B 23 9.442 25.563 4.579 1.00 0.00 C ATOM 1222 C ALA B 23 8.610 26.216 5.691 1.00 0.00 C ATOM 1223 O ALA B 23 7.414 25.951 5.824 1.00 0.00 O ATOM 1224 CB ALA B 23 10.323 24.457 5.131 1.00 0.00 C ATOM 0 H ALA B 23 11.247 26.219 3.742 1.00 0.00 H new ATOM 0 HA ALA B 23 8.730 25.146 3.867 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.704 23.722 5.646 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.855 23.973 4.312 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.043 24.881 5.832 1.00 0.00 H new ATOM 1230 N ALA B 24 9.251 27.075 6.479 1.00 0.00 N ATOM 1231 CA ALA B 24 8.579 27.775 7.570 1.00 0.00 C ATOM 1232 C ALA B 24 7.532 28.758 7.042 1.00 0.00 C ATOM 1233 O ALA B 24 6.578 29.097 7.741 1.00 0.00 O ATOM 1234 CB ALA B 24 9.597 28.501 8.437 1.00 0.00 C ATOM 0 H ALA B 24 10.240 27.304 6.381 1.00 0.00 H new ATOM 0 HA ALA B 24 8.062 27.032 8.177 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.082 29.019 9.246 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.299 27.780 8.856 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.140 29.226 7.831 1.00 0.00 H new ATOM 1240 N THR B 25 7.718 29.212 5.802 1.00 0.00 N ATOM 1241 CA THR B 25 6.790 30.154 5.178 1.00 0.00 C ATOM 1242 C THR B 25 5.397 29.544 5.085 1.00 0.00 C ATOM 1243 O THR B 25 4.392 30.210 5.332 1.00 0.00 O ATOM 1244 CB THR B 25 7.296 30.528 3.780 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.570 31.137 3.851 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.388 31.469 3.026 1.00 0.00 C ATOM 0 H THR B 25 8.504 28.942 5.210 1.00 0.00 H new ATOM 0 HA THR B 25 6.733 31.053 5.791 1.00 0.00 H new ATOM 0 HB THR B 25 7.332 29.582 3.240 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.874 31.366 2.948 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.818 31.683 2.048 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.409 31.006 2.899 1.00 0.00 H new ATOM 0 HG23 THR B 25 6.280 32.398 3.586 1.00 0.00 H new ATOM 1254 N PHE B 26 5.355 28.261 4.752 1.00 0.00 N ATOM 1255 CA PHE B 26 4.093 27.543 4.655 1.00 0.00 C ATOM 1256 C PHE B 26 3.468 27.371 6.036 1.00 0.00 C ATOM 1257 O PHE B 26 2.277 27.610 6.229 1.00 0.00 O ATOM 1258 CB PHE B 26 4.289 26.177 3.998 1.00 0.00 C ATOM 1259 CG PHE B 26 3.000 25.552 3.544 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.246 26.143 2.542 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.540 24.381 4.122 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.057 25.576 2.126 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.352 23.808 3.709 1.00 0.00 C ATOM 1264 CZ PHE B 26 0.609 24.406 2.710 1.00 0.00 C ATOM 0 H PHE B 26 6.180 27.697 4.545 1.00 0.00 H new ATOM 0 HA PHE B 26 3.420 28.132 4.032 1.00 0.00 H new ATOM 0 HB2 PHE B 26 4.955 26.284 3.142 1.00 0.00 H new ATOM 0 HB3 PHE B 26 4.782 25.508 4.704 1.00 0.00 H new ATOM 0 HD1 PHE B 26 2.592 27.057 2.082 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.116 23.910 4.905 1.00 0.00 H new ATOM 0 HE1 PHE B 26 0.478 26.046 1.345 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.005 22.894 4.167 1.00 0.00 H new ATOM 0 HZ PHE B 26 -0.320 23.960 2.386 1.00 0.00 H new ATOM 1274 N GLU B 27 4.287 26.938 6.991 1.00 0.00 N ATOM 1275 CA GLU B 27 3.827 26.710 8.358 1.00 0.00 C ATOM 1276 C GLU B 27 3.162 27.948 8.958 1.00 0.00 C ATOM 1277 O GLU B 27 2.050 27.870 9.482 1.00 0.00 O ATOM 1278 CB GLU B 27 5.001 26.277 9.240 1.00 0.00 C ATOM 1279 CG GLU B 27 5.626 24.958 8.814 1.00 0.00 C ATOM 1280 CD GLU B 27 6.982 24.723 9.448 1.00 0.00 C ATOM 1281 OE1 GLU B 27 7.074 24.789 10.692 1.00 0.00 O ATOM 1282 OE2 GLU B 27 7.952 24.474 8.701 1.00 0.00 O ATOM 0 H GLU B 27 5.276 26.737 6.842 1.00 0.00 H new ATOM 0 HA GLU B 27 3.078 25.919 8.320 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.765 27.054 9.222 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.658 26.191 10.271 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.957 24.140 9.082 1.00 0.00 H new ATOM 0 HG3 GLU B 27 5.729 24.943 7.729 1.00 0.00 H new ATOM 1289 N LYS B 28 3.854 29.080 8.907 1.00 0.00 N ATOM 1290 CA LYS B 28 3.337 30.320 9.477 1.00 0.00 C ATOM 1291 C LYS B 28 2.119 30.846 8.719 1.00 0.00 C ATOM 1292 O LYS B 28 1.111 31.200 9.330 1.00 0.00 O ATOM 1293 CB LYS B 28 4.433 31.386 9.498 1.00 0.00 C ATOM 1294 CG LYS B 28 4.089 32.595 10.353 1.00 0.00 C ATOM 1295 CD LYS B 28 5.159 33.670 10.257 1.00 0.00 C ATOM 1296 CE LYS B 28 6.376 33.320 11.098 1.00 0.00 C ATOM 1297 NZ LYS B 28 7.291 34.484 11.263 1.00 0.00 N ATOM 0 H LYS B 28 4.775 29.166 8.477 1.00 0.00 H new ATOM 0 HA LYS B 28 3.018 30.096 10.495 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.356 30.940 9.869 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.627 31.716 8.477 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.130 33.005 10.035 1.00 0.00 H new ATOM 0 HG3 LYS B 28 3.975 32.286 11.392 1.00 0.00 H new ATOM 0 HD2 LYS B 28 5.458 33.795 9.216 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.749 34.624 10.588 1.00 0.00 H new ATOM 0 HE2 LYS B 28 6.052 32.971 12.079 1.00 0.00 H new ATOM 0 HE3 LYS B 28 6.916 32.497 10.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.108 34.204 11.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 7.621 34.801 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 6.783 35.261 11.733 1.00 0.00 H new ATOM 1311 N VAL B 29 2.211 30.908 7.394 1.00 0.00 N ATOM 1312 CA VAL B 29 1.107 31.403 6.575 1.00 0.00 C ATOM 1313 C VAL B 29 -0.137 30.524 6.686 1.00 0.00 C ATOM 1314 O VAL B 29 -1.256 31.029 6.767 1.00 0.00 O ATOM 1315 CB VAL B 29 1.512 31.510 5.087 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.359 32.040 4.238 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.741 32.395 4.935 1.00 0.00 C ATOM 0 H VAL B 29 3.035 30.623 6.865 1.00 0.00 H new ATOM 0 HA VAL B 29 0.869 32.394 6.961 1.00 0.00 H new ATOM 0 HB VAL B 29 1.756 30.509 4.730 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.674 32.104 3.196 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.493 31.365 4.319 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.072 33.030 4.592 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.014 32.461 3.882 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.521 33.392 5.316 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.570 31.967 5.499 1.00 0.00 H new ATOM 1327 N VAL B 30 0.060 29.210 6.678 1.00 0.00 N ATOM 1328 CA VAL B 30 -1.059 28.277 6.758 1.00 0.00 C ATOM 1329 C VAL B 30 -1.714 28.294 8.136 1.00 0.00 C ATOM 1330 O VAL B 30 -2.938 28.358 8.241 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.629 26.837 6.392 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.803 25.869 6.476 1.00 0.00 C ATOM 1333 CG2 VAL B 30 -0.021 26.809 4.998 1.00 0.00 C ATOM 0 H VAL B 30 0.978 28.769 6.617 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.795 28.612 6.027 1.00 0.00 H new ATOM 0 HB VAL B 30 0.121 26.516 7.115 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.467 24.866 6.213 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.199 25.864 7.492 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.584 26.183 5.784 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.278 25.790 4.752 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.757 27.157 4.273 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.853 27.460 4.969 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.910 28.248 9.191 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.449 28.269 10.544 1.00 0.00 C ATOM 1345 C LYS B 31 -2.177 29.581 10.806 1.00 0.00 C ATOM 1346 O LYS B 31 -3.285 29.595 11.342 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.323 28.080 11.565 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.800 28.075 13.007 1.00 0.00 C ATOM 1349 CD LYS B 31 0.321 28.451 13.963 1.00 0.00 C ATOM 1350 CE LYS B 31 -0.015 28.069 15.396 1.00 0.00 C ATOM 1351 NZ LYS B 31 1.109 28.364 16.327 1.00 0.00 N ATOM 0 H LYS B 31 0.107 28.196 9.137 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.160 27.449 10.646 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.189 27.140 11.358 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.409 28.877 11.437 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.627 28.775 13.121 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.182 27.086 13.262 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.242 27.953 13.659 1.00 0.00 H new ATOM 0 HD3 LYS B 31 0.505 29.524 13.905 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.904 28.611 15.717 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.255 27.007 15.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.840 28.089 17.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.951 27.827 16.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.322 29.382 16.303 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.554 30.682 10.411 1.00 0.00 N ATOM 1366 CA GLN B 32 -2.148 31.998 10.593 1.00 0.00 C ATOM 1367 C GLN B 32 -3.448 32.129 9.806 1.00 0.00 C ATOM 1368 O GLN B 32 -4.454 32.608 10.330 1.00 0.00 O ATOM 1369 CB GLN B 32 -1.167 33.090 10.164 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.663 34.498 10.448 1.00 0.00 C ATOM 1371 CD GLN B 32 -1.483 34.897 11.899 1.00 0.00 C ATOM 1372 OE1 GLN B 32 -0.383 34.815 12.446 1.00 0.00 O ATOM 1373 NE2 GLN B 32 -2.567 35.332 12.532 1.00 0.00 N ATOM 0 H GLN B 32 -0.638 30.690 9.963 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.375 32.118 11.652 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -0.218 32.937 10.678 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.970 32.991 9.096 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -1.128 35.203 9.812 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -2.718 34.568 10.184 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -3.459 35.384 12.040 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -2.507 35.614 13.510 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.428 31.697 8.548 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.604 31.756 7.689 1.00 0.00 C ATOM 1384 C PHE B 33 -5.708 30.799 8.151 1.00 0.00 C ATOM 1385 O PHE B 33 -6.876 31.182 8.224 1.00 0.00 O ATOM 1386 CB PHE B 33 -4.165 31.500 6.232 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.233 31.005 5.294 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.398 31.722 5.074 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -5.040 29.820 4.605 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.356 31.255 4.190 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.990 29.350 3.721 1.00 0.00 C ATOM 1392 CZ PHE B 33 -7.151 30.064 3.516 1.00 0.00 C ATOM 0 H PHE B 33 -2.603 31.299 8.099 1.00 0.00 H new ATOM 0 HA PHE B 33 -5.048 32.750 7.753 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.758 32.427 5.829 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.353 30.773 6.241 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.560 32.653 5.597 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -4.133 29.255 4.761 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.262 31.820 4.027 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.824 28.424 3.191 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.899 29.695 2.831 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.339 29.561 8.459 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.312 28.568 8.907 1.00 0.00 C ATOM 1404 C PHE B 34 -6.770 28.783 10.351 1.00 0.00 C ATOM 1405 O PHE B 34 -7.925 28.509 10.679 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.784 27.151 8.680 1.00 0.00 C ATOM 1407 CG PHE B 34 -5.983 26.712 7.258 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -5.088 27.083 6.269 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -7.097 25.968 6.902 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -5.301 26.722 4.952 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -7.311 25.596 5.589 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.413 25.978 4.612 1.00 0.00 C ATOM 0 H PHE B 34 -4.379 29.221 8.408 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.204 28.701 8.295 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.724 27.112 8.929 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.294 26.459 9.350 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -4.214 27.661 6.530 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -7.807 25.675 7.661 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -4.598 27.022 4.189 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -8.178 25.008 5.327 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.580 25.695 3.583 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.888 29.288 11.210 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.259 29.549 12.604 1.00 0.00 C ATOM 1424 C ASN B 35 -7.486 30.461 12.688 1.00 0.00 C ATOM 1425 O ASN B 35 -8.283 30.367 13.623 1.00 0.00 O ATOM 1426 CB ASN B 35 -5.086 30.160 13.383 1.00 0.00 C ATOM 1427 CG ASN B 35 -4.092 29.128 13.905 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.962 27.992 13.225 1.00 0.00 O flip ATOM 1429 ND2 ASN B 35 -3.447 29.352 14.930 1.00 0.00 N flip ATOM 0 H ASN B 35 -4.924 29.523 10.973 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.512 28.592 13.060 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.560 30.864 12.738 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.478 30.731 14.224 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.570 30.234 15.428 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -2.789 28.656 15.281 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.630 31.336 11.700 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.753 32.270 11.631 1.00 0.00 C ATOM 1438 C ASP B 36 -10.103 31.549 11.516 1.00 0.00 C ATOM 1439 O ASP B 36 -11.150 32.146 11.758 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.573 33.226 10.453 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.425 34.195 10.663 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -7.445 34.930 11.673 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.505 34.218 9.818 1.00 0.00 O ATOM 0 H ASP B 36 -6.974 31.420 10.924 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.760 32.834 12.564 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.396 32.650 9.545 