USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 660 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: A 70 LYS NZ :NH3+ -149:sc= -0.872! (180deg=-4.41!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.802 F(o=-12!,f=-0.07) USER MOD Set 2.1: A 3 CYS SG : rot -100:sc= -11.4! USER MOD Set 2.2: A 16 CYS SG : rot 120:sc= -5.45! USER MOD Set 2.3: A 23 CYS SG : rot -91:sc= -12.4! USER MOD Set 2.4: A 44 CYS SG : rot -75:sc= -13! USER MOD Set 2.5: A 60 CYS SG : rot -42:sc= -21.2! USER MOD Set 2.6: A 62 THR OG1 : rot 58:sc= -1.51! USER MOD Set 2.7: A 65 CYS SG : rot 18:sc= -26.8! USER MOD Set 2.8: A 66 ASN : amide:sc= -10.9! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -43:sc= 0.128! USER MOD Set 3.2: A 59 CYS SG : rot 133:sc= -8.66! USER MOD Set 4.1: A 29 CYS SG : rot -144:sc= -4.13! USER MOD Set 4.2: A 33 CYS SG : rot -47:sc= 1.52! USER MOD Set 5.1: A 5 THR OG1 : rot -23:sc= 1.29! USER MOD Set 5.2: A 8 THR OG1 : rot 76:sc= -1.37 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0537 USER MOD Single : A 1 ILE N :NH3+ -118:sc= -0.162 (180deg=-0.491) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12.5! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -76:sc= -2.75! USER MOD Single : A 12 SER OG : rot 180:sc= -1.19 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.82 F(o=-5.3!,f=-1.8) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 144:sc= -1.26 (180deg=-1.64!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= 0.362 (180deg=-1.44!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 71:sc= 1.14 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.995 (180deg=-1.36) USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.67!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.226 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.925 (180deg=-1.11) USER MOD Single : A 68 HIS : no HE2:sc= -36.9! C(o=-37!,f=-44!) USER MOD Single : B 1 HIS :FLIP no HD1:sc= -0.617 F(o=-1.6,f=-0.62) USER MOD Single : B 1 HIS N :NH3+ -160:sc= -11.5! (180deg=-12.2!) USER MOD Single : B 3 TYR OH : rot 127:sc= 0.142 USER MOD Single : B 4 TYR OH : rot -116:sc= -0.432 USER MOD Single : B 6 SER OG : rot -39:sc= 0.45 USER MOD Single : B 7 SER OG : rot 63:sc= -6.96! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.950 6.585 12.215 1.00 0.00 N ATOM 2 CA ILE A 1 -6.554 6.717 10.901 1.00 0.00 C ATOM 3 C ILE A 1 -6.829 5.325 10.329 1.00 0.00 C ATOM 4 O ILE A 1 -6.717 4.327 11.037 1.00 0.00 O ATOM 5 CB ILE A 1 -5.684 7.592 9.997 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.293 6.981 9.815 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.616 9.027 10.523 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.598 7.556 8.579 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.571 7.018 12.928 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.818 5.578 12.437 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.027 7.065 12.223 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.514 7.228 10.973 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.149 7.632 9.012 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.688 7.176 10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.377 5.899 9.718 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.991 9.628 9.862 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.620 9.450 10.557 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.188 9.027 11.526 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.611 7.105 8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.194 7.338 7.692 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.493 8.635 8.690 1.00 0.00 H new ATOM 20 N VAL A 2 -7.184 5.304 9.052 1.00 0.00 N ATOM 21 CA VAL A 2 -7.476 4.051 8.376 1.00 0.00 C ATOM 22 C VAL A 2 -6.566 3.911 7.155 1.00 0.00 C ATOM 23 O VAL A 2 -6.068 4.906 6.631 1.00 0.00 O ATOM 24 CB VAL A 2 -8.963 3.981 8.025 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.397 2.536 7.766 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.817 4.620 9.123 1.00 0.00 C ATOM 0 H VAL A 2 -7.276 6.135 8.468 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.270 3.206 9.032 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.117 4.548 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.458 2.514 7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.822 2.127 6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.220 1.937 8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.870 4.557 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.655 4.093 10.063 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.535 5.666 9.241 1.00 0.00 H new ATOM 36 N CYS A 3 -6.378 2.668 6.736 1.00 0.00 N ATOM 37 CA CYS A 3 -5.536 2.385 5.586 1.00 0.00 C ATOM 38 C CYS A 3 -6.129 1.186 4.841 1.00 0.00 C ATOM 39 O CYS A 3 -6.756 0.321 5.449 1.00 0.00 O ATOM 40 CB CYS A 3 -4.083 2.139 5.995 1.00 0.00 C ATOM 41 SG CYS A 3 -3.679 3.118 7.487 1.00 0.00 S ATOM 0 H CYS A 3 -6.794 1.845 7.172 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.517 3.251 4.924 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.927 1.078 6.192 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.415 2.413 5.178 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.025 4.187 7.141 