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.495 33.787 10.300 1.00 0.00 H new ATOM 1448 N ASN B 37 -10.077 30.272 11.129 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.312 29.502 10.976 1.00 0.00 C ATOM 1450 C ASN B 37 -11.506 28.493 12.109 1.00 0.00 C ATOM 1451 O ASN B 37 -12.629 28.059 12.367 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.345 28.789 9.621 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.256 27.747 9.484 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -10.198 26.785 10.252 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.387 27.932 8.499 1.00 0.00 N ATOM 0 H ASN B 37 -9.224 29.754 10.918 1.00 0.00 H new ATOM 0 HA ASN B 37 -12.137 30.213 11.023 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -12.317 28.313 9.489 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -11.240 29.526 8.825 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.631 27.263 8.353 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.474 28.744 7.888 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.422 28.130 12.795 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.535 27.187 13.900 1.00 0.00 C ATOM 1464 C GLY B 38 -9.535 26.039 13.848 1.00 0.00 C ATOM 1465 O GLY B 38 -9.686 25.058 14.576 1.00 0.00 O ATOM 0 H GLY B 38 -9.477 28.467 12.609 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.403 27.726 14.838 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.544 26.775 13.909 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.510 26.149 13.007 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.502 25.098 12.905 1.00 0.00 C ATOM 1471 C VAL B 39 -6.374 25.339 13.901 1.00 0.00 C ATOM 1472 O VAL B 39 -5.989 26.482 14.152 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.911 25.003 11.484 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -5.988 23.796 11.365 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -8.024 24.940 10.447 1.00 0.00 C ATOM 0 H VAL B 39 -8.356 26.948 12.391 1.00 0.00 H new ATOM 0 HA VAL B 39 -8.001 24.156 13.134 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.320 25.899 11.295 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.581 23.747 10.355 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -5.171 23.891 12.081 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.550 22.886 11.574 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.589 24.873 9.450 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.644 24.063 10.632 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.637 25.839 10.516 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.851 24.260 14.472 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.770 24.364 15.445 1.00 0.00 C ATOM 1487 C ASP B 40 -3.973 23.064 15.522 1.00 0.00 C ATOM 1488 O ASP B 40 -4.247 22.113 14.792 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.333 24.713 16.825 1.00 0.00 C ATOM 1490 CG ASP B 40 -5.909 26.114 16.879 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -5.190 27.066 16.505 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -7.078 26.261 17.293 1.00 0.00 O ATOM 0 H ASP B 40 -6.157 23.306 14.279 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.099 25.159 15.119 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.108 23.994 17.090 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.543 24.619 17.570 1.00 0.00 H new ATOM 1497 N GLY B 41 -2.986 23.038 16.413 1.00 0.00 N ATOM 1498 CA GLY B 41 -2.157 21.856 16.573 1.00 0.00 C ATOM 1499 C GLY B 41 -0.694 22.142 16.295 1.00 0.00 C ATOM 1500 O GLY B 41 -0.202 23.230 16.591 1.00 0.00 O ATOM 0 H GLY B 41 -2.745 23.815 17.028 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -2.264 21.473 17.588 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.507 21.074 15.899 1.00 0.00 H new ATOM 1504 N GLU B 42 0.005 21.164 15.727 1.00 0.00 N ATOM 1505 CA GLU B 42 1.421 21.324 15.415 1.00 0.00 C ATOM 1506 C GLU B 42 1.804 20.517 14.178 1.00 0.00 C ATOM 1507 O GLU B 42 1.145 19.534 13.836 1.00 0.00 O ATOM 1508 CB GLU B 42 2.279 20.890 16.604 1.00 0.00 C ATOM 1509 CG GLU B 42 2.285 21.892 17.747 1.00 0.00 C ATOM 1510 CD GLU B 42 3.508 21.759 18.632 1.00 0.00 C ATOM 1511 OE1 GLU B 42 3.695 20.677 19.228 1.00 0.00 O ATOM 1512 OE2 GLU B 42 4.280 22.736 18.730 1.00 0.00 O ATOM 0 H GLU B 42 -0.384 20.256 15.474 1.00 0.00 H new ATOM 0 HA GLU B 42 1.602 22.379 15.208 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.915 19.932 16.974 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.303 20.732 16.265 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.244 22.902 17.340 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.388 21.755 18.350 1.00 0.00 H new ATOM 1519 N TRP B 43 2.875 20.938 13.513 1.00 0.00 N ATOM 1520 CA TRP B 43 3.351 20.256 12.316 1.00 0.00 C ATOM 1521 C TRP B 43 4.005 18.930 12.667 1.00 0.00 C ATOM 1522 O TRP B 43 5.022 18.886 13.357 1.00 0.00 O ATOM 1523 CB TRP B 43 4.337 21.143 11.553 1.00 0.00 C ATOM 1524 CG TRP B 43 3.670 22.259 10.809 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.530 23.551 11.225 1.00 0.00 C ATOM 1526 CD2 TRP B 43 3.052 22.182 9.519 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.861 24.283 10.274 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.558 23.465 9.217 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.870 21.153 8.590 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.893 23.745 8.025 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 2.209 21.433 7.409 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.729 22.719 7.135 1.00 0.00 C ATOM 0 H TRP B 43 3.430 21.750 13.784 1.00 0.00 H new ATOM 0 HA TRP B 43 2.490 20.055 11.679 1.00 0.00 H new ATOM 0 HB2 TRP B 43 5.058 21.562 12.255 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.898 20.529 10.849 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.892 23.941 12.165 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.628 25.274 10.343 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.239 20.158 8.792 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.521 24.736 7.811 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.060 20.646 6.685 1.00 0.00 H new ATOM 0 HH2 TRP B 43 1.219 22.905 6.202 1.00 0.00 H new ATOM 1543 N THR B 44 3.409 17.849 12.181 1.00 0.00 N ATOM 1544 CA THR B 44 3.926 16.515 12.432 1.00 0.00 C ATOM 1545 C THR B 44 4.484 15.909 11.153 1.00 0.00 C ATOM 1546 O THR B 44 3.897 16.040 10.079 1.00 0.00 O ATOM 1547 CB THR B 44 2.828 15.613 12.997 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.776 15.460 12.062 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.229 16.135 14.285 1.00 0.00 C ATOM 0 H THR B 44 2.565 17.873 11.609 1.00 0.00 H new ATOM 0 HA THR B 44 4.730 16.594 13.164 1.00 0.00 H new ATOM 0 HB THR B 44 3.314 14.659 13.203 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.873 16.125 11.349 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.457 15.448 14.632 1.00 0.00 H new ATOM 0 HG22 THR B 44 3.009 16.216 15.042 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.789 17.117 14.110 1.00 0.00 H new ATOM 1557 N TYR B 45 5.619 15.242 11.283 1.00 0.00 N ATOM 1558 CA TYR B 45 6.265 14.605 10.144 1.00 0.00 C ATOM 1559 C TYR B 45 5.460 13.398 9.676 1.00 0.00 C ATOM 1560 O TYR B 45 4.890 12.668 10.487 1.00 0.00 O ATOM 1561 CB TYR B 45 7.690 14.187 10.507 1.00 0.00 C ATOM 1562 CG TYR B 45 8.679 15.328 10.454 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.242 15.728 9.248 1.00 0.00 C ATOM 1564 CD2 TYR B 45 9.046 16.011 11.607 1.00 0.00 C ATOM 1565 CE1 TYR B 45 10.142 16.775 9.193 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.945 17.059 11.560 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.490 17.437 10.352 1.00 0.00 C ATOM 1568 OH TYR B 45 11.384 18.481 10.300 1.00 0.00 O ATOM 0 H TYR B 45 6.114 15.127 12.167 1.00 0.00 H new ATOM 0 HA TYR B 45 6.310 15.325 9.327 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.692 13.760 11.510 1.00 0.00 H new ATOM 0 HB3 TYR B 45 8.016 13.401 9.825 1.00 0.00 H new ATOM 0 HD1 TYR B 45 8.972 15.212 8.339 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.621 15.718 12.556 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.571 17.073 8.248 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.219 17.580 12.466 1.00 0.00 H new ATOM 0 HH TYR B 45 11.521 18.840 11.202 1.00 0.00 H new ATOM 1578 N ASP B 46 5.411 13.197 8.364 1.00 0.00 N ATOM 1579 CA ASP B 46 4.668 12.081 7.790 1.00 0.00 C ATOM 1580 C ASP B 46 5.372 10.756 8.071 1.00 0.00 C ATOM 1581 O ASP B 46 6.574 10.724 8.333 1.00 0.00 O ATOM 1582 CB ASP B 46 4.518 12.269 6.280 1.00 0.00 C ATOM 1583 CG ASP B 46 3.403 13.232 5.922 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.547 14.439 6.211 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.388 12.780 5.353 1.00 0.00 O ATOM 0 H ASP B 46 5.876 13.792 7.678 1.00 0.00 H new ATOM 0 HA ASP B 46 3.682 12.058 8.253 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.458 12.637 5.868 1.00 0.00 H new ATOM 0 HB3 ASP B 46 4.323 11.303 5.815 1.00 0.00 H new ATOM 1590 N ASP B 47 4.614 9.665 8.017 1.00 0.00 N ATOM 1591 CA ASP B 47 5.169 8.339 8.269 1.00 0.00 C ATOM 1592 C ASP B 47 6.162 7.949 7.178 1.00 0.00 C ATOM 1593 O ASP B 47 5.886 8.109 5.988 1.00 0.00 O ATOM 1594 CB ASP B 47 4.047 7.299 8.347 1.00 0.00 C ATOM 1595 CG ASP B 47 3.126 7.351 7.144 1.00 0.00 C ATOM 1596 OD1 ASP B 47 2.335 8.314 7.043 1.00 0.00 O ATOM 1597 OD2 ASP B 47 3.197 6.431 6.303 1.00 0.00 O ATOM 0 H ASP B 47 3.617 9.672 7.802 1.00 0.00 H new ATOM 0 HA ASP B 47 5.696 8.369 9.223 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.483 6.303 8.424 1.00 0.00 H new ATOM 0 HB3 ASP B 47 3.465 7.464 9.254 1.00 0.00 H new ATOM 1602 N ALA B 48 7.324 7.449 7.592 1.00 0.00 N ATOM 1603 CA ALA B 48 8.369 7.046 6.655 1.00 0.00 C ATOM 1604 C ALA B 48 7.860 6.027 5.640 1.00 0.00 C ATOM 1605 O ALA B 48 7.077 5.137 5.972 1.00 0.00 O ATOM 1606 CB ALA B 48 9.563 6.485 7.412 1.00 0.00 C ATOM 0 H ALA B 48 7.566 7.313 8.574 1.00 0.00 H new ATOM 0 HA ALA B 48 8.677 7.933 6.102 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.336 6.188 6.703 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.959 7.247 8.083 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.250 5.617 7.993 1.00 0.00 H new ATOM 1612 N THR B 49 8.318 6.169 4.401 1.00 0.00 N ATOM 1613 CA THR B 49 7.924 5.272 3.319 1.00 0.00 C ATOM 1614 C THR B 49 9.129 4.923 2.450 1.00 0.00 C ATOM 1615 O THR B 49 10.114 5.661 2.420 1.00 0.00 O ATOM 1616 CB THR B 49 6.837 5.923 2.463 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.750 6.347 3.266 1.00 0.00 O ATOM 1618 CG2 THR B 49 6.286 5.004 1.393 1.00 0.00 C ATOM 0 H THR B 49 8.968 6.903 4.119 1.00 0.00 H new ATOM 0 HA THR B 49 7.530 4.355 3.757 1.00 0.00 H new ATOM 0 HB THR B 49 7.322 6.770 1.978 1.00 0.00 H new ATOM 0 HG1 THR B 49 5.067 6.762 2.699 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.519 5.528 0.823 1.00 0.00 H new ATOM 0 HG22 THR B 49 7.091 4.700 0.724 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.850 4.121 1.861 1.00 0.00 H new ATOM 1626 N LYS B 50 9.052 3.795 1.749 1.00 0.00 N ATOM 1627 CA LYS B 50 10.149 3.360 0.888 1.00 0.00 C ATOM 1628 C LYS B 50 9.666 3.100 -0.537 1.00 0.00 C ATOM 1629 O LYS B 50 8.738 2.323 -0.759 1.00 0.00 O ATOM 1630 CB LYS B 50 10.795 2.095 1.455 1.00 0.00 C ATOM 1631 CG LYS B 50 11.451 2.302 2.811 1.00 0.00 C ATOM 1632 CD LYS B 50 11.893 0.982 3.423 1.00 0.00 C ATOM 1633 CE LYS B 50 12.332 1.158 4.868 1.00 0.00 C ATOM 1634 NZ LYS B 50 12.213 -0.109 5.642 1.00 0.00 N ATOM 0 H LYS B 50 8.247 3.169 1.759 1.00 0.00 H new ATOM 0 HA LYS B 50 10.887 4.161 0.857 1.00 0.00 H new ATOM 0 HB2 LYS B 50 10.036 1.318 1.543 1.00 0.00 H new ATOM 0 HB3 LYS B 50 11.543 1.732 0.750 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.313 2.961 2.703 1.00 0.00 H new ATOM 0 HG3 LYS B 50 10.752 2.800 3.483 1.00 0.00 H new ATOM 0 HD2 LYS B 50 11.073 0.265 3.375 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.715 0.566 2.840 1.00 0.00 H new ATOM 0 HE2 LYS B 50 13.365 1.504 4.894 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.725 1.931 5.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 11.427 -0.030 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 12.030 -0.898 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 13.098 -0.285 6.159 1.00 0.00 H new ATOM 1648 N THR B 51 10.310 3.758 -1.498 1.00 0.00 N ATOM 1649 CA THR B 51 9.963 3.607 -2.908 1.00 0.00 C ATOM 1650 C THR B 51 11.070 2.856 -3.653 1.00 0.00 C ATOM 1651 O THR B 51 12.254 3.152 -3.485 1.00 0.00 O ATOM 1652 CB THR B 51 9.714 4.990 -3.533 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.515 5.549 -3.029 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.602 4.978 -5.046 1.00 0.00 C ATOM 0 H THR B 51 11.079 4.405 -1.324 1.00 0.00 H new ATOM 0 HA THR B 51 9.048 3.020 -2.991 1.00 0.00 H new ATOM 0 HB THR B 51 10.589 5.581 -3.262 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.426 5.330 -2.078 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.427 5.992 -5.406 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.527 4.595 -5.476 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.771 4.339 -5.344 1.00 0.00 H new ATOM 1662 N PHE B 52 10.678 1.882 -4.473 1.00 0.00 N ATOM 1663 CA PHE B 52 11.638 1.093 -5.243 1.00 0.00 C ATOM 1664 C PHE B 52 12.079 1.835 -6.501 1.00 0.00 C ATOM 1665 O PHE B 52 11.266 2.120 -7.379 1.00 0.00 O ATOM 1666 CB PHE B 52 11.038 -0.262 -5.628 1.00 0.00 C ATOM 1667 CG PHE B 52 12.057 -1.249 -6.124 1.00 0.00 C ATOM 1668 CD1 PHE B 52 12.853 -1.949 -5.233 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.219 -1.474 -7.482 1.00 0.00 C ATOM 1670 CE1 PHE B 52 13.793 -2.857 -5.686 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.156 -2.381 -7.941 1.00 0.00 C ATOM 1672 CZ PHE B 52 13.944 -3.073 -7.042 1.00 0.00 C ATOM 0 H PHE B 52 9.703 1.621 -4.621 1.00 0.00 H new ATOM 0 HA PHE B 52 12.511 0.931 -4.611 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.527 -0.683 -4.762 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.284 -0.110 -6.401 1.00 0.00 H new ATOM 0 HD1 PHE B 52 12.739 -1.784 -4.172 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.606 -0.935 -8.189 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.408 -3.396 -4.981 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.272 -2.548 -9.002 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.677 -3.782 -7.399 1.00 0.00 H new ATOM 1682 N THR B 53 13.372 2.132 -6.593 1.00 0.00 N ATOM 1683 CA THR B 53 13.910 2.823 -7.759 1.00 0.00 C ATOM 1684 C THR B 53 14.394 1.815 -8.795 1.00 0.00 C ATOM 1685 O THR B 53 15.248 0.976 -8.507 1.00 0.00 O ATOM 1686 CB THR B 53 15.056 3.754 -7.350 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.600 4.734 -6.436 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.690 4.483 -8.518 1.00 0.00 C ATOM 0 H THR B 53 14.063 1.906 -5.878 1.00 0.00 H new ATOM 0 HA THR B 53 13.115 3.425 -8.200 1.00 0.00 H new ATOM 0 HB THR B 53 15.806 3.104 -6.899 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.151 4.296 -5.684 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.493 5.124 -8.154 1.00 0.00 H new ATOM 0 HG22 THR B 53 16.096 3.757 -9.223 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.938 5.093 -9.018 1.00 0.00 H new ATOM 1696 N VAL B 54 13.838 1.896 -10.000 1.00 0.00 N ATOM 1697 CA VAL B 54 14.216 0.981 -11.071 1.00 0.00 C ATOM 1698 C VAL B 54 15.611 1.295 -11.592 1.00 0.00 C ATOM 1699 O VAL B 54 16.097 2.419 -11.464 1.00 0.00 O ATOM 1700 CB VAL B 54 13.224 1.031 -12.251 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.444 -0.153 -13.178 1.00 0.00 C ATOM 1702 CG2 VAL B 54 11.785 1.066 -11.753 1.00 0.00 C ATOM 0 H VAL B 54 13.128 2.582 -10.258 1.00 0.00 H new ATOM 0 HA VAL B 54 14.199 -0.020 -10.640 1.00 0.00 H new ATOM 0 HB VAL B 54 13.406 1.948 -12.811 1.00 0.00 H new ATOM 0 HG11 VAL B 54 12.736 -0.104 -14.006 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.461 -0.125 -13.568 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.292 -1.080 -12.626 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.106 1.101 -12.605 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.582 0.172 -11.164 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.636 1.950 -11.134 1.00 0.00 H new ATOM 1712 N THR B 55 16.251 0.293 -12.181 1.00 0.00 N ATOM 1713 CA THR B 55 17.594 0.457 -12.727 1.00 0.00 C ATOM 1714 C THR B 55 17.814 -0.475 -13.914 1.00 0.00 C ATOM 1715 O THR B 55 17.870 -0.034 -15.061 1.00 0.00 O ATOM 1716 CB THR B 55 18.643 0.193 -11.643 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.455 1.064 -10.542 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.066 0.370 -12.128 1.00 0.00 C ATOM 0 H THR B 55 15.862 -0.643 -12.293 1.00 0.00 H new ATOM 0 HA THR B 55 17.699 1.485 -13.075 1.00 0.00 H new ATOM 0 HB THR B 55 18.502 -0.849 -11.354 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.220 0.992 -9.934 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.757 0.168 -11.310 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.260 -0.323 -12.947 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.207 1.393 -12.477 1.00 0.00 H new ATOM 1726 N GLU B 56 17.931 -1.763 -13.626 1.00 0.00 N ATOM 1727 CA GLU B 56 18.139 -2.767 -14.666 1.00 0.00 C ATOM 1728 C GLU B 56 19.412 -2.482 -15.457 1.00 0.00 C ATOM 1729 O GLU B 56 19.645 -3.173 -16.471 1.00 0.00 O ATOM 1730 CB GLU B 56 16.936 -2.810 -15.609 1.00 0.00 C ATOM 1731 CG GLU B 56 15.599 -2.859 -14.887 1.00 0.00 C ATOM 1732 CD GLU B 56 14.421 -2.741 -15.833 1.00 0.00 C ATOM 1733 OE1 GLU B 56 14.518 -3.249 -16.969 1.00 0.00 O ATOM 1734 OE2 GLU B 56 13.400 -2.142 -15.438 1.00 0.00 O ATOM 1735 OXT GLU B 56 20.167 -1.572 -15.055 1.00 0.00 O ATOM 0 H GLU B 56 17.886 -2.141 -12.680 1.00 0.00 H new ATOM 0 HA GLU B 56 18.248 -3.737 -14.181 1.00 0.00 H new ATOM 0 HB2 GLU B 56 16.959 -1.932 -16.254 1.00 0.00 H new ATOM 0 HB3 GLU B 56 17.023 -3.683 -16.256 1.00 0.00 H new ATOM 0 HG2 GLU B 56 15.523 -3.795 -14.333 1.00 0.00 H new ATOM 0 HG3 GLU B 56 15.555 -2.052 -14.156 1.00 0.00 H new ATOM 1743 N MET C 1 5.424 -0.692 8.187 1.00 0.00 N ATOM 1744 CA MET C 1 6.068 0.200 7.187 1.00 0.00 C ATOM 1745 C MET C 1 5.270 0.239 5.890 1.00 0.00 C ATOM 1746 O MET C 1 4.760 -0.782 5.432 1.00 0.00 O ATOM 1747 CB MET C 1 7.487 -0.309 6.921 1.00 0.00 C ATOM 1748 CG MET C 1 8.528 0.267 7.869 1.00 0.00 C ATOM 1749 SD MET C 1 9.499 1.591 7.123 1.00 0.00 S ATOM 1750 CE MET C 1 8.207 2.583 6.380 1.00 0.00 C ATOM 0 H1 MET C 1 5.818 -0.498 9.130 1.00 0.00 H new ATOM 0 H2 MET C 1 4.399 -0.518 8.198 1.00 0.00 H new ATOM 0 H3 MET C 1 5.604 -1.684 7.934 1.00 0.00 H new ATOM 0 HA MET C 1 6.102 1.215 7.582 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.495 -1.396 7.002 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.766 -0.064 5.896 1.00 0.00 H new ATOM 0 HG2 MET C 1 8.029 0.647 8.761 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.198 -0.530 8.193 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.636 3.504 5.987 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.741 2.025 5.568 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.456 2.825 7.132 1.00 0.00 H new ATOM 1762 N GLN C 2 5.173 1.427 5.300 1.00 0.00 N ATOM 1763 CA GLN C 2 4.440 1.602 4.051 1.00 0.00 C ATOM 1764 C GLN C 2 5.358 1.382 2.856 1.00 0.00 C ATOM 1765 O GLN C 2 6.391 2.040 2.725 1.00 0.00 O ATOM 1766 CB GLN C 2 3.823 3.001 3.986 1.00 0.00 C ATOM 1767 CG GLN C 2 2.660 3.106 3.013 1.00 0.00 C ATOM 1768 CD GLN C 2 1.803 4.332 3.259 1.00 0.00 C ATOM 1769 OE1 GLN C 2 0.630 4.221 3.616 1.00 0.00 O ATOM 1770 NE2 GLN C 2 2.386 5.510 3.066 1.00 0.00 N ATOM 0 H GLN C 2 5.592 2.282 5.667 1.00 0.00 H new ATOM 0 HA GLN C 2 3.640 0.862 4.018 1.00 0.00 H new ATOM 0 HB2 GLN C 2 3.481 3.285 4.981 1.00 0.00 H new ATOM 0 HB3 GLN C 2 4.593 3.716 3.698 1.00 0.00 H new ATOM 0 HG2 GLN C 2 3.045 3.135 1.994 1.00 0.00 H new ATOM 0 HG3 GLN C 2 2.041 2.212 3.094 1.00 0.00 H new ATOM 0 HE21 GLN C 2 3.361 5.554 2.770 1.00 0.00 H new ATOM 0 HE22 GLN C 2 1.859 6.370 3.214 1.00 0.00 H new ATOM 1779 N TYR C 3 4.983 0.446 1.988 1.00 0.00 N ATOM 1780 CA TYR C 3 5.785 0.135 0.812 1.00 0.00 C ATOM 1781 C TYR C 3 5.100 0.570 -0.482 1.00 0.00 C ATOM 1782 O TYR C 3 3.914 0.312 -0.698 1.00 0.00 O ATOM 1783 CB TYR C 3 6.100 -1.359 0.761 1.00 0.00 C ATOM 1784 CG TYR C 3 7.252 -1.759 1.655 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.565 -1.515 1.272 1.00 0.00 C ATOM 1786 CD2 TYR C 3 7.029 -2.375 2.879 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.624 -1.876 2.084 1.00 0.00 C ATOM 1788 CE2 TYR C 3 8.082 -2.738 3.698 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.377 -2.486 3.295 1.00 0.00 C ATOM 1790 OH TYR C 3 10.428 -2.846 4.106 1.00 0.00 O ATOM 0 H TYR C 3 4.131 -0.108 2.078 1.00 0.00 H new ATOM 0 HA TYR C 3 6.715 0.698 0.898 1.00 0.00 H new ATOM 0 HB2 TYR C 3 5.212 -1.920 1.051 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.332 -1.639 -0.266 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.762 -1.035 0.324 1.00 0.00 H new ATOM 0 HD2 TYR C 3 6.016 -2.574 3.197 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.639 -1.681 1.771 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.892 -3.216 4.648 1.00 0.00 H new ATOM 0 HH TYR C 3 11.161 -3.194 3.556 1.00 0.00 H new ATOM 1800 N LYS C 4 5.877 1.235 -1.331 1.00 0.00 N ATOM 1801 CA LYS C 4 5.383 1.724 -2.614 1.00 0.00 C ATOM 1802 C LYS C 4 5.927 0.885 -3.769 1.00 0.00 C ATOM 1803 O LYS C 4 7.132 0.656 -3.870 1.00 0.00 O ATOM 1804 CB LYS C 4 5.769 3.193 -2.807 1.00 0.00 C ATOM 1805 CG LYS C 4 4.700 4.168 -2.341 1.00 0.00 C ATOM 1806 CD LYS C 4 5.258 5.572 -2.178 1.00 0.00 C ATOM 1807 CE LYS C 4 5.104 6.384 -3.454 1.00 0.00 C ATOM 1808 NZ LYS C 4 5.724 7.732 -3.334 1.00 0.00 N ATOM 0 H LYS C 4 6.858 1.449 -1.152 1.00 0.00 H new ATOM 0 HA LYS C 4 4.296 1.638 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS C 4 6.693 3.392 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS C 4 5.976 3.370 -3.862 1.00 0.00 H new ATOM 0 HG2 LYS C 4 3.881 4.182 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS C 4 4.285 3.828 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS C 4 4.744 6.076 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS C 4 6.312 5.517 -1.906 1.00 0.00 H new ATOM 0 HE2 LYS C 4 5.563 5.846 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS C 4 4.045 6.491 -3.690 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 6.357 7.896 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 4.979 8.457 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 6.270 7.786 -2.450 1.00 0.00 H new ATOM 1822 N VAL C 5 5.026 0.434 -4.637 1.00 0.00 N ATOM 1823 CA VAL C 5 5.410 -0.377 -5.790 1.00 0.00 C ATOM 1824 C VAL C 5 4.566 -0.018 -7.007 1.00 0.00 C ATOM 1825 O VAL C 5 3.337 -0.087 -6.963 1.00 0.00 O ATOM 1826 CB VAL C 5 5.261 -1.883 -5.498 1.00 0.00 C ATOM 1827 CG1 VAL C 5 5.850 -2.710 -6.632 1.00 0.00 C ATOM 1828 CG2 VAL C 5 5.920 -2.239 -4.173 1.00 0.00 C ATOM 0 H VAL C 5 4.025 0.616 -4.565 1.00 0.00 H new ATOM 0 HA VAL C 5 6.459 -0.163 -5.997 1.00 0.00 H new ATOM 0 HB VAL C 5 4.198 -2.115 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL C 5 5.735 -3.770 -6.407 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.329 -2.478 -7.561 1.00 0.00 H new ATOM 0 HG13 VAL C 5 6.909 -2.475 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL C 5 5.804 -3.306 -3.984 1.00 0.00 H new ATOM 0 HG22 VAL C 5 6.981 -1.991 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.448 -1.675 -3.369 1.00 0.00 H new ATOM 1838 N ILE C 6 5.227 0.365 -8.095 1.00 0.00 N ATOM 1839 CA ILE C 6 4.529 0.735 -9.321 1.00 0.00 C ATOM 1840 C ILE C 6 4.461 -0.434 -10.303 1.00 0.00 C ATOM 1841 O ILE C 6 5.487 -0.907 -10.794 1.00 0.00 O ATOM 1842 CB ILE C 6 5.213 1.932 -10.014 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.435 3.069 -9.016 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.381 2.414 -11.194 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.457 4.086 -9.475 1.00 0.00 C ATOM 0 H ILE C 6 6.243 0.427 -8.153 1.00 0.00 H new ATOM 0 HA ILE C 6 3.516 1.015 -9.031 1.00 0.00 H new ATOM 0 HB ILE C 6 6.183 1.605 -10.389 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.486 3.575 -8.837 1.00 0.00 H new ATOM 0 HG13 ILE C 6 5.756 2.648 -8.063 1.00 0.00 H new ATOM 0 HG21 ILE C 6 4.880 3.258 -11.670 1.00 0.00 H new ATOM 0 HG22 ILE C 6 4.270 1.605 -11.916 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.397 2.725 -10.843 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.563 4.863 -8.718 1.00 0.00 H new ATOM 0 HD12 ILE C 6 7.418 3.594 -9.626 1.00 0.00 H new ATOM 0 HD13 ILE C 6 6.128 4.535 -10.412 1.00 0.00 H new ATOM 1857 N LEU C 7 3.244 -0.880 -10.604 1.00 0.00 N ATOM 1858 CA LEU C 7 3.039 -1.973 -11.549 1.00 0.00 C ATOM 1859 C LEU C 7 2.497 -1.420 -12.866 1.00 0.00 C ATOM 1860 O LEU C 7 1.456 -0.766 -12.887 1.00 0.00 O ATOM 1861 CB LEU C 7 2.071 -3.015 -10.970 1.00 0.00 C ATOM 1862 CG LEU C 7 2.738 -4.203 -10.261 1.00 0.00 C ATOM 1863 CD1 LEU C 7 2.735 -3.994 -8.754 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.042 -5.514 -10.621 1.00 0.00 C ATOM 0 H LEU C 7 2.385 -0.501 -10.207 1.00 0.00 H new ATOM 0 HA LEU C 7 3.995 -2.463 -11.733 1.00 0.00 H new ATOM 0 HB2 LEU C 7 1.406 -2.517 -10.264 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.448 -3.398 -11.778 1.00 0.00 H new ATOM 0 HG LEU C 7 3.772 -4.264 -10.601 1.00 0.00 H new ATOM 0 HD11 LEU C 7 3.211 -4.845 -8.268 1.00 0.00 H new ATOM 0 HD12 LEU C 7 3.284 -3.084 -8.512 1.00 0.00 H new ATOM 0 HD13 LEU C 7 1.708 -3.903 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU C 7 2.533 -6.340 -10.106 1.00 0.00 H new ATOM 0 HD22 LEU C 7 0.997 -5.467 -10.316 1.00 0.00 H new ATOM 0 HD23 LEU C 7 2.099 -5.672 -11.698 1.00 0.00 H new ATOM 2079 N ASP C 22 0.938 -6.503 -14.505 1.00 0.00 N ATOM 2080 CA ASP C 22 -0.477 -6.143 -14.474 1.00 0.00 C ATOM 2081 C ASP C 22 -0.953 -5.807 -13.069 1.00 0.00 C ATOM 2082 O ASP C 22 -0.611 -6.482 -12.103 1.00 0.00 O ATOM 2083 CB ASP C 22 -1.309 -7.296 -15.032 1.00 0.00 C ATOM 2084 CG ASP C 22 -2.755 -6.908 -15.269 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -3.540 -6.918 -14.295 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -3.104 -6.594 -16.427 1.00 0.00 O ATOM 0 HA ASP C 22 -0.604 -5.251 -15.088 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.869 -7.636 -15.970 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -1.271 -8.136 -14.339 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.746 -4.750 -12.970 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.289 -4.301 -11.693 1.00 0.00 C ATOM 2093 C ALA C 23 -2.833 -5.471 -10.864 1.00 0.00 C ATOM 2094 O ALA C 23 -2.587 -5.561 -9.658 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.370 -3.270 -11.961 1.00 0.00 C ATOM 0 H ALA C 23 -2.031 -4.181 -13.767 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.490 -3.851 -11.104 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.786 -2.925 -11.015 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.941 -2.425 -12.499 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -4.160 -3.719 -12.562 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.566 -6.367 -11.521 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.138 -7.536 -10.855 1.00 0.00 C ATOM 2103 C ALA C 24 -3.046 -8.502 -10.390 1.00 0.00 C ATOM 2104 O ALA C 24 -3.251 -9.276 -9.455 1.00 0.00 O ATOM 2105 CB ALA C 24 -5.112 -8.244 -11.784 1.00 0.00 C ATOM 0 H ALA C 24 -3.779 -6.306 -12.517 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.676 -7.192 -9.972 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.532 -9.113 -11.277 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.916 -7.560 -12.058 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.588 -8.567 -12.683 1.00 0.00 H new ATOM 2111 N THR C 25 -1.888 -8.451 -11.047 1.00 0.00 N ATOM 2112 CA THR C 25 -0.764 -9.319 -10.700 1.00 0.00 C ATOM 2113 C THR C 25 -0.324 -9.065 -9.263 1.00 0.00 C ATOM 2114 O THR C 25 -0.026 -9.997 -8.516 1.00 0.00 O ATOM 2115 CB THR C 25 0.404 -9.062 -11.661 1.00 0.00 C ATOM 2116 OG1 THR C 25 0.025 -9.335 -12.997 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.635 -9.883 -11.367 1.00 0.00 C ATOM 0 H THR C 25 -1.704 -7.816 -11.824 1.00 0.00 H new ATOM 0 HA THR C 25 -1.079 -10.359 -10.789 1.00 0.00 H new ATOM 0 HB THR C 25 0.652 -8.010 -11.518 1.00 0.00 H new ATOM 0 HG1 THR C 25 0.783 -9.163 -13.594 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.414 -9.643 -12.091 1.00 0.00 H new