1.00 0.00 H new ATOM 47 N HIS A 4 -5.910 1.176 3.534 1.00 0.00 N ATOM 48 CA HIS A 4 -6.416 0.099 2.699 1.00 0.00 C ATOM 49 C HIS A 4 -5.426 -1.068 2.714 1.00 0.00 C ATOM 50 O HIS A 4 -4.216 -0.861 2.799 1.00 0.00 O ATOM 51 CB HIS A 4 -6.717 0.602 1.287 1.00 0.00 C ATOM 52 CG HIS A 4 -7.364 1.967 1.246 1.00 0.00 C ATOM 53 ND1 HIS A 4 -6.921 3.146 0.722 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.610 2.223 1.790 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -7.849 4.073 0.934 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -8.896 3.502 1.595 1.00 0.00 N flip ATOM 0 H HIS A 4 -5.389 1.896 3.033 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.361 -0.265 3.101 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.788 0.634 0.718 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.371 -0.114 0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.242 1.503 2.289 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.785 5.108 0.632 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.750 3.976 1.888 1.00 0.00 H new ATOM 65 N THR A 5 -5.978 -2.270 2.630 1.00 0.00 N ATOM 66 CA THR A 5 -5.158 -3.470 2.632 1.00 0.00 C ATOM 67 C THR A 5 -5.212 -4.154 1.265 1.00 0.00 C ATOM 68 O THR A 5 -6.263 -4.637 0.848 1.00 0.00 O ATOM 69 CB THR A 5 -5.636 -4.366 3.777 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.652 -5.172 3.189 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.369 -3.581 4.868 1.00 0.00 C ATOM 0 H THR A 5 -6.982 -2.438 2.560 1.00 0.00 H new ATOM 0 HA THR A 5 -4.108 -3.232 2.801 1.00 0.00 H new ATOM 0 HB THR A 5 -4.781 -4.883 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.018 -4.715 2.403 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.687 -4.264 5.656 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.700 -2.829 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.243 -3.090 4.439 1.00 0.00 H new ATOM 79 N THR A 6 -4.062 -4.175 0.604 1.00 0.00 N ATOM 80 CA THR A 6 -3.963 -4.792 -0.707 1.00 0.00 C ATOM 81 C THR A 6 -3.284 -6.158 -0.604 1.00 0.00 C ATOM 82 O THR A 6 -3.372 -6.971 -1.526 1.00 0.00 O ATOM 83 CB THR A 6 -3.232 -3.819 -1.633 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.814 -2.766 -0.770 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.176 -3.134 -2.625 1.00 0.00 C ATOM 0 H THR A 6 -3.192 -3.774 0.953 1.00 0.00 H new ATOM 0 HA THR A 6 -4.950 -4.986 -1.128 1.00 0.00 H new ATOM 0 HB THR A 6 -2.455 -4.353 -2.180 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.581 -2.196 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.607 -2.454 -3.259 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.661 -3.888 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.933 -2.572 -2.078 1.00 0.00 H new ATOM 93 N ALA A 7 -2.623 -6.373 0.524 1.00 0.00 N ATOM 94 CA ALA A 7 -1.931 -7.627 0.759 1.00 0.00 C ATOM 95 C ALA A 7 -2.912 -8.648 1.334 1.00 0.00 C ATOM 96 O ALA A 7 -2.993 -9.777 0.853 1.00 0.00 O ATOM 97 CB ALA A 7 -0.735 -7.383 1.682 1.00 0.00 C ATOM 0 H ALA A 7 -2.553 -5.698 1.286 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.545 -8.033 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.214 -8.324 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.053 -6.673 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.085 -6.977 2.631 1.00 0.00 H new ATOM 103 N THR A 8 -3.636 -8.215 2.356 1.00 0.00 N ATOM 104 CA THR A 8 -4.611 -9.078 3.002 1.00 0.00 C ATOM 105 C THR A 8 -5.856 -9.227 2.126 1.00 0.00 C ATOM 106 O THR A 8 -5.838 -9.950 1.132 1.00 0.00 O ATOM 107 CB THR A 8 -4.908 -8.501 4.388 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.775 -7.092 4.213 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.828 -8.853 5.412 1.00 0.00 C ATOM 0 H THR A 8 -3.567 -7.278 2.753 1.00 0.00 H new ATOM 0 HA THR A 8 -4.221 -10.088 3.131 1.00 0.00 H new ATOM 0 HB THR A 8 -5.872 -8.871 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.565 -6.744 3.749 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.087 -8.420 6.378 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.757 -9.936 5.508 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.869 -8.454 5.081 1.00 0.00 H new ATOM 117 N SER A 9 -6.909 -8.530 2.527 1.00 0.00 N ATOM 118 CA SER A 9 -8.161 -8.575 1.791 1.00 0.00 C ATOM 119 C SER A 9 -7.962 -8.008 0.384 1.00 0.00 C ATOM 120 O SER A 9 -6.834 -7.919 -0.100 1.00 0.00 O ATOM 121 CB SER A 9 -9.260 -7.801 2.523 1.00 0.00 C ATOM 122 OG SER A 9 -9.003 -7.705 3.921 1.00 0.00 O ATOM 0 H SER A 9 -6.921 -7.931 3.352 1.00 0.00 H new ATOM 0 HA SER A 9 -8.475 -9.616 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.342 -6.800 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.219 -8.294 2.363 1.00 0.00 H new ATOM 0 HG SER A 9 -9.725 -7.203 4.353 1.00 0.00 H new ATOM 128 N PRO A 10 -9.103 -7.630 -0.251 1.00 0.00 N ATOM 129 CA PRO A 10 -9.065 -7.074 -1.594 1.00 0.00 C ATOM 130 C PRO A 10 -8.556 -5.633 -1.577 1.00 0.00 C ATOM 131 O PRO A 10 -7.597 -5.300 -2.272 1.00 0.00 O ATOM 132 CB PRO A 10 -10.489 -7.196 -2.111 1.00 0.00 C ATOM 133 CG PRO A 10 -11.364 -7.383 -0.881 1.00 0.00 C ATOM 134 CD PRO A 10 -10.457 -7.720 0.291 1.00 0.00 C ATOM 0 HA PRO A 10 -8.372 -7.602 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.781 -6.304 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.586 -8.042 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.932 -6.476 -0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.088 -8.181 -1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.601 -7.023 1.116 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.663 -8.718 0.678 1.00 0.00 H new ATOM 142 N ILE A 11 -9.220 -4.814 -0.773 1.00 0.00 N ATOM 143 CA ILE A 11 -8.847 -3.415 -0.657 1.00 0.00 C ATOM 144 C ILE A 11 -9.971 -2.649 0.044 1.00 0.00 C ATOM 145 O ILE A 11 -10.993 -2.342 -0.568 1.00 0.00 O ATOM 146 CB ILE A 11 -8.473 -2.843 -2.026 1.00 0.00 C ATOM 147 CG1 ILE A 11 -6.970 -2.573 -2.114 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.300 -1.596 -2.343 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.594 -2.023 -3.492 1.00 0.00 C ATOM 0 H ILE A 11 -10.014 -5.093 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.955 -3.309 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.711 -3.588 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.678 -1.861 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.419 -3.494 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.015 -1.209 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.359 -1.854 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.116 -0.835 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.520 -1.839 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.865 -2.748 -4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.128 -1.090 -3.669 1.00 0.00 H new ATOM 161 N SER A 12 -9.744 -2.362 1.318 1.00 0.00 N ATOM 162 CA SER A 12 -10.726 -1.637 2.108 1.00 0.00 C ATOM 163 C SER A 12 -10.031 -0.886 3.245 1.00 0.00 C ATOM 164 O SER A 12 -9.120 -1.417 3.879 1.00 0.00 O ATOM 165 CB SER A 12 -11.789 -2.584 2.669 1.00 0.00 C ATOM 166 OG SER A 12 -11.296 -3.353 3.762 1.00 0.00 O ATOM 0 H SER A 12 -8.895 -2.618 1.822 1.00 0.00 H new ATOM 0 HA SER A 12 -11.225 -0.918 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.654 -2.006 2.994 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.131 -3.254 1.880 1.00 0.00 H new ATOM 0 HG SER A 12 -12.005 -3.943 4.093 1.00 0.00 H new ATOM 172 N ALA A 13 -10.486 0.338 3.469 1.00 0.00 N ATOM 173 CA ALA A 13 -9.919 1.168 4.518 1.00 0.00 C ATOM 174 C ALA A 13 -10.441 0.692 5.876 1.00 0.00 C ATOM 175 O ALA A 13 -11.542 1.057 6.284 1.00 0.00 O ATOM 176 CB ALA A 13 -10.253 2.635 4.247 1.00 0.00 C ATOM 0 H ALA A 13 -11.242 0.775 2.941 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.833 1.080 4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.827 3.257 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.835 2.932 3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.335 2.764 4.228 1.00 0.00 H new ATOM 182 N VAL A 14 -9.625 -0.115 6.539 1.00 0.00 N ATOM 183 CA VAL A 14 -9.992 -0.644 7.841 1.00 0.00 C ATOM 184 C VAL A 14 -8.900 -0.294 8.855 1.00 0.00 C ATOM 185 O VAL A 14 -7.719 -0.543 8.612 1.00 0.00 O ATOM 186 CB VAL A 14 -10.253 -2.148 7.740 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.801 -2.518 6.361 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.989 -2.948 8.061 1.00 0.00 C ATOM 0 H VAL A 14 -8.711 -0.415 6.199 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.919 -0.189 8.191 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.009 -2.407 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.978 -3.593 6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.738 -1.989 6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.078 -2.237 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.203 -4.014 7.982 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.201 -2.683 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.661 -2.718 9.075 1.00 0.00 H new ATOM 198 N THR A 15 -9.333 0.277 9.969 1.00 0.00 N ATOM 199 CA THR A 15 -8.407 0.665 11.020 1.00 0.00 C ATOM 200 C THR A 15 -7.445 -0.484 11.332 1.00 0.00 C ATOM 201 O THR A 15 -7.836 -1.651 11.309 1.00 0.00 O ATOM 202 CB THR A 15 -9.228 1.117 12.230 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.265 1.914 11.667 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.458 2.086 13.129 1.00 0.00 C ATOM 0 H THR A 15 -10.313 0.480 10.167 1.00 0.00 H new ATOM 0 HA THR A 15 -7.778 1.498 10.707 1.00 0.00 H new ATOM 0 HB THR A 15 -9.530 0.246 12.811 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.846 2.247 12.382 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.085 2.376 13.972 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.555 1.600 13.498 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.185 2.973 12.558 1.00 0.00 H new ATOM 212 N CYS A 16 -6.205 -0.114 11.619 1.00 0.00 N ATOM 213 CA CYS A 16 -5.185 -1.098 11.936 1.00 0.00 C ATOM 214 C CYS A 16 -5.025 -1.152 13.457 1.00 0.00 C ATOM 215 O CYS A 16 -5.684 -0.407 14.180 1.00 0.00 O ATOM 216 CB CYS A 16 -3.862 -0.787 11.233 1.00 0.00 C ATOM 217 SG CYS A 16 -3.419 -2.153 10.100 1.00 0.00 S ATOM 0 H CYS A 16 -5.884 0.854 11.638 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.494 -2.077 11.570 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.948 0.146 10.675 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.073 -0.646 11.971 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.326 -1.697 8.886 1.00 0.00 H new ATOM 223 N PRO A 17 -4.122 -2.063 13.907 1.00 0.00 N ATOM 224 CA PRO A 17 -3.867 -2.224 15.329 1.00 0.00 C ATOM 225 C PRO A 17 -3.021 -1.068 15.869 1.00 0.00 C ATOM 226 O PRO A 17 -2.725 -0.119 15.143 1.00 0.00 O ATOM 227 CB PRO A 17 -3.179 -3.573 15.456 1.00 0.00 C ATOM 228 CG PRO A 17 -2.657 -3.906 14.067 1.00 0.00 C ATOM 229 CD PRO A 17 -3.323 -2.962 13.080 1.00 0.00 C ATOM 0 HA PRO A 17 -4.779 -2.200 15.925 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.365 -3.530 16.179 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.875 -4.336 15.805 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.573 -3.795 14.030 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.880 -4.942 13.814 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.584 -2.412 12.498 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.946 -3.506 12.371 1.00 0.00 H new ATOM 237 N PRO A 18 -2.647 -1.189 17.170 1.00 0.00 N ATOM 238 CA PRO A 18 -1.841 -0.166 17.814 1.00 0.00 C ATOM 239 C PRO A 18 -0.383 -0.243 17.352 1.00 0.00 C ATOM 240 O PRO A 18 0.301 -1.231 17.610 1.00 0.00 O ATOM 241 CB PRO A 18 -2.004 -0.417 19.305 1.00 0.00 C ATOM 242 CG PRO A 18 -2.514 -1.843 19.433 1.00 0.00 C ATOM 243 CD PRO A 18 -2.979 -2.299 18.059 1.00 0.00 C ATOM 0 HA PRO A 18 -2.160 0.844 17.555 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.056 -0.293 19.828 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.706 0.290 19.746 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.726 -2.498 19.806 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.334 -1.892 20.149 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.474 -3.216 17.754 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.049 -2.506 18.051 1.00 0.00 H new ATOM 251 N GLY A 19 0.045 0.813 16.677 1.00 0.00 N ATOM 252 CA GLY A 19 1.407 0.879 16.175 1.00 0.00 C ATOM 253 C GLY A 19 1.494 1.773 14.938 1.00 0.00 C ATOM 254 O GLY A 19 2.275 2.725 14.909 1.00 0.00 O ATOM 0 H GLY A 19 -0.527 1.630 16.466 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.066 1.264 16.953 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.756 -0.124 15.928 1.00 0.00 H new ATOM 258 N GLU A 20 0.683 1.437 13.946 1.00 0.00 N ATOM 259 CA GLU A 20 0.659 2.199 12.709 1.00 0.00 C ATOM 260 C GLU A 20 0.098 3.601 12.959 1.00 0.00 C ATOM 261 O GLU A 20 -1.107 3.770 13.133 1.00 0.00 O ATOM 262 CB GLU A 20 -0.149 1.470 11.633 1.00 0.00 C ATOM 263 CG GLU A 20 0.444 0.089 11.344 1.00 0.00 C ATOM 264 CD GLU A 20 -0.172 -0.974 12.256 1.00 0.00 C ATOM 265 OE1 GLU A 20 0.087 -2.173 12.073 1.00 0.00 O ATOM 266 OE2 GLU A 20 -0.944 -0.515 13.182 1.00 0.00 O ATOM 0 H GLU A 20 0.038 0.648 13.973 1.00 0.00 H new ATOM 0 HA GLU A 20 1.682 2.298 12.346 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.184 1.365 11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.162 2.063 10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.268 -0.175 10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.524 0.116 11.488 1.00 0.00 H new ATOM 274 N ASN A 21 1.002 4.570 12.970 1.00 0.00 N ATOM 275 CA ASN A 21 0.613 5.952 13.196 1.00 0.00 C ATOM 276 C ASN A 21 0.182 6.580 11.869 1.00 0.00 C ATOM 277 O ASN A 21 -0.088 7.779 11.805 1.00 0.00 O ATOM 278 CB ASN A 21 1.782 6.770 13.748 1.00 0.00 C ATOM 279 CG ASN A 21 2.507 6.007 14.860 1.00 0.00 C ATOM 280 OD1 ASN A 21 1.777 5.051 15.424 1.00 0.00 O flip ATOM 281 ND2 ASN A 21 3.653 6.273 15.184 1.00 0.00 N flip ATOM 0 H ASN A 21 2.001 4.426 12.826 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.204 5.958 13.917 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.481 7.000 12.944 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.415 7.721 14.134 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.157 7.021 14.708 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.107 5.747 15.931 1.00 0.00 H new ATOM 288 N LEU A 22 0.131 5.743 10.844 1.00 0.00 N ATOM 289 CA LEU A 22 -0.262 6.201 9.522 1.00 0.00 C ATOM 290 C LEU A 22 -0.396 4.997 8.589 1.00 0.00 C ATOM 291 O LEU A 22 -0.342 3.852 9.035 1.00 0.00 O ATOM 292 CB LEU A 22 0.708 7.269 9.014 1.00 0.00 C ATOM 293 CG LEU A 22 2.120 6.786 8.674 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.422 6.978 7.187 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.163 7.466 9.563 1.00 0.00 C ATOM 0 H LEU A 22 0.355 4.750 10.902 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.238 6.684 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.278 7.728 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.785 8.051 9.770 1.00 0.00 H new ATOM 0 HG LEU A 22 2.172 5.717 8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.431 6.627 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.706 6.409 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.344 8.035 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.157 7.104 9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.119 8.545 9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.957 7.234 10.608 1.00 0.00 H new ATOM 307 N CYS A 23 -0.563 5.297 7.308 1.00 0.00 N ATOM 308 CA CYS A 23 -0.703 4.253 6.307 1.00 0.00 C ATOM 309 C CYS A 23 0.616 4.141 5.541 1.00 0.00 C ATOM 310 O CYS A 23 1.613 4.749 5.925 1.00 0.00 O