ATOM 0 HG22 THR C 25 1.991 -9.657 -10.362 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.390 -10.943 -11.436 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.315 -7.796 -8.881 1.00 0.00 N ATOM 2126 CA PHE C 26 0.054 -7.414 -7.528 1.00 0.00 C ATOM 2127 C PHE C 26 -1.004 -7.876 -6.533 1.00 0.00 C ATOM 2128 O PHE C 26 -0.691 -8.445 -5.490 1.00 0.00 O ATOM 2129 CB PHE C 26 0.245 -5.900 -7.421 1.00 0.00 C ATOM 2130 CG PHE C 26 0.971 -5.487 -6.172 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.287 -5.864 -5.964 1.00 0.00 C ATOM 2132 CD2 PHE C 26 0.335 -4.725 -5.205 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.957 -5.491 -4.814 1.00 0.00 C ATOM 2134 CE2 PHE C 26 0.999 -4.349 -4.053 1.00 0.00 C ATOM 2135 CZ PHE C 26 2.312 -4.733 -3.857 1.00 0.00 C ATOM 0 H PHE C 26 -0.559 -7.015 -9.490 1.00 0.00 H new ATOM 0 HA PHE C 26 1.000 -7.901 -7.289 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.799 -5.547 -8.291 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -0.730 -5.414 -7.446 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.796 -6.457 -6.709 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -0.691 -4.422 -5.353 1.00 0.00 H new ATOM 0 HE1 PHE C 26 3.983 -5.792 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.492 -3.756 -3.306 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.833 -4.441 -2.957 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.264 -7.608 -6.864 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.385 -7.973 -6.004 1.00 0.00 C ATOM 2147 C GLU C 27 -3.387 -9.463 -5.661 1.00 0.00 C ATOM 2148 O GLU C 27 -3.477 -9.837 -4.492 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.707 -7.597 -6.677 1.00 0.00 C ATOM 2150 CG GLU C 27 -4.868 -6.104 -6.910 1.00 0.00 C ATOM 2151 CD GLU C 27 -5.990 -5.781 -7.877 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -7.129 -6.235 -7.638 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -5.730 -5.073 -8.873 1.00 0.00 O ATOM 0 H GLU C 27 -2.535 -7.137 -7.727 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.273 -7.419 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -4.779 -8.115 -7.633 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -5.533 -7.951 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -5.061 -5.610 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -3.933 -5.698 -7.296 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.319 -10.307 -6.684 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.348 -11.754 -6.484 1.00 0.00 C ATOM 2162 C LYS C 28 -2.098 -12.268 -5.770 1.00 0.00 C ATOM 2163 O LYS C 28 -2.199 -13.040 -4.816 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.504 -12.467 -7.828 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.854 -13.941 -7.698 1.00 0.00 C ATOM 2166 CD LYS C 28 -3.899 -14.626 -9.054 1.00 0.00 C ATOM 2167 CE LYS C 28 -5.180 -14.297 -9.803 1.00 0.00 C ATOM 2168 NZ LYS C 28 -5.383 -15.190 -10.976 1.00 0.00 N ATOM 0 H LYS C 28 -3.244 -10.017 -7.659 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.204 -11.973 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.281 -11.967 -8.407 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.575 -12.371 -8.391 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -3.118 -14.436 -7.064 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.821 -14.044 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -3.039 -14.316 -9.648 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -3.822 -15.705 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -6.030 -14.388 -9.126 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -5.149 -13.260 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -6.267 -14.933 -11.459 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -4.585 -15.085 -11.635 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -5.439 -16.178 -10.655 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.922 -11.853 -6.232 1.00 0.00 N ATOM 2183 CA VAL C 29 0.333 -12.292 -5.626 1.00 0.00 C ATOM 2184 C VAL C 29 0.469 -11.828 -4.178 1.00 0.00 C ATOM 2185 O VAL C 29 0.921 -12.584 -3.319 1.00 0.00 O ATOM 2186 CB VAL C 29 1.553 -11.788 -6.432 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.861 -12.265 -5.803 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.456 -12.243 -7.880 1.00 0.00 C ATOM 0 H VAL C 29 -0.811 -11.216 -7.021 1.00 0.00 H new ATOM 0 HA VAL C 29 0.311 -13.382 -5.641 1.00 0.00 H new ATOM 0 HB VAL C 29 1.549 -10.698 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.702 -11.896 -6.390 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.935 -11.885 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.880 -13.355 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.322 -11.880 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.431 -13.332 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.546 -11.843 -8.327 1.00 0.00 H new ATOM 2198 N VAL C 30 0.093 -10.582 -3.913 1.00 0.00 N ATOM 2199 CA VAL C 30 0.199 -10.030 -2.567 1.00 0.00 C ATOM 2200 C VAL C 30 -0.801 -10.668 -1.610 1.00 0.00 C ATOM 2201 O VAL C 30 -0.439 -11.055 -0.499 1.00 0.00 O ATOM 2202 CB VAL C 30 0.030 -8.493 -2.566 1.00 0.00 C ATOM 2203 CG1 VAL C 30 0.150 -7.923 -1.157 1.00 0.00 C ATOM 2204 CG2 VAL C 30 1.058 -7.850 -3.485 1.00 0.00 C ATOM 0 H VAL C 30 -0.286 -9.938 -4.607 1.00 0.00 H new ATOM 0 HA VAL C 30 1.203 -10.266 -2.215 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.970 -8.264 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.027 -6.841 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.623 -8.357 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL C 30 1.132 -8.164 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.928 -6.768 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL C 30 2.061 -8.098 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.922 -8.223 -4.500 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.054 -10.792 -2.034 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.073 -11.399 -1.191 1.00 0.00 C ATOM 2216 C LYS C 31 -2.731 -12.856 -0.907 1.00 0.00 C ATOM 2217 O LYS C 31 -2.810 -13.315 0.231 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.444 -11.302 -1.865 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.575 -11.905 -1.045 1.00 0.00 C ATOM 2220 CD LYS C 31 -6.748 -12.304 -1.927 1.00 0.00 C ATOM 2221 CE LYS C 31 -8.009 -12.525 -1.108 1.00 0.00 C ATOM 2222 NZ LYS C 31 -9.185 -12.826 -1.972 1.00 0.00 N ATOM 0 H LYS C 31 -2.385 -10.483 -2.948 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.106 -10.859 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.669 -10.254 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.400 -11.805 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.210 -12.779 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.908 -11.185 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -6.927 -11.527 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -6.502 -13.216 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -7.850 -13.348 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -8.215 -11.637 -0.511 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -10.025 -12.970 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.352 -12.030 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -8.999 -13.688 -2.523 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.334 -13.574 -1.948 1.00 0.00 N ATOM 2237 CA GLN C 32 -1.968 -14.976 -1.809 1.00 0.00 C ATOM 2238 C GLN C 32 -0.758 -15.140 -0.895 1.00 0.00 C ATOM 2239 O GLN C 32 -0.751 -15.994 -0.009 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.675 -15.588 -3.179 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.417 -17.085 -3.133 1.00 0.00 C ATOM 2242 CD GLN C 32 -2.696 -17.895 -3.050 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -3.600 -17.734 -3.870 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -2.778 -18.771 -2.054 1.00 0.00 N ATOM 0 H GLN C 32 -2.257 -13.209 -2.897 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.811 -15.499 -1.358 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.517 -15.393 -3.843 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.807 -15.091 -3.612 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -0.861 -17.382 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -0.789 -17.315 -2.272 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -2.004 -18.871 -1.398 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -3.615 -19.344 -1.946 1.00 0.00 H new ATOM 2253 N PHE C 33 0.267 -14.317 -1.110 1.00 0.00 N ATOM 2254 CA PHE C 33 1.480 -14.363 -0.302 1.00 0.00 C ATOM 2255 C PHE C 33 1.231 -13.915 1.140 1.00 0.00 C ATOM 2256 O PHE C 33 1.680 -14.567 2.085 1.00 0.00 O ATOM 2257 CB PHE C 33 2.574 -13.531 -1.005 1.00 0.00 C ATOM 2258 CG PHE C 33 3.684 -13.019 -0.129 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.475 -13.874 0.621 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.951 -11.659 -0.087 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.504 -13.377 1.405 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.974 -11.159 0.690 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.750 -12.015 1.440 1.00 0.00 C ATOM 0 H PHE C 33 0.279 -13.607 -1.842 1.00 0.00 H new ATOM 0 HA PHE C 33 1.822 -15.395 -0.222 1.00 0.00 H new ATOM 0 HB2 PHE C 33 3.014 -14.141 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE C 33 2.098 -12.678 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.288 -14.937 0.594 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.348 -10.981 -0.672 1.00 0.00 H new ATOM 0 HE1 PHE C 33 6.113 -14.051 1.988 1.00 0.00 H new ATOM 0 HE2 PHE C 33 5.167 -10.097 0.711 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.548 -11.625 2.054 1.00 0.00 H new ATOM 2273 N PHE C 34 0.523 -12.802 1.311 1.00 0.00 N ATOM 2274 CA PHE C 34 0.235 -12.284 2.645 1.00 0.00 C ATOM 2275 C PHE C 34 -0.849 -13.078 3.377 1.00 0.00 C ATOM 2276 O PHE C 34 -0.795 -13.216 4.599 1.00 0.00 O ATOM 2277 CB PHE C 34 -0.093 -10.791 2.587 1.00 0.00 C ATOM 2278 CG PHE C 34 1.156 -9.958 2.529 1.00 0.00 C ATOM 2279 CD1 PHE C 34 1.810 -9.742 1.326 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.702 -9.429 3.689 1.00 0.00 C ATOM 2281 CE1 PHE C 34 2.985 -9.017 1.282 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.872 -8.697 3.648 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.517 -8.494 2.445 1.00 0.00 C ATOM 0 H PHE C 34 0.140 -12.244 0.548 1.00 0.00 H new ATOM 0 HA PHE C 34 1.142 -12.412 3.237 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.710 -10.586 1.712 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.679 -10.511 3.463 1.00 0.00 H new ATOM 0 HD1 PHE C 34 1.396 -10.145 0.413 1.00 0.00 H new ATOM 0 HD2 PHE C 34 1.207 -9.591 4.635 1.00 0.00 H new ATOM 0 HE1 PHE C 34 3.487 -8.859 0.339 1.00 0.00 H new ATOM 0 HE2 PHE C 34 3.282 -8.283 4.557 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.436 -7.927 2.413 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.820 -13.619 2.644 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.880 -14.415 3.270 1.00 0.00 C ATOM 2295 C ASN C 35 -2.293 -15.570 4.089 1.00 0.00 C ATOM 2296 O ASN C 35 -2.869 -15.992 5.092 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.861 -14.955 2.218 1.00 0.00 C ATOM 2298 CG ASN C 35 -4.938 -13.954 1.813 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -4.646 -12.658 1.897 1.00 0.00 O flip ATOM 2300 ND2 ASN C 35 -6.040 -14.351 1.434 1.00 0.00 N flip ATOM 0 H ASN C 35 -1.897 -13.525 1.631 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.427 -13.757 3.946 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.301 -15.252 1.331 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.340 -15.853 2.608 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -6.231 -15.352 1.381 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -6.762 -13.679 1.173 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.140 -16.065 3.653 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.448 -17.161 4.329 1.00 0.00 C ATOM 2309 C ASP C 36 -0.030 -16.789 5.758 1.00 0.00 C ATOM 2310 O ASP C 36 0.274 -17.667 6.566 1.00 0.00 O ATOM 2311 CB ASP C 36 0.778 -17.587 3.522 1.00 0.00 C ATOM 2312 CG ASP C 36 0.405 -18.267 2.219 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.326 -19.279 2.265 1.00 0.00 O ATOM 2314 OD2 ASP C 36 0.844 -17.787 1.153 1.00 0.00 O ATOM 0 H ASP C 36 -0.658 -15.720 2.823 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.149 -17.993 4.398 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.392 -16.712 3.309 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.386 -18.265 4.121 1.00 0.00 H new ATOM 2319 N ASN C 37 0.005 -15.490 6.063 1.00 0.00 N ATOM 2320 CA ASN C 37 0.405 -15.036 7.396 1.00 0.00 C ATOM 2321 C ASN C 37 -0.789 -14.549 8.219 1.00 0.00 C ATOM 2322 O ASN C 37 -0.720 -14.512 9.448 1.00 0.00 O ATOM 2323 CB ASN C 37 1.464 -13.935 7.300 1.00 0.00 C ATOM 2324 CG ASN C 37 0.946 -12.680 6.632 1.00 0.00 C ATOM 2325 OD1 ASN C 37 0.004 -12.050 7.112 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.564 -12.310 5.518 1.00 0.00 N ATOM 0 H ASN C 37 -0.236 -14.742 5.413 1.00 0.00 H new ATOM 0 HA ASN C 37 0.833 -15.896 7.911 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.817 -13.689 8.301 1.00 0.00 H new ATOM 0 HB3 ASN C 37 2.322 -14.310 6.742 1.00 0.00 H new ATOM 0 HD21 ASN C 37 1.262 -11.471 5.022 1.00 0.00 H new ATOM 0 HD22 ASN C 37 2.341 -12.864 5.158 1.00 0.00 H new ATOM 2333 N GLY C 38 -1.886 -14.190 7.550 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.067 -13.735 8.271 1.00 0.00 C ATOM 2335 C GLY C 38 -3.659 -12.433 7.744 1.00 0.00 C ATOM 2336 O GLY C 38 -4.497 -11.826 8.411 1.00 0.00 O ATOM 0 H GLY C 38 -1.978 -14.205 6.534 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -3.829 -14.513 8.224 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -2.809 -13.604 9.322 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.243 -12.002 6.556 1.00 0.00 N ATOM 2341 CA VAL C 39 -3.770 -10.769 5.978 1.00 0.00 C ATOM 2342 C VAL C 39 -5.016 -11.055 5.150 1.00 0.00 C ATOM 2343 O VAL C 39 -5.107 -12.087 4.483 1.00 0.00 O ATOM 2344 CB VAL C 39 -2.724 -10.059 5.092 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.240 -8.698 4.635 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.403 -9.917 5.835 1.00 0.00 C ATOM 0 H VAL C 39 -2.551 -12.482 5.980 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.024 -10.110 6.809 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.552 -10.670 4.206 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.488 -8.214 4.012 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.157 -8.831 4.060 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.445 -8.075 5.506 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.678 -9.414 5.195 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.556 -9.330 6.741 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.028 -10.905 6.102 1.00 0.00 H new ATOM 2356 N ASP C 40 -5.979 -10.141 5.198 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.222 -10.307 4.453 1.00 0.00 C ATOM 2358 C ASP C 40 -7.892 -8.959 4.198 1.00 0.00 C ATOM 2359 O ASP C 40 -7.367 -7.911 4.572 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.177 -11.226 5.217 1.00 0.00 C ATOM 2361 CG ASP C 40 -7.684 -12.659 5.269 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -7.382 -13.222 4.197 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -7.599 -13.216 6.383 1.00 0.00 O ATOM 0 H ASP C 40 -5.924 -9.280 5.743 1.00 0.00 H new ATOM 0 HA ASP C 40 -6.981 -10.759 3.491 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.303 -10.851 6.233 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.159 -11.199 4.744 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.054 -8.999 3.555 1.00 0.00 N ATOM 2369 CA GLY C 41 -9.784 -7.781 3.251 1.00 0.00 C ATOM 2370 C GLY C 41 -9.995 -7.594 1.761 1.00 0.00 C ATOM 2371 O GLY C 41 -10.181 -8.567 1.030 1.00 0.00 O ATOM 0 H GLY C 41 -9.505 -9.857 3.238 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -10.751 -7.805 3.753 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.240 -6.925 3.649 1.00 0.00 H new ATOM 2375 N GLU C 42 -9.970 -6.344 1.308 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.162 -6.044 -0.106 1.00 0.00 C ATOM 2377 C GLU C 42 -9.382 -4.797 -0.513 1.00 0.00 C ATOM 2378 O GLU C 42 -9.069 -3.947 0.322 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.649 -5.845 -0.409 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.442 -7.142 -0.431 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.715 -7.031 -1.247 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -14.579 -6.203 -0.888 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -13.848 -7.771 -2.243 1.00 0.00 O ATOM 0 H GLU C 42 -9.819 -5.526 1.898 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.787 -6.890 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.078 -5.179 0.339 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.752 -5.349 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -11.820 -7.937 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.693 -7.428 0.590 1.00 0.00 H new ATOM 2390 N TRP C 43 -9.071 -4.697 -1.801 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.328 -3.556 -2.323 1.00 0.00 C ATOM 2392 C TRP C 43 -9.201 -2.312 -2.367 1.00 0.00 C ATOM 2393 O TRP C 43 -10.201 -2.262 -3.084 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.781 -3.866 -3.717 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.601 -4.789 -3.696 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.613 -6.140 -3.892 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.234 -4.430 -3.463 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.339 -6.642 -3.795 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.474 -5.613 -3.532 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.579 -3.223 -3.204 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -3.093 -5.622 -3.350 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.208 -3.234 -3.023 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.479 -4.427 -3.097 1.00 0.00 C ATOM 0 H TRP C 43 -9.322 -5.393 -2.503 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.491 -3.364 -1.652 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.572 -4.312 -4.320 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.496 -2.933 -4.204 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.496 -6.728 -4.094 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -5.079 -7.622 -3.902 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -5.134 -2.298 -3.146 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.527 -6.540 -3.407 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.691 -2.307 -2.821 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.409 -4.403 -2.951 1.00 0.00 H new ATOM 2414 N THR C 44 -8.808 -1.305 -1.597 1.00 0.00 N ATOM 2415 CA THR C 44 -9.542 -0.052 -1.544 1.00 0.00 C ATOM 2416 C THR C 44 -8.738 1.067 -2.189 1.00 0.00 C ATOM 2417 O THR C 44 -7.527 1.172 -1.991 1.00 0.00 O ATOM 2418 CB THR C 44 -9.871 0.312 -0.097 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.684 0.514 0.650 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.689 -0.743 0.615 1.00 0.00 C ATOM 0 H THR C 44 -7.982 -1.334 -1.000 1.00 0.00 H new ATOM 0 HA THR C 44 -10.472 -0.179 -2.097 1.00 0.00 H new ATOM 0 HB THR C 44 -10.462 1.226 -0.155 1.00 0.00 H new ATOM 0 HG1 THR C 44 -7.910 0.483 0.049 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.887 -0.421 1.637 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.634 -0.887 0.090 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.136 -1.682 0.631 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.424 1.902 -2.949 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.785 3.025 -3.623 1.00 0.00 C ATOM 2430 C TYR C 45 -8.364 4.088 -2.615 1.00 0.00 C ATOM 2431 O TYR C 45 -9.062 4.338 -1.632 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.727 3.624 -4.666 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.763 2.841 -5.959 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.781 3.019 -6.927 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.771 1.920 -6.208 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.807 2.301 -8.107 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.803 1.197 -7.386 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.819 1.391 -8.332 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.845 0.673 -9.505 1.00 0.00 O ATOM 0 H TYR C 45 -10.427 1.826 -3.117 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.892 2.659 -4.129 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.734 3.673 -4.251 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.419 4.648 -4.878 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.986 3.729 -6.754 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.543 1.766 -5.469 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -8.038 2.452 -8.850 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.594 0.484 -7.564 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.622 0.075 -9.506 1.00 0.00 H new ATOM 2449 N ASP C 46 -7.213 4.707 -2.860 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.696 5.737 -1.968 1.00 0.00 C ATOM 2451 C ASP C 46 -7.521 7.017 -2.075 1.00 0.00 C ATOM 2452 O ASP C 46 -8.202 7.246 -3.075 1.00 0.00 O ATOM 2453 CB ASP C 46 -5.235 6.043 -2.305 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.279 5.017 -1.729 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -4.309 3.856 -2.187 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.500 5.377 -0.821 1.00 0.00 O ATOM 0 H ASP C 46 -6.622 4.513 -3.668 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.763 5.362 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -5.115 6.079 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.977 7.031 -1.923 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.460 7.845 -1.036 1.00 0.00 N ATOM 2462 CA ASP C 47 -8.205 9.100 -1.015 1.00 0.00 C ATOM 2463 C ASP C 47 -7.674 10.062 -2.075 1.00 0.00 C ATOM 2464 O ASP C 47 -6.465 10.253 -2.203 1.00 0.00 O ATOM 2465 CB ASP C 47 -8.115 9.747 0.368 1.00 0.00 C ATOM 2466 CG ASP C 47 -6.684 9.880 0.852 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -6.072 8.845 1.187 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -6.176 11.021 0.894 1.00 0.00 O ATOM 0 H ASP C 47 -6.904 7.670 -0.199 1.00 0.00 H new ATOM 0 HA ASP C 47 -9.249 8.880 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -8.578 10.733 0.335 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -8.683 9.152 1.082 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.588 10.656 -2.838 1.00 0.00 N ATOM 2474 CA ALA C 48 -8.217 11.590 -3.899 1.00 0.00 C ATOM 2475 C ALA C 48 -7.357 12.736 -3.373 1.00 0.00 C ATOM 2476 O ALA C 48 -7.585 13.251 -2.279 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.466 12.135 -4.575 1.00 0.00 C ATOM 0 H ALA C 48 -9.592 10.507 -2.742 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.621 11.042 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -9.179 12.830 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -10.035 11.311 -5.006 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -10.080 12.655 -3.840 1.00 0.00 H new ATOM 2483 N THR C 49 -6.369 13.129 -4.171 1.00 0.00 N ATOM 2484 CA THR C 49 -5.463 14.216 -3.808 1.00 0.00 C ATOM 2485 C THR C 49 -5.205 15.120 -5.010 1.00 0.00 C ATOM 2486 O THR C 49 -5.361 14.700 -6.156 1.00 0.00 O ATOM 2487 CB THR C 49 -4.141 13.651 -3.287 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.369 12.724 -2.240 1.00 0.00 O ATOM 2489 CG2 THR C 49 -3.202 14.715 -2.762 1.00 0.00 C ATOM 0 H THR C 49 -6.174 12.708 -5.079 1.00 0.00 H new ATOM 0 HA THR C 49 -5.931 14.806 -3.020 1.00 0.00 H new ATOM 0 HB THR C 49 -3.674 13.169 -4.146 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.511 12.373 -1.921 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.283 14.247 -2.408 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.966 15.419 -3.561 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.679 15.247 -1.939 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.819 16.366 -4.746 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.549 17.321 -5.817 1.00 0.00 C ATOM 2499 C LYS C 50 -3.153 17.925 -5.681 1.00 0.00 C ATOM 2500 O LYS C 50 -2.803 18.483 -4.640 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.599 18.434 -5.810 1.00 0.00 C ATOM 2502 CG LYS C 50 -7.006 17.943 -6.109 1.00 0.00 C ATOM 2503 CD LYS C 50 -8.036 19.040 -5.898 1.00 0.00 C ATOM 2504 CE LYS C 50 -9.452 18.493 -5.950 1.00 0.00 C ATOM 2505 NZ LYS C 50 -10.407 19.350 -5.194 1.00 0.00 N ATOM 0 H LYS C 50 -4.687 16.736 -3.805 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.598 16.784 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -5.593 18.922 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -5.322 19.188 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -7.057 17.588 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -7.240 17.094 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -7.866 19.520 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -7.913 19.807 -6.662 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -9.775 18.419 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -9.466 17.484 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -10.705 18.857 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -9.944 20.246 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -11.240 19.546 -5.785 1.00 0.00 H new ATOM 2519 N THR C 51 -2.364 17.809 -6.745 1.00 0.00 N ATOM 2520 CA THR C 51 -1.004 18.341 -6.763 1.00 0.00 C ATOM 2521 C THR C 51 -0.912 19.542 -7.707 1.00 0.00 C ATOM 2522 O THR C 51 -1.418 19.500 -8.830 1.00 0.00 O ATOM 2523 CB THR C 51 -0.019 17.235 -7.177 1.00 0.00 C ATOM 2524 OG1 THR C 51 0.092 16.268 -6.148 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.382 17.731 -7.479 1.00 0.00 C ATOM 0 H THR C 51 -2.645 17.349 -7.611 1.00 0.00 H new ATOM 0 HA THR C 51 -0.740 18.683 -5.762 1.00 0.00 H new ATOM 0 HB THR C 51 -0.435 16.817 -8.094 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.732 15.576 -6.417 1.00 0.00 H new ATOM 0 HG21 THR C 51 2.013 16.889 -7.763 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.345 18.449 -8.298 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.796 18.212 -6.593 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.265 20.611 -7.247 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.106 21.820 -8.053 1.00 0.00 C ATOM 2535 C PHE C 52 1.047 21.677 -9.041 1.00 0.00 C ATOM 2536 O PHE C 52 2.201 21.521 -8.641 1.00 0.00 O ATOM 2537 CB PHE C 52 0.133 23.039 -7.158 1.00 0.00 C ATOM 2538 CG PHE C 52 -0.026 24.349 -7.878 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -1.285 24.880 -8.108 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.083 25.047 -8.323 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -1.434 26.083 -8.771 1.00 0.00 C ATOM 2542 CE2 PHE C 52 0.942 26.252 -8.987 1.00 0.00 C ATOM 2543 CZ PHE C 52 -0.319 26.770 -9.211 1.00 0.00 C ATOM 0 H PHE C 52 0.158 20.665 -6.320 1.00 0.00 H new ATOM 0 HA PHE C 52 -1.029 21.963 -8.614 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.563 23.007 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE C 52 1.138 22.982 -6.740 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -2.160 24.347 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.071 24.646 -8.150 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -2.421 26.486 -8.945 1.00 0.00 H new ATOM 0 HE2 PHE C 52 1.816 26.787 -9.330 1.00 0.00 H new ATOM 0 HZ PHE C 52 -0.433 27.711 -9.729 1.00 0.00 H new ATOM 2553 N THR C 53 0.735 21.747 -10.331 1.00 0.00 N ATOM 2554 CA THR C 53 1.758 21.640 -11.365 1.00 0.00 C ATOM 2555 C THR C 53 2.273 23.025 -11.742 1.00 0.00 C ATOM 2556 O THR C 53 1.503 23.895 -12.152 1.00 0.00 O ATOM 2557 CB THR C 53 1.201 20.928 -12.603 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.776 19.618 -12.275 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.202 20.811 -13.735 1.00 0.00 C ATOM 0 H THR C 53 -0.213 21.877 -10.684 1.00 0.00 H new ATOM 0 HA THR C 53 2.586 21.051 -10.971 1.00 0.00 H new ATOM 0 HB THR C 53 0.369 21.547 -12.939 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.113 19.660 -11.554 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.740 20.297 -14.578 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.517 21.807 -14.046 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.070 