ATOM 311 CB CYS A 23 -1.886 4.520 5.373 1.00 0.00 C ATOM 312 SG CYS A 23 -3.217 5.389 6.282 1.00 0.00 S ATOM 0 H CYS A 23 -0.604 6.248 6.941 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.918 3.303 6.796 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.561 5.122 4.524 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.263 3.579 4.971 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.033 4.517 6.796 1.00 0.00 H new ATOM 318 N TYR A 24 0.577 3.361 4.471 1.00 0.00 N ATOM 319 CA TYR A 24 1.757 3.162 3.647 1.00 0.00 C ATOM 320 C TYR A 24 1.394 2.484 2.325 1.00 0.00 C ATOM 321 O TYR A 24 0.284 1.979 2.166 1.00 0.00 O ATOM 322 CB TYR A 24 2.678 2.237 4.446 1.00 0.00 C ATOM 323 CG TYR A 24 2.273 0.762 4.395 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.766 -0.056 3.399 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.415 0.249 5.347 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.385 -1.444 3.351 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.035 -1.139 5.299 1.00 0.00 C ATOM 328 CZ TYR A 24 1.538 -1.917 4.303 1.00 0.00 C ATOM 329 OH TYR A 24 1.179 -3.228 4.259 1.00 0.00 O ATOM 0 H TYR A 24 -0.253 2.859 4.156 1.00 0.00 H new ATOM 0 HA TYR A 24 2.226 4.117 3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.695 2.337 4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.692 2.564 5.486 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.438 0.345 2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.029 0.888 6.127 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.764 -2.094 2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.365 -1.553 6.038 1.00 0.00 H new ATOM 0 HH TYR A 24 0.571 -3.426 5.002 1.00 0.00 H new ATOM 339 N ARG A 25 2.353 2.493 1.409 1.00 0.00 N ATOM 340 CA ARG A 25 2.148 1.885 0.106 1.00 0.00 C ATOM 341 C ARG A 25 3.383 1.082 -0.305 1.00 0.00 C ATOM 342 O ARG A 25 4.363 1.648 -0.788 1.00 0.00 O ATOM 343 CB ARG A 25 1.862 2.947 -0.958 1.00 0.00 C ATOM 344 CG ARG A 25 1.073 4.118 -0.366 1.00 0.00 C ATOM 345 CD ARG A 25 1.240 5.378 -1.218 1.00 0.00 C ATOM 346 NE ARG A 25 -0.083 5.859 -1.674 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.280 6.576 -2.801 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.761 6.901 -3.598 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.505 6.954 -3.113 1.00 0.00 N ATOM 0 H ARG A 25 3.273 2.912 1.544 1.00 0.00 H new ATOM 0 HA ARG A 25 1.287 1.221 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.801 3.311 -1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.299 2.502 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.017 3.855 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.414 4.314 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.739 6.155 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.875 5.164 -2.078 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.897 5.635 -1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.705 6.604 -3.350 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.603 7.443 -4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.286 6.704 -2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.671 7.496 -3.961 1.00 0.00 H new ATOM 363 N LYS A 26 3.296 -0.225 -0.099 1.00 0.00 N ATOM 364 CA LYS A 26 4.395 -1.110 -0.442 1.00 0.00 C ATOM 365 C LYS A 26 4.334 -1.440 -1.934 1.00 0.00 C ATOM 366 O LYS A 26 3.271 -1.359 -2.548 1.00 0.00 O ATOM 367 CB LYS A 26 4.388 -2.347 0.461 1.00 0.00 C ATOM 368 CG LYS A 26 5.656 -2.411 1.313 1.00 0.00 C ATOM 369 CD LYS A 26 5.565 -3.535 2.348 1.00 0.00 C ATOM 370 CE LYS A 26 5.265 -2.976 3.740 1.00 0.00 C ATOM 371 NZ LYS A 26 6.156 -3.589 4.749 1.00 0.00 N ATOM 0 H LYS A 26 2.482 -0.691 0.301 1.00 0.00 H new ATOM 0 HA LYS A 26 5.350 -0.616 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.511 -2.324 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.310 -3.247 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.522 -2.572 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.807 -1.457 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.784 -4.238 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.502 -4.091 2.370 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.397 -1.894 3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.224 -3.170 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.938 -3.198 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.011 -4.619 4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.147 -3.382 4.509 1.00 0.00 H new ATOM 385 N MET A 27 5.487 -1.802 -2.476 1.00 0.00 N ATOM 386 CA MET A 27 5.579 -2.142 -3.886 1.00 0.00 C ATOM 387 C MET A 27 6.681 -3.175 -4.132 1.00 0.00 C ATOM 388 O MET A 27 7.673 -3.209 -3.407 1.00 0.00 O ATOM 389 CB MET A 27 5.871 -0.879 -4.698 1.00 0.00 C ATOM 390 CG MET A 27 4.644 -0.449 -5.504 1.00 0.00 C ATOM 391 SD MET A 27 4.717 1.303 -5.840 1.00 0.00 S ATOM 392 CE MET A 27 3.040 1.587 -6.380 1.00 0.00 C ATOM 0 H MET A 27 6.367 -1.867 -1.964 1.00 0.00 H new ATOM 0 HA MET A 27 4.628 -2.573 -4.199 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.171 -0.073 -4.028 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.708 -1.061 -5.372 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.600 -1.006 -6.440 