20.245 -13.396 1.00 0.00 H new ATOM 2567 N VAL C 54 3.579 23.229 -11.594 1.00 0.00 N ATOM 2568 CA VAL C 54 4.187 24.512 -11.916 1.00 0.00 C ATOM 2569 C VAL C 54 4.226 24.738 -13.421 1.00 0.00 C ATOM 2570 O VAL C 54 4.203 23.788 -14.204 1.00 0.00 O ATOM 2571 CB VAL C 54 5.622 24.627 -11.362 1.00 0.00 C ATOM 2572 CG1 VAL C 54 6.098 26.070 -11.414 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.703 24.085 -9.941 1.00 0.00 C ATOM 0 H VAL C 54 4.233 22.524 -11.254 1.00 0.00 H new ATOM 0 HA VAL C 54 3.565 25.273 -11.444 1.00 0.00 H new ATOM 0 HB VAL C 54 6.278 24.024 -11.990 1.00 0.00 H new ATOM 0 HG11 VAL C 54 7.112 26.133 -11.019 1.00 0.00 H new ATOM 0 HG12 VAL C 54 6.088 26.419 -12.446 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.436 26.693 -10.813 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.725 24.178 -9.574 1.00 0.00 H new ATOM 0 HG22 VAL C 54 5.033 24.653 -9.296 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.409 23.035 -9.935 1.00 0.00 H new ATOM 2583 N THR C 55 4.288 26.003 -13.819 1.00 0.00 N ATOM 2584 CA THR C 55 4.333 26.359 -15.232 1.00 0.00 C ATOM 2585 C THR C 55 5.097 27.663 -15.440 1.00 0.00 C ATOM 2586 O THR C 55 6.217 27.665 -15.949 1.00 0.00 O ATOM 2587 CB THR C 55 2.914 26.480 -15.794 1.00 0.00 C ATOM 2588 OG1 THR C 55 2.206 25.265 -15.623 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.878 26.825 -17.267 1.00 0.00 C ATOM 0 H THR C 55 4.308 26.800 -13.183 1.00 0.00 H new ATOM 0 HA THR C 55 4.858 25.567 -15.767 1.00 0.00 H new ATOM 0 HB THR C 55 2.451 27.294 -15.236 1.00 0.00 H new ATOM 0 HG1 THR C 55 1.301 25.360 -15.986 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.842 26.895 -17.599 1.00 0.00 H new ATOM 0 HG22 THR C 55 3.376 27.781 -17.429 1.00 0.00 H new ATOM 0 HG23 THR C 55 3.389 26.048 -17.835 1.00 0.00 H new ATOM 2597 N GLU C 56 4.483 28.765 -15.036 1.00 0.00 N ATOM 2598 CA GLU C 56 5.100 30.081 -15.170 1.00 0.00 C ATOM 2599 C GLU C 56 5.417 30.392 -16.629 1.00 0.00 C ATOM 2600 O GLU C 56 6.084 31.418 -16.883 1.00 0.00 O ATOM 2601 CB GLU C 56 6.376 30.156 -14.330 1.00 0.00 C ATOM 2602 CG GLU C 56 6.199 29.645 -12.910 1.00 0.00 C ATOM 2603 CD GLU C 56 7.507 29.573 -12.148 1.00 0.00 C ATOM 2604 OE1 GLU C 56 8.374 30.445 -12.373 1.00 0.00 O ATOM 2605 OE2 GLU C 56 7.666 28.647 -11.326 1.00 0.00 O ATOM 2606 OXT GLU C 56 4.998 29.608 -17.506 1.00 0.00 O ATOM 0 H GLU C 56 3.556 28.776 -14.611 1.00 0.00 H new ATOM 0 HA GLU C 56 4.390 30.825 -14.808 1.00 0.00 H new ATOM 0 HB2 GLU C 56 7.159 29.578 -14.821 1.00 0.00 H new ATOM 0 HB3 GLU C 56 6.718 31.190 -14.295 1.00 0.00 H new ATOM 0 HG2 GLU C 56 5.508 30.298 -12.377 1.00 0.00 H new ATOM 0 HG3 GLU C 56 5.745 28.655 -12.938 1.00 0.00 H new ATOM 2614 N MET D 1 0.622 1.610 -12.256 1.00 0.00 N ATOM 2615 CA MET D 1 -0.218 1.927 -11.073 1.00 0.00 C ATOM 2616 C MET D 1 0.590 1.839 -9.783 1.00 0.00 C ATOM 2617 O MET D 1 1.413 0.941 -9.617 1.00 0.00 O ATOM 2618 CB MET D 1 -1.394 0.949 -11.031 1.00 0.00 C ATOM 2619 CG MET D 1 -2.606 1.420 -11.821 1.00 0.00 C ATOM 2620 SD MET D 1 -3.904 2.101 -10.770 1.00 0.00 S ATOM 2621 CE MET D 1 -2.951 3.185 -9.711 1.00 0.00 C ATOM 0 H1 MET D 1 0.070 1.760 -13.124 1.00 0.00 H new ATOM 0 H2 MET D 1 1.457 2.230 -12.265 1.00 0.00 H new ATOM 0 H3 MET D 1 0.929 0.617 -12.208 1.00 0.00 H new ATOM 0 HA MET D 1 -0.585 2.950 -11.159 1.00 0.00 H new ATOM 0 HB2 MET D 1 -1.068 -0.015 -11.422 1.00 0.00 H new ATOM 0 HB3 MET D 1 -1.687 0.790 -9.993 1.00 0.00 H new ATOM 0 HG2 MET D 1 -2.293 2.177 -12.541 1.00 0.00 H new ATOM 0 HG3 MET D 1 -3.009 0.584 -12.392 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.625 3.746 -9.064 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.271 2.591 -9.100 1.00 0.00 H new ATOM 0 HE3 MET D 1 -2.376 3.879 -10.324 1.00 0.00 H new ATOM 2633 N GLN D 2 0.339 2.774 -8.874 1.00 0.00 N ATOM 2634 CA GLN D 2 1.040 2.803 -7.595 1.00 0.00 C ATOM 2635 C GLN D 2 0.295 1.973 -6.556 1.00 0.00 C ATOM 2636 O GLN D 2 -0.884 2.208 -6.292 1.00 0.00 O ATOM 2637 CB GLN D 2 1.191 4.244 -7.103 1.00 0.00 C ATOM 2638 CG GLN D 2 2.315 4.426 -6.095 1.00 0.00 C ATOM 2639 CD GLN D 2 2.730 5.876 -5.944 1.00 0.00 C ATOM 2640 OE1 GLN D 2 3.863 6.245 -6.254 1.00 0.00 O ATOM 2641 NE2 GLN D 2 1.813 6.708 -5.462 1.00 0.00 N ATOM 0 H GLN D 2 -0.344 3.521 -8.998 1.00 0.00 H new ATOM 0 HA GLN D 2 2.031 2.373 -7.739 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.372 4.895 -7.959 1.00 0.00 H new ATOM 0 HB3 GLN D 2 0.253 4.565 -6.651 1.00 0.00 H new ATOM 0 HG2 GLN D 2 1.996 4.040 -5.127 1.00 0.00 H new ATOM 0 HG3 GLN D 2 3.177 3.835 -6.406 1.00 0.00 H new ATOM 0 HE21 GLN D 2 0.886 6.359 -5.218 1.00 0.00 H new ATOM 0 HE22 GLN D 2 2.036 7.695 -5.336 1.00 0.00 H new ATOM 2650 N TYR D 3 0.984 0.994 -5.979 1.00 0.00 N ATOM 2651 CA TYR D 3 0.377 0.124 -4.979 1.00 0.00 C ATOM 2652 C TYR D 3 0.952 0.359 -3.586 1.00 0.00 C ATOM 2653 O TYR D 3 2.167 0.429 -3.397 1.00 0.00 O ATOM 2654 CB TYR D 3 0.547 -1.343 -5.375 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.464 -1.809 -6.399 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.767 -2.113 -6.022 1.00 0.00 C ATOM 2657 CD2 TYR D 3 -0.119 -1.942 -7.737 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.697 -2.538 -6.951 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -1.045 -2.365 -8.673 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.332 -2.662 -8.274 1.00 0.00 C ATOM 2661 OH TYR D 3 -3.256 -3.083 -9.203 1.00 0.00 O ATOM 0 H TYR D 3 1.960 0.784 -6.186 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.685 0.369 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.551 -1.490 -5.773 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.463 -1.965 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -2.057 -2.015 -4.986 1.00 0.00 H new ATOM 0 HD2 TYR D 3 0.888 -1.712 -8.052 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.705 -2.772 -6.642 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.762 -2.462 -9.711 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.815 -3.787 -8.813 1.00 0.00 H new ATOM 2671 N LYS D 4 0.048 0.479 -2.618 1.00 0.00 N ATOM 2672 CA LYS D 4 0.425 0.707 -1.228 1.00 0.00 C ATOM 2673 C LYS D 4 0.223 -0.554 -0.392 1.00 0.00 C ATOM 2674 O LYS D 4 -0.843 -1.168 -0.418 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.389 1.862 -0.638 1.00 0.00 C ATOM 2676 CG LYS D 4 0.301 3.212 -0.753 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.675 4.358 -0.536 1.00 0.00 C ATOM 2678 CE LYS D 4 -0.725 4.776 0.925 1.00 0.00 C ATOM 2679 NZ LYS D 4 -1.738 5.841 1.163 1.00 0.00 N ATOM 0 H LYS D 4 -0.958 0.421 -2.774 1.00 0.00 H new ATOM 0 HA LYS D 4 1.483 0.969 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -1.353 1.912 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -0.590 1.654 0.413 1.00 0.00 H new ATOM 0 HG2 LYS D 4 1.105 3.274 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS D 4 0.759 3.305 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS D 4 -0.381 5.209 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS D 4 -1.670 4.057 -0.864 1.00 0.00 H new ATOM 0 HE2 LYS D 4 -0.958 3.909 1.543 1.00 0.00 H new ATOM 0 HE3 LYS D 4 0.257 5.133 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -2.279 5.620 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -1.258 6.756 1.281 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -2.386 5.892 0.351 1.00 0.00 H new ATOM 2693 N VAL D 5 1.259 -0.933 0.353 1.00 0.00 N ATOM 2694 CA VAL D 5 1.201 -2.116 1.202 1.00 0.00 C ATOM 2695 C VAL D 5 1.946 -1.879 2.510 1.00 0.00 C ATOM 2696 O VAL D 5 3.132 -1.549 2.507 1.00 0.00 O ATOM 2697 CB VAL D 5 1.803 -3.348 0.499 1.00 0.00 C ATOM 2698 CG1 VAL D 5 1.556 -4.607 1.317 1.00 0.00 C ATOM 2699 CG2 VAL D 5 1.233 -3.495 -0.903 1.00 0.00 C ATOM 0 H VAL D 5 2.149 -0.436 0.384 1.00 0.00 H new ATOM 0 HA VAL D 5 0.148 -2.308 1.409 1.00 0.00 H new ATOM 0 HB VAL D 5 2.880 -3.203 0.416 1.00 0.00 H new ATOM 0 HG11 VAL D 5 1.989 -5.465 0.803 1.00 0.00 H new ATOM 0 HG12 VAL D 5 2.019 -4.500 2.298 1.00 0.00 H new ATOM 0 HG13 VAL D 5 0.483 -4.759 1.436 1.00 0.00 H new ATOM 0 HG21 VAL D 5 1.670 -4.370 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL D 5 0.151 -3.615 -0.845 1.00 0.00 H new ATOM 0 HG23 VAL D 5 1.469 -2.605 -1.487 1.00 0.00 H new ATOM 2709 N ILE D 6 1.248 -2.047 3.629 1.00 0.00 N ATOM 2710 CA ILE D 6 1.855 -1.846 4.939 1.00 0.00 C ATOM 2711 C ILE D 6 2.332 -3.164 5.542 1.00 0.00 C ATOM 2712 O ILE D 6 1.529 -4.052 5.832 1.00 0.00 O ATOM 2713 CB ILE D 6 0.866 -1.174 5.916 1.00 0.00 C ATOM 2714 CG1 ILE D 6 0.254 0.072 5.278 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.564 -0.817 7.221 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -1.015 0.540 5.959 1.00 0.00 C ATOM 0 H ILE D 6 0.266 -2.321 3.655 1.00 0.00 H new ATOM 0 HA ILE D 6 2.714 -1.192 4.790 1.00 0.00 H new ATOM 0 HB ILE D 6 0.065 -1.879 6.138 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.987 0.879 5.300 1.00 0.00 H new ATOM 0 HG13 ILE D 6 0.039 -0.135 4.230 1.00 0.00 H new ATOM 0 HG21 ILE D 6 0.852 -0.344 7.897 1.00 0.00 H new ATOM 0 HG22 ILE D 6 1.957 -1.723 7.683 1.00 0.00 H new ATOM 0 HG23 ILE D 6 2.384 -0.128 7.018 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.393 1.428 5.453 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -1.765 -0.250 5.914 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -0.802 0.779 7.001 1.00 0.00 H new ATOM 2728 N LEU D 7 3.640 -3.276 5.753 1.00 0.00 N ATOM 2729 CA LEU D 7 4.217 -4.475 6.351 1.00 0.00 C ATOM 2730 C LEU D 7 4.583 -4.195 7.804 1.00 0.00 C ATOM 2731 O LEU D 7 5.370 -3.293 8.094 1.00 0.00 O ATOM 2732 CB LEU D 7 5.446 -4.946 5.559 1.00 0.00 C ATOM 2733 CG LEU D 7 5.158 -6.028 4.507 1.00 0.00 C ATOM 2734 CD1 LEU D 7 5.024 -5.407 3.124 1.00 0.00 C ATOM 2735 CD2 LEU D 7 6.246 -7.098 4.511 1.00 0.00 C ATOM 0 H LEU D 7 4.319 -2.552 5.519 1.00 0.00 H new ATOM 0 HA LEU D 7 3.478 -5.276 6.319 1.00 0.00 H new ATOM 0 HB2 LEU D 7 5.892 -4.085 5.061 1.00 0.00 H new ATOM 0 HB3 LEU D 7 6.188 -5.329 6.260 1.00 0.00 H new ATOM 0 HG LEU D 7 4.213 -6.506 4.764 1.00 0.00 H new ATOM 0 HD11 LEU D 7 4.820 -6.189 2.392 1.00 0.00 H new ATOM 0 HD12 LEU D 7 4.204 -4.689 3.126 1.00 0.00 H new ATOM 0 HD13 LEU D 7 5.952 -4.898 2.862 1.00 0.00 H new ATOM 0 HD21 LEU D 7 6.018 -7.852 3.757 1.00 0.00 H new ATOM 0 HD22 LEU D 7 7.209 -6.639 4.285 1.00 0.00 H new ATOM 0 HD23 LEU D 7 6.290 -7.569 5.493 1.00 0.00 H new ATOM 2950 N ASP D 22 7.773 -8.756 7.995 1.00 0.00 N ATOM 2951 CA ASP D 22 9.002 -7.980 8.142 1.00 0.00 C ATOM 2952 C ASP D 22 9.283 -7.122 6.915 1.00 0.00 C ATOM 2953 O ASP D 22 9.127 -7.564 5.782 1.00 0.00 O ATOM 2954 CB ASP D 22 10.179 -8.924 8.383 1.00 0.00 C ATOM 2955 CG ASP D 22 11.441 -8.189 8.787 1.00 0.00 C ATOM 2956 OD1 ASP D 22 12.144 -7.678 7.889 1.00 0.00 O ATOM 2957 OD2 ASP D 22 11.728 -8.125 10.001 1.00 0.00 O ATOM 0 HA ASP D 22 8.873 -7.313 8.994 1.00 0.00 H new ATOM 0 HB2 ASP D 22 9.914 -9.638 9.162 1.00 0.00 H new ATOM 0 HB3 ASP D 22 10.371 -9.498 7.477 1.00 0.00 H new ATOM 2962 N ALA D 23 9.700 -5.891 7.159 1.00 0.00 N ATOM 2963 CA ALA D 23 10.016 -4.948 6.091 1.00 0.00 C ATOM 2964 C ALA D 23 10.859 -5.600 4.987 1.00 0.00 C ATOM 2965 O ALA D 23 10.595 -5.415 3.796 1.00 0.00 O ATOM 2966 CB ALA D 23 10.733 -3.753 6.693 1.00 0.00 C ATOM 0 H ALA D 23 9.830 -5.515 8.098 1.00 0.00 H new ATOM 0 HA ALA D 23 9.089 -4.621 5.620 1.00 0.00 H new ATOM 0 HB1 ALA D 23 10.975 -3.040 5.905 1.00 0.00 H new ATOM 0 HB2 ALA D 23 10.088 -3.275 7.430 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.652 -4.086 7.177 1.00 0.00 H new ATOM 2972 N ALA D 24 11.867 -6.367 5.392 1.00 0.00 N ATOM 2973 CA ALA D 24 12.744 -7.055 4.446 1.00 0.00 C ATOM 2974 C ALA D 24 11.990 -8.137 3.672 1.00 0.00 C ATOM 2975 O ALA D 24 12.381 -8.507 2.566 1.00 0.00 O ATOM 2976 CB ALA D 24 13.934 -7.658 5.177 1.00 0.00 C ATOM 0 H ALA D 24 12.098 -6.529 6.372 1.00 0.00 H new ATOM 0 HA ALA D 24 13.104 -6.321 3.726 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.580 -8.168 4.462 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.495 -6.866 5.673 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.580 -8.373 5.920 1.00 0.00 H new ATOM 2982 N THR D 25 10.905 -8.641 4.261 1.00 0.00 N ATOM 2983 CA THR D 25 10.094 -9.679 3.628 1.00 0.00 C ATOM 2984 C THR D 25 9.528 -9.176 2.305 1.00 0.00 C ATOM 2985 O THR D 25 9.497 -9.899 1.309 1.00 0.00 O ATOM 2986 CB THR D 25 8.953 -10.091 4.565 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.462 -10.602 5.782 1.00 0.00 O ATOM 2988 CG2 THR D 25 8.027 -11.134 3.991 1.00 0.00 C ATOM 0 H THR D 25 10.568 -8.346 5.177 1.00 0.00 H new ATOM 0 HA THR D 25 10.724 -10.546 3.430 1.00 0.00 H new ATOM 0 HB THR D 25 8.381 -9.176 4.719 1.00 0.00 H new ATOM 0 HG1 THR D 25 8.718 -10.857 6.366 1.00 0.00 H new ATOM 0 HG21 THR D 25 7.249 -11.369 4.717 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.569 -10.751 3.079 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.593 -12.037 3.761 1.00 0.00 H new ATOM 2996 N PHE D 26 9.107 -7.918 2.302 1.00 0.00 N ATOM 2997 CA PHE D 26 8.572 -7.301 1.100 1.00 0.00 C ATOM 2998 C PHE D 26 9.673 -7.102 0.065 1.00 0.00 C ATOM 2999 O PHE D 26 9.503 -7.417 -1.111 1.00 0.00 O ATOM 3000 CB PHE D 26 7.911 -5.960 1.421 1.00 0.00 C ATOM 3001 CG PHE D 26 7.034 -5.456 0.311 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.892 -6.151 -0.056 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.355 -4.294 -0.372 1.00 0.00 C ATOM 3004 CE1 PHE D 26 5.086 -5.695 -1.081 1.00 0.00 C ATOM 3005 CE2 PHE D 26 6.553 -3.833 -1.398 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.416 -4.535 -1.754 1.00 0.00 C ATOM 0 H PHE D 26 9.126 -7.307 3.119 1.00 0.00 H new ATOM 0 HA PHE D 26 7.816 -7.970 0.689 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.316 -6.063 2.328 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.685 -5.221 1.629 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.629 -7.060 0.466 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.242 -3.742 -0.099 1.00 0.00 H new ATOM 0 HE1 PHE D 26 4.198 -6.245 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE D 26 6.814 -2.925 -1.922 1.00 0.00 H new ATOM 0 HZ PHE D 26 4.788 -4.177 -2.556 1.00 0.00 H new ATOM 3016 N GLU D 27 10.801 -6.563 0.518 1.00 