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.735 -0.684 -4.951 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.707 2.566 -6.035 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.998 1.552 -7.469 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.389 0.816 -5.967 1.00 0.00 H new ATOM 402 N TRP A 28 6.468 -3.989 -5.154 1.00 0.00 N ATOM 403 CA TRP A 28 7.430 -5.019 -5.503 1.00 0.00 C ATOM 404 C TRP A 28 7.074 -5.547 -6.894 1.00 0.00 C ATOM 405 O TRP A 28 7.375 -4.907 -7.902 1.00 0.00 O ATOM 406 CB TRP A 28 7.469 -6.116 -4.439 1.00 0.00 C ATOM 407 CG TRP A 28 6.132 -6.343 -3.730 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.981 -6.783 -4.258 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.853 -6.121 -2.332 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.985 -6.860 -3.306 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.532 -6.445 -2.096 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.689 -5.662 -1.298 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.929 -6.345 -0.837 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.071 -5.568 -0.044 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.743 -5.890 0.207 1.00 0.00 C ATOM 0 H TRP A 28 5.643 -3.956 -5.752 1.00 0.00 H new ATOM 0 HA TRP A 28 8.439 -4.609 -5.534 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.784 -7.049 -4.905 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.224 -5.860 -3.696 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.850 -7.044 -5.298 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.024 -7.165 -3.461 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.725 -5.403 -1.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.893 -6.605 -0.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.669 -5.221 0.786 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.340 -5.790 1.204 1.00 0.00 H new ATOM 426 N CYS A 29 6.437 -6.709 -6.906 1.00 0.00 N ATOM 427 CA CYS A 29 6.036 -7.331 -8.157 1.00 0.00 C ATOM 428 C CYS A 29 5.256 -8.605 -7.832 1.00 0.00 C ATOM 429 O CYS A 29 5.797 -9.533 -7.231 1.00 0.00 O ATOM 430 CB CYS A 29 7.239 -7.612 -9.059 1.00 0.00 C ATOM 431 SG CYS A 29 7.152 -6.571 -10.562 1.00 0.00 S ATOM 0 H CYS A 29 6.189 -7.236 -6.069 1.00 0.00 H new ATOM 0 HA CYS A 29 5.397 -6.649 -8.717 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.164 -7.409 -8.519 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.257 -8.666 -9.337 1.00 0.00 H new ATOM 0 HG CYS A 29 7.601 -7.242 -11.581 1.00 0.00 H new ATOM 437 N ASP A 30 3.998 -8.611 -8.244 1.00 0.00 N ATOM 438 CA ASP A 30 3.136 -9.758 -8.004 1.00 0.00 C ATOM 439 C ASP A 30 3.873 -11.037 -8.407 1.00 0.00 C ATOM 440 O ASP A 30 4.989 -10.979 -8.919 1.00 0.00 O ATOM 441 CB ASP A 30 1.856 -9.668 -8.835 1.00 0.00 C ATOM 442 CG ASP A 30 0.751 -10.645 -8.428 1.00 0.00 C ATOM 443 OD1 ASP A 30 -0.337 -10.665 -9.023 1.00 0.00 O ATOM 444 OD2 ASP A 30 1.046 -11.420 -7.440 1.00 0.00 O ATOM 0 H ASP A 30 3.553 -7.840 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 30 2.878 -9.771 -6.945 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.466 -8.652 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.107 -9.842 -9.881 1.00 0.00 H new ATOM 450 N ALA A 31 3.219 -12.161 -8.157 1.00 0.00 N ATOM 451 CA ALA A 31 3.798 -13.453 -8.487 1.00 0.00 C ATOM 452 C ALA A 31 3.813 -13.626 -10.007 1.00 0.00 C ATOM 453 O ALA A 31 4.283 -14.644 -10.514 1.00 0.00 O ATOM 454 CB ALA A 31 3.013 -14.560 -7.782 1.00 0.00 C ATOM 0 H ALA A 31 2.294 -12.205 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 31 4.829 -13.512 -8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.447 -15.528 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.058 -14.407 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.974 -14.534 -8.109 1.00 0.00 H new ATOM 460 N PHE A 32 3.294 -12.618 -10.692 1.00 0.00 N ATOM 461 CA PHE A 32 3.241 -12.647 -12.144 1.00 0.00 C ATOM 462 C PHE A 32 4.040 -11.489 -12.744 1.00 0.00 C ATOM 463 O PHE A 32 4.290 -11.461 -13.949 1.00 0.00 O ATOM 464 CB PHE A 32 1.772 -12.498 -12.541 1.00 0.00 C ATOM 465 CG PHE A 32 0.881 -13.655 -12.081 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.712 -13.894 -10.754 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.261 -14.442 -13.000 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.115 -14.968 -10.327 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.564 -15.515 -12.573 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.735 -15.755 -11.246 1.00 0.00 C ATOM 0 H PHE A 32 2.906 -11.775 -10.268 1.00 0.00 H new ATOM 0 HA PHE A 32 3.669 -13.579 -12.514 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.386 -11.568 -12.123 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.707 -12.412 -13.626 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.206 -13.269 -10.025 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.396 -14.251 -14.054 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.251 -15.159 -9.273 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.056 -16.141 -13.303 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.364 -16.571 -10.922 1.00 0.00 H new ATOM 480 N CYS A 33 4.419 -10.560 -11.877 1.00 0.00 N ATOM 481 CA CYS A 33 5.184 -9.403 -12.307 1.00 0.00 C ATOM 482 C CYS A 33 4.676 -8.976 -13.686 1.00 0.00 C ATOM 483 O CYS A 33 5.434 -8.957 -14.654 1.00 0.00 O ATOM 484 CB CYS A 33 6.686 -9.689 -12.318 1.00 0.00 C ATOM 485 SG CYS A 33 7.558 -8.426 -13.315 1.00 0.00 S ATOM 0 H CYS A 33 4.210 -10.586 -10.879 1.00 0.00 H new ATOM 0 HA CYS A 33 5.041 -8.587 -11.598 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.072 -9.689 -11.299 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.872 -10.681 -12.729 1.00 0.00 H new ATOM 0 HG CYS A 33 6.937 -8.261 -14.445 1.00 0.00 H new ATOM 491 N SER A 34 3.393 -8.643 -13.731 1.00 0.00 N ATOM 492 CA SER A 34 2.774 -8.218 -14.976 1.00 0.00 C ATOM 493 C SER A 34 3.505 -6.994 -15.532 1.00 0.00 C ATOM 494 O SER A 34 4.413 -6.464 -14.893 1.00 0.00 O ATOM 495 CB SER A 34 1.292 -7.904 -14.773 1.00 0.00 C ATOM 496 OG SER A 34 0.560 -9.042 -14.327 1.00 0.00 O ATOM 0 H SER A 34 2.766 -8.659 -12.926 1.00 0.00 H new ATOM 0 HA SER A 34 2.850 -9.035 -15.693 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.189 -7.099 -14.045 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.866 -7.544 -15.710 1.00 0.00 H new ATOM 0 HG SER A 34 -0.382 -8.799 -14.208 1.00 0.00 H new ATOM 502 N SER A 35 3.083 -6.581 -16.718 1.00 0.00 N ATOM 503 CA SER A 35 3.686 -5.431 -17.369 1.00 0.00 C ATOM 504 C SER A 35 3.250 -4.144 -16.666 1.00 0.00 C ATOM 505 O SER A 35 3.690 -3.053 -17.029 1.00 0.00 O ATOM 506 CB SER A 35 3.314 -5.379 -18.851 1.00 0.00 C ATOM 507 OG SER A 35 3.713 -6.558 -19.545 1.00 0.00 O ATOM 0 H SER A 35 2.330 -7.023 -17.245 1.00 0.00 H new ATOM 0 HA SER A 35 4.769 -5.527 -17.298 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.236 -5.248 -18.950 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.784 -4.511 -19.312 1.00 0.00 H new ATOM 0 HG SER A 35 3.456 -6.486 -20.488 1.00 0.00 H new ATOM 513 N ARG A 36 2.390 -4.313 -15.673 1.00 0.00 N ATOM 514 CA ARG A 36 1.889 -3.177 -14.915 1.00 0.00 C ATOM 515 C ARG A 36 2.939 -2.706 -13.908 1.00 0.00 C ATOM 516 O ARG A 36 2.675 -1.818 -13.099 1.00 0.00 O ATOM 517 CB ARG A 36 0.603 -3.538 -14.169 1.00 0.00 C ATOM 518 CG ARG A 36 -0.333 -4.361 -15.057 1.00 0.00 C ATOM 519 CD ARG A 36 -0.827 -3.537 -16.247 1.00 0.00 C ATOM 520 NE ARG A 36 0.285 -3.297 -17.193 1.00 0.00 N ATOM 521 CZ ARG A 36 0.389 -2.204 -17.978 1.00 0.00 C ATOM 522 NH1 ARG A 36 -0.554 -1.239 -17.937 1.00 0.00 N ATOM 523 NH2 ARG A 36 1.426 -2.093 -18.788 1.00 0.00 N ATOM 0 H ARG A 36 2.027 -5.218 -15.375 1.00 0.00 H new ATOM 0 HA ARG A 36 1.674 -2.376 -15.622 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.847 -4.103 -13.269 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.097 -2.628 -13.847 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.188 -5.248 -15.416 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.185 -4.707 -14.471 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.638 -4.062 -16.752 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.231 -2.586 -15.899 1.00 0.00 H new ATOM 0 HE ARG A 36 1.019 -4.002 -17.256 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.353 -1.333 -17.309 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.468 -0.416 -18.534 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.134 -2.827 -18.814 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.519 -1.273 -19.388 1.00 0.00 H new ATOM 537 N GLY A 37 4.110 -3.322 -13.990 1.00 0.00 N ATOM 538 CA GLY A 37 5.201 -2.977 -13.094 1.00 0.00 C ATOM 539 C GLY A 37 5.124 -3.786 -11.798 1.00 0.00 C ATOM 540 O GLY A 37 5.088 -5.015 -11.831 1.00 0.00 O ATOM 0 H GLY A 37 4.327 -4.057 -14.663 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.155 -3.165 -13.588 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.165 -1.912 -12.865 1.00 0.00 H new ATOM 544 N LYS A 38 5.102 -3.062 -10.688 1.00 0.00 N ATOM 545 CA LYS A 38 5.031 -3.698 -9.383 1.00 0.00 C ATOM 546 C LYS A 38 3.576 -3.715 -8.908 1.00 0.00 C ATOM 547 O LYS A 38 2.664 -3.427 -9.681 1.00 0.00 O ATOM 548 CB LYS A 38 5.990 -3.019 -8.403 1.00 0.00 C ATOM 549 CG LYS A 38 7.185 -2.410 -9.139 1.00 0.00 C ATOM 550 CD LYS A 38 7.727 -3.374 -10.197 1.00 0.00 C ATOM 551 CE LYS A 38 9.256 -3.340 -10.238 1.00 0.00 C ATOM 552 NZ LYS A 38 9.815 -3.624 -8.897 1.00 0.00 N ATOM 0 H LYS A 38 5.132 -2.043 -10.665 1.00 0.00 H new ATOM 0 HA LYS A 38 5.359 -4.736 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.462 -2.240 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.341 -3.745 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.887 -1.475 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.972 -2.169 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.388 -4.387 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.327 -3.108 -11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.623 -4.074 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.595 -2.362 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.651 -4.235 -8.