0.00 N ATOM 3017 CA GLU D 27 11.939 -6.297 -0.358 1.00 0.00 C ATOM 3018 C GLU D 27 12.388 -7.547 -1.113 1.00 0.00 C ATOM 3019 O GLU D 27 12.537 -7.522 -2.336 1.00 0.00 O ATOM 3020 CB GLU D 27 13.106 -5.735 0.455 1.00 0.00 C ATOM 3021 CG GLU D 27 12.802 -4.397 1.109 1.00 0.00 C ATOM 3022 CD GLU D 27 13.805 -4.035 2.188 1.00 0.00 C ATOM 3023 OE1 GLU D 27 15.017 -4.017 1.890 1.00 0.00 O ATOM 3024 OE2 GLU D 27 13.377 -3.768 3.331 1.00 0.00 O ATOM 0 H GLU D 27 10.952 -6.300 1.492 1.00 0.00 H new ATOM 0 HA GLU D 27 11.617 -5.563 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.380 -6.454 1.227 1.00 0.00 H new ATOM 0 HB3 GLU D 27 13.972 -5.623 -0.197 1.00 0.00 H new ATOM 0 HG2 GLU D 27 12.796 -3.617 0.347 1.00 0.00 H new ATOM 0 HG3 GLU D 27 11.802 -4.427 1.542 1.00 0.00 H new ATOM 3031 N LYS D 28 12.636 -8.627 -0.381 1.00 0.00 N ATOM 3032 CA LYS D 28 13.106 -9.871 -0.987 1.00 0.00 C ATOM 3033 C LYS D 28 12.045 -10.524 -1.873 1.00 0.00 C ATOM 3034 O LYS D 28 12.337 -10.918 -3.002 1.00 0.00 O ATOM 3035 CB LYS D 28 13.544 -10.853 0.102 1.00 0.00 C ATOM 3036 CG LYS D 28 14.335 -12.038 -0.430 1.00 0.00 C ATOM 3037 CD LYS D 28 14.652 -13.036 0.671 1.00 0.00 C ATOM 3038 CE LYS D 28 15.803 -12.559 1.541 1.00 0.00 C ATOM 3039 NZ LYS D 28 16.325 -13.644 2.418 1.00 0.00 N ATOM 0 H LYS D 28 12.520 -8.668 0.632 1.00 0.00 H new ATOM 0 HA LYS D 28 13.954 -9.618 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.150 -10.322 0.836 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.661 -11.221 0.624 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.766 -12.532 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS D 28 15.263 -11.685 -0.880 1.00 0.00 H new ATOM 0 HD2 LYS D 28 13.767 -13.191 1.289 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.904 -14.000 0.228 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.607 -12.187 0.906 1.00 0.00 H new ATOM 0 HE3 LYS D 28 15.470 -11.723 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 17.109 -13.277 2.995 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 15.565 -13.982 3.042 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 16.667 -14.431 1.830 1.00 0.00 H new ATOM 3053 N VAL D 29 10.823 -10.647 -1.365 1.00 0.00 N ATOM 3054 CA VAL D 29 9.739 -11.265 -2.126 1.00 0.00 C ATOM 3055 C VAL D 29 9.395 -10.473 -3.387 1.00 0.00 C ATOM 3056 O VAL D 29 9.159 -11.054 -4.445 1.00 0.00 O ATOM 3057 CB VAL D 29 8.465 -11.422 -1.268 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.342 -12.081 -2.065 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.769 -12.219 -0.009 1.00 0.00 C ATOM 0 H VAL D 29 10.557 -10.329 -0.433 1.00 0.00 H new ATOM 0 HA VAL D 29 10.101 -12.250 -2.421 1.00 0.00 H new ATOM 0 HB VAL D 29 8.128 -10.427 -0.977 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.458 -12.179 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.103 -11.467 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.662 -13.069 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.861 -12.321 0.585 1.00 0.00 H new ATOM 0 HG22 VAL D 29 9.136 -13.208 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.529 -11.700 0.576 1.00 0.00 H new ATOM 3069 N VAL D 30 9.353 -9.151 -3.267 1.00 0.00 N ATOM 3070 CA VAL D 30 9.013 -8.299 -4.401 1.00 0.00 C ATOM 3071 C VAL D 30 10.115 -8.290 -5.454 1.00 0.00 C ATOM 3072 O VAL D 30 9.840 -8.436 -6.645 1.00 0.00 O ATOM 3073 CB VAL D 30 8.694 -6.853 -3.954 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.338 -5.970 -5.145 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.562 -6.855 -2.939 1.00 0.00 C ATOM 0 H VAL D 30 9.549 -8.648 -2.402 1.00 0.00 H new ATOM 0 HA VAL D 30 8.116 -8.726 -4.850 1.00 0.00 H new ATOM 0 HB VAL D 30 9.588 -6.439 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.119 -4.960 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.177 -5.940 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.463 -6.377 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.347 -5.832 -2.632 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.671 -7.294 -3.388 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.855 -7.441 -2.068 1.00 0.00 H new ATOM 3085 N LYS D 31 11.364 -8.133 -5.027 1.00 0.00 N ATOM 3086 CA LYS D 31 12.479 -8.122 -5.961 1.00 0.00 C ATOM 3087 C LYS D 31 12.595 -9.467 -6.666 1.00 0.00 C ATOM 3088 O LYS D 31 12.762 -9.533 -7.882 1.00 0.00 O ATOM 3089 CB LYS D 31 13.783 -7.798 -5.226 1.00 0.00 C ATOM 3090 CG LYS D 31 15.002 -7.755 -6.132 1.00 0.00 C ATOM 3091 CD LYS D 31 16.284 -7.994 -5.349 1.00 0.00 C ATOM 3092 CE LYS D 31 17.509 -7.563 -6.139 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.763 -7.730 -5.353 1.00 0.00 N ATOM 0 H LYS D 31 11.626 -8.013 -4.049 1.00 0.00 H new ATOM 0 HA LYS D 31 12.296 -7.351 -6.709 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.678 -6.835 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS D 31 13.946 -8.544 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS D 31 14.904 -8.510 -6.912 1.00 0.00 H new ATOM 0 HG3 LYS D 31 15.053 -6.787 -6.630 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.245 -7.444 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.366 -9.051 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS D 31 17.574 -8.149 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.402 -6.519 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.575 -7.425 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 18.712 -7.151 -4.490 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 18.879 -8.730 -5.093 1.00 0.00 H new ATOM 3107 N GLN D 32 12.495 -10.541 -5.894 1.00 0.00 N ATOM 3108 CA GLN D 32 12.578 -11.885 -6.446 1.00 0.00 C ATOM 3109 C GLN D 32 11.438 -12.150 -7.423 1.00 0.00 C ATOM 3110 O GLN D 32 11.656 -12.674 -8.515 1.00 0.00 O ATOM 3111 CB GLN D 32 12.558 -12.923 -5.324 1.00 0.00 C ATOM 3112 CG GLN D 32 12.778 -14.346 -5.810 1.00 0.00 C ATOM 3113 CD GLN D 32 14.239 -14.654 -6.070 1.00 0.00 C ATOM 3114 OE1 GLN D 32 15.090 -14.465 -5.201 1.00 0.00 O ATOM 3115 NE2 GLN D 32 14.538 -15.131 -7.273 1.00 0.00 N ATOM 0 H GLN D 32 12.356 -10.507 -4.884 1.00 0.00 H new ATOM 0 HA GLN D 32 13.519 -11.966 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.329 -12.673 -4.595 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.600 -12.868 -4.806 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.390 -15.044 -5.068 1.00 0.00 H new ATOM 0 HG3 GLN D 32 12.208 -14.505 -6.726 1.00 0.00 H new ATOM 0 HE21 GLN D 32 13.801 -15.272 -7.963 1.00 0.00 H new ATOM 0 HE22 GLN D 32 15.505 -15.356 -7.506 1.00 0.00 H new ATOM 3124 N PHE D 33 10.221 -11.784 -7.030 1.00 0.00 N ATOM 3125 CA PHE D 33 9.045 -11.974 -7.870 1.00 0.00 C ATOM 3126 C PHE D 33 9.071 -11.075 -9.112 1.00 0.00 C ATOM 3127 O PHE D 33 8.804 -11.537 -10.222 1.00 0.00 O ATOM 3128 CB PHE D 33 7.783 -11.763 -7.009 1.00 0.00 C ATOM 3129 CG PHE D 33 6.526 -11.397 -7.752 1.00 0.00 C ATOM 3130 CD1 PHE D 33 6.007 -12.206 -8.749 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.845 -10.238 -7.413 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.837 -11.854 -9.404 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.680 -9.884 -8.059 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.175 -10.688 -9.058 1.00 0.00 C ATOM 0 H PHE D 33 10.024 -11.351 -6.128 1.00 0.00 H new ATOM 0 HA PHE D 33 9.038 -12.993 -8.258 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.595 -12.678 -6.447 1.00 0.00 H new ATOM 0 HB3 PHE D 33 7.992 -10.979 -6.281 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.518 -13.119 -9.018 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.233 -9.603 -6.631 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.442 -12.489 -10.184 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.163 -8.977 -7.782 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.266 -10.409 -9.570 1.00 0.00 H new ATOM 3144 N PHE D 34 9.388 -9.799 -8.923 1.00 0.00 N ATOM 3145 CA PHE D 34 9.437 -8.856 -10.038 1.00 0.00 C ATOM 3146 C PHE D 34 10.678 -9.027 -10.917 1.00 0.00 C ATOM 3147 O PHE D 34 10.613 -8.814 -12.127 1.00 0.00 O ATOM 3148 CB PHE D 34 9.282 -7.419 -9.540 1.00 0.00 C ATOM 3149 CG PHE D 34 7.841 -7.073 -9.304 1.00 0.00 C ATOM 3150 CD1 PHE D 34 7.209 -7.427 -8.123 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.103 -6.433 -10.288 1.00 0.00 C ATOM 3152 CE1 PHE D 34 5.869 -7.153 -7.929 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.765 -6.149 -10.096 1.00 0.00 C ATOM 3154 CZ PHE D 34 5.146 -6.513 -8.917 1.00 0.00 C ATOM 0 H PHE D 34 9.614 -9.394 -8.015 1.00 0.00 H new ATOM 0 HA PHE D 34 8.589 -9.085 -10.683 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.845 -7.290 -8.615 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.708 -6.731 -10.271 1.00 0.00 H new ATOM 0 HD1 PHE D 34 7.770 -7.923 -7.345 1.00 0.00 H new ATOM 0 HD2 PHE D 34 7.580 -6.153 -11.216 1.00 0.00 H new ATOM 0 HE1 PHE D 34 5.387 -7.439 -7.006 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.204 -5.643 -10.867 1.00 0.00 H new ATOM 0 HZ PHE D 34 4.098 -6.298 -8.767 1.00 0.00 H new ATOM 3164 N ASN D 35 11.803 -9.425 -10.325 1.00 0.00 N ATOM 3165 CA ASN D 35 13.028 -9.637 -11.103 1.00 0.00 C ATOM 3166 C ASN D 35 12.792 -10.629 -12.245 1.00 0.00 C ATOM 3167 O ASN D 35 13.424 -10.542 -13.299 1.00 0.00 O ATOM 3168 CB ASN D 35 14.176 -10.118 -10.206 1.00 0.00 C ATOM 3169 CG ASN D 35 14.905 -8.991 -9.481 1.00 0.00 C ATOM 3170 OD1 ASN D 35 14.218 -7.884 -9.204 1.00 0.00 O flip ATOM 3171 ND2 ASN D 35 16.093 -9.113 -9.181 1.00 0.00 N flip ATOM 0 H ASN D 35 11.895 -9.605 -9.325 1.00 0.00 H new ATOM 0 HA ASN D 35 13.311 -8.678 -11.537 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.780 -10.816 -9.468 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.893 -10.670 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN D 35 16.590 -9.974 -9.408 1.00 0.00 H new ATOM 0 HD22 ASN D 35 16.580 -8.353 -8.706 1.00 0.00 H new ATOM 3178 N ASP D 36 11.875 -11.563 -12.024 1.00 0.00 N ATOM 3179 CA ASP D 36 11.529 -12.578 -13.018 1.00 0.00 C ATOM 3180 C ASP D 36 10.947 -11.963 -14.299 1.00 0.00 C ATOM 3181 O ASP D 36 10.894 -12.621 -15.337 1.00 0.00 O ATOM 3182 CB ASP D 36 10.538 -13.579 -12.426 1.00 0.00 C ATOM 3183 CG ASP D 36 11.168 -14.457 -11.362 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.175 -15.129 -11.667 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.654 -14.472 -10.224 1.00 0.00 O ATOM 0 H ASP D 36 11.350 -11.640 -11.153 1.00 0.00 H new ATOM 0 HA ASP D 36 12.452 -13.091 -13.290 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.695 -13.039 -11.995 1.00 0.00 H new ATOM 0 HB3 ASP D 36 10.141 -14.207 -13.223 1.00 0.00 H new ATOM 3190 N ASN D 37 10.497 -10.710 -14.219 1.00 0.00 N ATOM 3191 CA ASN D 37 9.911 -10.039 -15.382 1.00 0.00 C ATOM 3192 C ASN D 37 10.852 -8.988 -15.974 1.00 0.00 C ATOM 3193 O ASN D 37 10.715 -8.621 -17.142 1.00 0.00 O ATOM 3194 CB ASN D 37 8.566 -9.402 -15.024 1.00 0.00 C ATOM 3195 CG ASN D 37 8.698 -8.296 -14.001 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.370 -7.292 -14.237 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.050 -8.473 -12.857 1.00 0.00 N ATOM 0 H ASN D 37 10.526 -10.144 -13.371 1.00 0.00 H new ATOM 0 HA ASN D 37 9.749 -10.804 -16.142 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.106 -9.002 -15.928 1.00 0.00 H new ATOM 0 HB3 ASN D 37 7.896 -10.170 -14.638 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.097 -7.760 -12.129 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.505 -9.322 -12.706 1.00 0.00 H new ATOM 3204 N GLY D 38 11.813 -8.514 -15.181 1.00 0.00 N ATOM 3205 CA GLY D 38 12.758 -7.525 -15.684 1.00 0.00 C ATOM 3206 C GLY D 38 12.937 -6.312 -14.779 1.00 0.00 C ATOM 3207 O GLY D 38 13.508 -5.307 -15.203 1.00 0.00 O ATOM 0 H GLY D 38 11.954 -8.793 -14.210 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.727 -8.004 -15.826 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.424 -7.186 -16.665 1.00 0.00 H new ATOM 3211 N VAL D 39 12.464 -6.393 -13.537 1.00 0.00 N ATOM 3212 CA VAL D 39 12.605 -5.279 -12.604 1.00 0.00 C ATOM 3213 C VAL D 39 13.917 -5.388 -11.835 1.00 0.00 C ATOM 3214 O VAL D 39 14.355 -6.486 -11.491 1.00 0.00 O ATOM 3215 CB VAL D 39 11.434 -5.216 -11.603 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.519 -3.954 -10.753 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.102 -5.287 -12.336 1.00 0.00 C ATOM 0 H VAL D 39 11.985 -7.209 -13.157 1.00 0.00 H new ATOM 0 HA VAL D 39 12.600 -4.364 -13.197 1.00 0.00 H new ATOM 0 HB VAL D 39 11.504 -6.076 -10.937 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.683 -3.929 -10.054 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.457 -3.952 -10.198 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.477 -3.077 -11.399 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.287 -5.241 -11.614 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.022 -4.448 -13.027 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.042 -6.223 -12.892 1.00 0.00 H new ATOM 3227 N ASP D 40 14.544 -4.246 -11.572 1.00 0.00 N ATOM 3228 CA ASP D 40 15.809 -4.223 -10.849 1.00 0.00 C ATOM 3229 C ASP D 40 16.036 -2.867 -10.185 1.00 0.00 C ATOM 3230 O ASP D 40 15.191 -1.976 -10.264 1.00 0.00 O ATOM 3231 CB ASP D 40 16.967 -4.538 -11.798 1.00 0.00 C ATOM 3232 CG ASP D 40 16.938 -5.971 -12.291 1.00 0.00 C ATOM 3233 OD1 ASP D 40 16.868 -6.888 -11.445 1.00 0.00 O ATOM 3234 OD2 ASP D 40 16.985 -6.177 -13.522 1.00 0.00 O ATOM 0 H ASP D 40 14.197 -3.327 -11.848 1.00 0.00 H new ATOM 0 HA ASP D 40 15.766 -4.984 -10.070 1.00 0.00 H new ATOM 0 HB2 ASP D 40 16.927 -3.862 -12.652 1.00 0.00 H new ATOM 0 HB3 ASP D 40 17.912 -4.351 -11.288 1.00 0.00 H new ATOM 3239 N GLY D 41 17.184 -2.723 -9.530 1.00 0.00 N ATOM 3240 CA GLY D 41 17.509 -1.478 -8.856 1.00 0.00 C ATOM 3241 C GLY D 41 17.719 -1.670 -7.367 1.00 0.00 C ATOM 3242 O GLY D 41 18.228 -2.705 -6.936 1.00 0.00 O ATOM 0 H GLY D 41 17.897 -3.448 -9.454 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.411 -1.053 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.706 -0.759 -9.018 1.00 0.00 H new ATOM 3246 N GLU D 42 17.330 -0.673 -6.578 1.00 0.00 N ATOM 3247 CA GLU D 42 17.484 -0.745 -5.130 1.00 0.00 C ATOM 3248 C GLU D 42 16.374 0.024 -4.421 1.00 0.00 C ATOM 3249 O GLU D 42 15.777 0.938 -4.989 1.00 0.00 O ATOM 3250 CB GLU D 42 18.847 -0.189 -4.714 1.00 0.00 C ATOM 3251 CG GLU D 42 20.006 -1.122 -5.024 1.00 0.00 C ATOM 3252 CD GLU D 42 21.219 -0.852 -4.156 1.00 0.00 C ATOM 3253 OE1 GLU D 42 21.756 0.275 -4.221 1.00 0.00 O ATOM 3254 OE2 GLU D 42 21.631 -1.765 -3.411 1.00 0.00 O ATOM 0 H GLU D 42 16.907 0.191 -6.916 1.00 0.00 H new ATOM 0 HA GLU D 42 17.418 -1.793 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU D 42 19.012 0.762 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.834 0.018 -3.644 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.685 -2.154 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.283 -1.015 -6.073 1.00 0.00 H new ATOM 3261 N TRP D 43 16.105 -0.355 -3.176 1.00 0.00 N ATOM 3262 CA TRP D 43 15.068 0.297 -2.385 1.00 0.00 C ATOM 3263 C TRP D 43 15.509 1.685 -1.945 1.00 0.00 C ATOM 3264 O TRP D 43 16.478 1.836 -1.201 1.00 0.00 O ATOM 3265 CB TRP D 43 14.712 -0.554 -1.165 1.00 0.00 C ATOM 3266 CG TRP D 43 13.881 -1.753 -1.505 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.326 -3.027 -1.705 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.462 -1.788 -1.691 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.271 -3.854 -2.004 1.00 0.00 N ATOM 3270 CE2 TRP D 43 12.115 -3.117 -2.000 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.450 -0.826 -1.624 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.801 -3.507 -2.243 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 10.145 -1.215 -1.865 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.830 -2.544 -2.171 1.00 0.00 C ATOM 0 H TRP D 43 16.591 -1.111 -2.693 1.00 0.00 H new ATOM 0 HA TRP D 43 14.183 0.402 -3.012 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.630 -0.882 -0.679 1.00 0.00 H new ATOM 0 HB3 TRP D 43 14.173 0.062 -0.445 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.358 -3.340 -1.638 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.337 -4.853 -2.197 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.683 0.202 -1.388 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.556 -4.532 -2.480 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.355 -0.480 -1.816 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.801 -2.815 -2.354 1.00 0.00 H new ATOM 3285 N THR D 44 14.784 2.693 -2.411 1.00 0.00 N ATOM 3286 CA THR D 44 15.087 4.073 -2.071 1.00 0.00 C ATOM 3287 C THR D 44 14.005 4.650 -1.170 1.00 0.00 C ATOM 3288 O THR D 44 12.815 4.424 -1.386 1.00 0.00 O ATOM 3289 CB THR D 44 15.215 4.920 -3.337 1.00 0.00 C ATOM 3290 OG1 THR D 44 13.991 4.946 -4.046 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.288 4.426 -4.283 1.00 0.00 C ATOM 0 H THR D 44 13.980 2.578 -3.028 1.00 0.00 H new ATOM 0 HA THR D 44 16.037 4.092 -1.537 1.00 0.00 H new ATOM 0 HB THR D 44 15.492 5.916 -2.993 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.293 4.514 -3.510 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.325 5.072 -5.160 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.254 4.443 -3.778 1.00 0.00 H new ATOM 0 HG23 THR D 44 16.059 3.406 -4.593 1.00 0.00 H new ATOM 3299 N TYR D 45 14.433 5.402 -0.171 1.00 0.00 N ATOM 3300 CA TYR D 45 13.508 6.025 0.766 1.00 0.00 C ATOM 3301 C TYR D 45 12.726 7.145 0.086 1.00 0.00 C ATOM 3302 O TYR D 45 13.263 7.870 -0.751 1.00 0.00 O ATOM 3303 CB TYR D 45 14.263 6.567 1.979 1.00 0.00 C ATOM 3304 CG TYR D 45 14.607 5.499 2.992 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.667 5.071 3.922 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.866 4.915 3.015 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.975 4.092 4.847 1.00 0.00 C ATOM 3308 CE2 TYR D 45 16.181 3.934 3.936 1.00 0.00 C ATOM 3309 CZ TYR D 45 15.233 3.525 4.849 1.00 0.00 C ATOM 3310 OH TYR D 45 15.541 2.548 5.767 1.00 0.00 O ATOM 0 H TYR D 45 15.417 5.598 0.014 1.00 0.00 H new ATOM 0 HA TYR D 45 12.801 5.267 1.104 1.00 0.00 H new ATOM 0 HB2 TYR D 45 15.181 7.048 1.642 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.659 7.335 2.461 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.680 5.511 3.922 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.612 5.233 2.301 1.00 0.00 H new ATOM 0 HE1 TYR D 45 13.235 3.772 5.565 1.00 0.00 H new ATOM 0 HE2 TYR D 45 17.165 3.490 3.940 1.00 0.00 H new ATOM 0 HH TYR D 45 16.466 2.253 5.633 1.00 0.00 H new ATOM 3320 N ASP D 46 11.454 7.275 0.446 1.00 0.00 N ATOM 3321 CA ASP D 46 10.597 8.301 -0.136 1.00 0.00 C ATOM 3322 C ASP D 46 10.987 9.688 0.370 1.00 0.00 C ATOM 3323 O ASP D 46 11.606 9.822 1.425 1.00 0.00 O ATOM 3324 CB ASP D 46 9.133 8.024 0.207 1.00 0.00 C ATOM 3325 CG ASP D 46 8.519 6.961 -0.681 1.00 0.00 C ATOM 3326 OD1 ASP D 46 8.931 5.787 -0.573 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.625 7.303 -1.484 1.00 0.00 O ATOM 0 H ASP D 46 10.994 6.683 1.138 1.00 0.00 H new ATOM 0 HA ASP D 46 10.727 8.274 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP D 46 9.061 7.709 1.248 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.560 8.947 0.113 1.00 0.00 H new ATOM 3332 N ASP D 47 10.621 10.715 -0.390 1.00 0.00 N ATOM 3333 CA ASP D 47 10.936 12.091 -0.015 1.00 0.00 C ATOM 3334 C ASP D 47 10.182 12.493 1.250 1.00 0.00 C ATOM 3335 O ASP D 47 8.980 12.253 1.370 1.00 0.00 O ATOM 3336 CB ASP D 47 10.583 13.046 -1.157 1.00 0.00 C ATOM 3337 CG ASP D 47 9.160 12.862 -1.646 1.00 0.00 C ATOM 3338 OD1 ASP D 47 8.887 11.841 -2.313 1.00 0.00 O ATOM 3339 OD2 ASP D 47 8.316 13.740 -1.362 1.00 0.00 O ATOM 0 H ASP D 47 10.108 10.622 -1.267 1.00 0.00 H new ATOM 0 HA ASP D 47 12.006 12.153 0.184 1.00 0.00 H new ATOM 0 HB2 ASP D 47 10.719 14.074 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP D 47 11.273 12.887 -1.986 1.00 0.00 H new ATOM 3344 N ALA D 48 10.900 13.094 2.195 1.00 0.00 N ATOM 3345 CA ALA D 48 10.309 13.519 3.461 1.00 0.00 C ATOM 3346 C ALA D 48 9.106 14.437 3.249 1.00 0.00 C ATOM 3347 O ALA D 48 9.110 15.294 2.366 1.00 0.00 O ATOM 3348 CB ALA D 48 11.354 14.213 4.320 1.00 0.00 C ATOM 0 H ALA D 48 11.895 13.298 2.107 1.00 0.00 H new ATOM 0 HA ALA D 48 9.954 12.626 3.975 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.902 14.526 5.261 1.00 0.00 H new ATOM 0 HB2 ALA D 48 12.174 13.524 4.522 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.736 15.087 3.793 1.00 0.00 H new ATOM 3354 N THR D 49 8.079 14.246 4.075 1.00 0.00 N ATOM 3355 CA THR D 49 6.863 15.050 3.998 1.00 0.00 C ATOM 3356 C THR D 49 6.395 15.450 5.396 1.00 0.00 C ATOM 3357 O THR D 49 6.727 14.790 6.380 1.00 0.00 O ATOM 3358 CB THR D 49 5.757 14.279 3.277 1.00 0.00 C ATOM 3359 OG1 THR D 49 6.211 13.816 2.017 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.510 15.103 3.042 1.00 0.00 C ATOM 0 H THR D 49 8.066 13.537 4.809 1.00 0.00 H new ATOM 0 HA THR D 49 7.087 15.954 3.432 1.00 0.00 H new ATOM 0 HB THR D 49 5.504 13.448 3.936 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.491 13.324 1.570 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.765 14.497 2.527 1.00 0.00 H new ATOM 0 HG22 THR D 49 4.108 15.436 3.999 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.757 15.971 2.431 1.00 0.00 H new ATOM 3368 N LYS D 50 5.629 16.534 5.480 1.00 0.00 N ATOM 3369 CA LYS D 50 5.128 17.012 6.764 1.00 0.00 C ATOM 3370 C LYS D 50 3.608 17.161 6.744 1.00 0.00 C ATOM 3371 O LYS D 50 3.051 17.852 5.892 1.00 0.00 O ATOM 3372 CB LYS D 50 5.773 18.353 7.122 1.00 0.00 C ATOM 3373 CG LYS D 50 7.275 18.267 7.339 1.00 0.00 C ATOM 3374 CD LYS D 50 7.895 19.645 7.503 1.00 0.00 C ATOM 3375 CE LYS D 50 9.413 19.582 7.471 1.00 0.00 C ATOM 3376 NZ LYS D 50 10.014 20.876 7.043 1.00 0.00 N ATOM 0 H LYS D 50 5.343 17.095 4.678 1.00 0.00 H new ATOM 0 HA LYS D 50 5.392 16.272 7.519 1.00 0.00 H new ATOM 0 HB2 LYS D 50 5.570 19.069 6.325 1.00 0.00 H new ATOM 0 HB3 LYS D 50 5.305 18.742 8.027 1.00 0.00 H new ATOM 0 HG2 LYS D 50 7.482 17.666 8.225 1.00 0.00 H new ATOM 0 HG3 LYS D 50 7.737 17.757 6.493 1.00 0.00 H new ATOM 0 HD2 LYS D 50 7.541 20.301 6.708 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.568 20.082 8.447 1.00 0.00 H new ATOM 0 HE2 LYS D 50 9.786 19.318 8.461 1.00 0.00 H new ATOM 0 HE3 LYS D 50 9.729 18.792 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 10.416 20.774 6.089 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 9.280 21.613 7.032 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 10.766 21.146 7.708 1.00 0.00 H new ATOM 3390 N THR D 51 2.948 16.507 7.695 1.00 0.00 N ATOM 3391 CA THR D 51 1.493 16.558 7.802 1.00 0.00 C ATOM 3392 C THR D 51 1.076 17.345 9.047 1.00 0.00 C ATOM 3393 O THR D 51 1.622 17.144 10.132 1.00 0.00 O ATOM 3394 CB THR D 51 0.923 15.129 7.834 1.00 0.00 C ATOM 3395 OG1 THR D 51 1.067 14.515 6.566 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.547 15.055 8.203 1.00 0.00 C ATOM 0 H THR D 51 3.400 15.933 8.406 1.00 0.00 H new ATOM 0 HA THR D 51 1.088 17.073 6.931 1.00 0.00 H new ATOM 0 HB THR D 51 1.494 14.616 8.608 1.00 0.00 H new ATOM 0 HG1 THR D 51 1.932 14.764 6.179 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.870 14.014 8.203 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.695 15.481 9.195 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.133 15.617 7.476 1.00 0.00 H new ATOM 3404 N PHE D 52 0.106 18.244 8.883 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.383 19.058 9.994 1.00 0.00 C ATOM 3406 C PHE D 52 -1.384 18.285 10.846 1.00 0.00 C ATOM 3407 O PHE D 52 -2.450 17.898 10.367 1.00 0.00 O ATOM 3408 CB PHE D 52 -1.033 20.344 9.475 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.257 21.376 10.544 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.217 22.186 10.973 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.506 21.534 11.121 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.420 23.134 11.958 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -2.715 22.482 12.107 1.00 0.00 C ATOM 3414 CZ PHE D 52 -1.671 23.282 12.525 1.00 0.00 C ATOM 0 H PHE D 52 -0.356 18.427 7.992 1.00 0.00 H new ATOM 0 HA PHE D 52 0.475 19.316 10.615 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.403 20.771 8.695 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -1.989 20.098 9.013 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.763 22.075 10.533 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.326 20.910 10.798 1.00 0.00 H new ATOM 0 HE1 PHE D 52 0.399 23.758 12.284 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -3.694 22.596 12.549 1.00 0.00 H new ATOM 0 HZ PHE D 52 -1.832 24.023 13.294 1.00 0.00 H new ATOM 3424 N THR D 53 -1.047 18.076 12.114 1.00 0.00 N ATOM 3425 CA THR D 53 -1.933 17.366 13.029 1.00 0.00 C ATOM 3426 C THR D 53 -2.838 18.351 13.760 1.00 0.00 C ATOM 3427 O THR D 53 -2.360 19.261 14.437 1.00 0.00 O ATOM 3428 CB THR D 53 -1.121 16.544 14.035 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.329 15.580 13.366 1.00 0.00 O ATOM 3430 CG2 THR D 53 -1.977 15.807 15.046 1.00 0.00 C ATOM 0 H THR D 53 -0.169 18.387 12.531 1.00 0.00 H new ATOM 0 HA THR D 53 -2.554 16.685 12.448 1.00 0.00 H new ATOM 0 HB THR D 53 -0.505 17.269 14.567 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.221 16.023 12.687 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.336 15.246 15.726 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.568 16.525 15.614 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.643 15.119 14.526 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.147 18.169 13.616 1.00 0.00 N ATOM 3439 CA VAL D 54 -5.111 19.050 14.264 1.00 0.00 C ATOM 3440 C VAL D 54 -5.148 18.811 15.767 1.00 0.00 C ATOM 3441 O VAL D 54 -4.795 17.733 16.246 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.535 18.864 13.700 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.434 20.010 14.140 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.510 18.752 12.182 1.00 0.00 C ATOM 0 H VAL D 54 -4.563 17.423 13.059 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.781 20.068 14.059 1.00 0.00 H new ATOM 0 HB VAL D 54 -6.940 17.934 14.098 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.435 19.864 13.734 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.484 20.036 15.229 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -7.028 20.953 13.773 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.526 18.622 11.810 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.082 19.660 11.757 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -5.904 17.894 11.890 1.00 0.00 H new ATOM 3454 N THR D 55 -5.580 19.825 16.508 1.00 0.00 N ATOM 3455 CA THR D 55 -5.668 19.729 17.959 1.00 0.00 C ATOM 3456 C THR D 55 -6.792 20.608 18.496 1.00 0.00 C ATOM 3457 O THR D 55 -7.831 20.109 18.930 1.00 0.00 O ATOM 3458 CB THR D 55 -4.334 20.124 18.601 1.00 0.00 C ATOM 3459 OG1 THR D 55 -3.286 19.299 18.123 1.00 0.00 O ATOM 3460 CG2 THR D 55 -4.340 20.026 20.112 1.00 0.00 C ATOM 0 H THR D 55 -5.875 20.724 16.127 1.00 0.00 H new ATOM 0 HA THR D 55 -5.891 18.694 18.217 1.00 0.00 H new ATOM 0 HB THR D 55 -4.179 21.166 18.323 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.478 19.456 18.654 1.00 0.00 H new ATOM 0 HG21 THR D 55 -3.365 20.320 20.500 1.00 0.00 H new ATOM 0 HG22 THR D 55 -5.106 20.688 20.517 1.00 0.00 H new ATOM 0 HG23 THR D 55 -4.554 18.999 20.409 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.578 21.915 18.454 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.572 22.872 18.929 1.00 0.00 C ATOM 3470 C GLU D 56 -7.903 22.636 20.400 1.00 0.00 C ATOM 3471 O GLU D 56 -8.854 23.273 20.901 1.00 0.00 O ATOM 3472 CB GLU D 56 -8.846 22.776 18.087 1.00 0.00 C ATOM 3473 CG GLU D 56 -8.585 22.778 16.589 1.00 0.00 C ATOM 3474 CD GLU D 56 -9.840 22.521 15.778 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -10.925 22.965 16.206 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -9.737 21.873 14.715 1.00 0.00 O ATOM 3477 OXT GLU D 56 -7.207 21.815 21.037 1.00 0.00 O ATOM 0 H GLU D 56 -5.723 22.340 18.095 1.00 0.00 H new ATOM 0 HA GLU D 56 -7.150 23.872 18.828 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -9.380 21.864 18.353 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -9.500 23.612 18.335 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -8.160 23.739 16.299 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -7.842 22.017 16.352 1.00 0.00 H new