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.088 -2.731 -8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.099 -4.106 -8.317 1.00 0.00 H new ATOM 566 N VAL A 39 3.407 -4.056 -7.639 1.00 0.00 N ATOM 567 CA VAL A 39 2.078 -4.114 -7.052 1.00 0.00 C ATOM 568 C VAL A 39 1.861 -2.886 -6.167 1.00 0.00 C ATOM 569 O VAL A 39 2.583 -1.896 -6.285 1.00 0.00 O ATOM 570 CB VAL A 39 1.899 -5.433 -6.297 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.419 -5.815 -6.206 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.714 -6.553 -6.947 1.00 0.00 C ATOM 0 H VAL A 39 4.167 -4.295 -7.001 1.00 0.00 H new ATOM 0 HA VAL A 39 1.315 -4.092 -7.830 1.00 0.00 H new ATOM 0 HB VAL A 39 2.273 -5.292 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.319 -6.756 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.127 -5.033 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.010 -5.928 -7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.569 -7.479 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.384 -6.693 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.771 -6.286 -6.938 1.00 0.00 H new ATOM 582 N VAL A 40 0.864 -2.988 -5.301 1.00 0.00 N ATOM 583 CA VAL A 40 0.543 -1.897 -4.397 1.00 0.00 C ATOM 584 C VAL A 40 -0.129 -2.459 -3.143 1.00 0.00 C ATOM 585 O VAL A 40 -1.342 -2.350 -2.982 1.00 0.00 O ATOM 586 CB VAL A 40 -0.314 -0.855 -5.118 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.166 0.523 -4.469 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.027 -0.800 -6.608 1.00 0.00 C ATOM 0 H VAL A 40 0.267 -3.810 -5.206 1.00 0.00 H new ATOM 0 HA VAL A 40 1.452 -1.387 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.357 -1.158 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.786 1.244 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.483 0.471 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.877 0.837 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.597 -0.051 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.077 -0.534 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.156 -1.775 -7.059 1.00 0.00 H new ATOM 598 N GLU A 41 0.692 -3.050 -2.286 1.00 0.00 N ATOM 599 CA GLU A 41 0.192 -3.629 -1.051 1.00 0.00 C ATOM 600 C GLU A 41 0.215 -2.590 0.071 1.00 0.00 C ATOM 601 O GLU A 41 0.994 -2.708 1.016 1.00 0.00 O ATOM 602 CB GLU A 41 1.000 -4.872 -0.663 1.00 0.00 C ATOM 603 CG GLU A 41 1.294 -5.738 -1.890 1.00 0.00 C ATOM 604 CD GLU A 41 1.076 -7.220 -1.579 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.875 -7.586 -0.411 1.00 0.00 O ATOM 606 OE2 GLU A 41 1.118 -8.004 -2.603 1.00 0.00 O ATOM 0 H GLU A 41 1.699 -3.140 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.841 -3.940 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.936 -4.570 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.447 -5.454 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.649 -5.437 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.322 -5.578 -2.215 1.00 0.00 H new ATOM 614 N LEU A 42 -0.650 -1.596 -0.069 1.00 0.00 N ATOM 615 CA LEU A 42 -0.739 -0.537 0.920 1.00 0.00 C ATOM 616 C LEU A 42 -1.265 -1.116 2.235 1.00 0.00 C ATOM 617 O LEU A 42 -1.516 -2.316 2.333 1.00 0.00 O ATOM 618 CB LEU A 42 -1.575 0.627 0.385 1.00 0.00 C ATOM 619 CG LEU A 42 -1.511 0.860 -1.127 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.748 0.289 -1.822 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.306 2.343 -1.446 1.00 0.00 C ATOM 0 H LEU A 42 -1.295 -1.502 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 42 0.249 -0.124 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.615 0.459 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.254 1.540 0.887 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.646 0.325 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.678 0.468 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.807 -0.783 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.642 0.775 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.264 2.480 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.136 2.921 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.372 2.685 -1.000 1.00 0.00 H new ATOM 633 N GLY A 43 -1.415 -0.237 3.215 1.00 0.00 N ATOM 634 CA GLY A 43 -1.904 -0.645 4.520 1.00 0.00 C ATOM 635 C GLY A 43 -1.519 0.373 5.595 1.00 0.00 C ATOM 636 O GLY A 43 -1.442 1.570 5.321 1.00 0.00 O ATOM 0 H GLY A 43 -1.206 0.758 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.988 -0.753 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.494 -1.622 4.776 1.00 0.00 H new ATOM 640 N CYS A 44 -1.286 -0.139 6.794 1.00 0.00 N ATOM 641 CA CYS A 44 -0.910 0.710 7.911 1.00 0.00 C ATOM 642 C CYS A 44 0.541 0.401 8.283 1.00 0.00 C ATOM 643 O CYS A 44 1.034 -0.693 8.016 1.00 0.00 O ATOM 644 CB CYS A 44 -1.855 0.531 9.100 1.00 0.00 C ATOM 645 SG CYS A 44 -3.588 0.449 8.517 1.00 0.00 S ATOM 0 H CYS A 44 -1.350 -1.132 7.017 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.993 1.757 7.619 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.602 -0.380 9.642 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.736 1.360 9.797 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.993 1.641 8.192 1.00 0.00 H new ATOM 651 N ALA A 45 1.185 1.387 8.893 1.00 0.00 N ATOM 652 CA ALA A 45 2.570 1.232 9.304 1.00 0.00 C ATOM 653 C ALA A 45 2.951 2.385 10.235 1.00 0.00 C ATOM 654 O ALA A 45 2.485 3.510 10.060 1.00 0.00 O ATOM 655 CB ALA A 45 3.465 1.164 8.065 1.00 0.00 C ATOM 0 H ALA A 45 0.773 2.294 9.112 1.00 0.00 H new ATOM 0 HA ALA A 45 2.706 0.302 9.856 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.504 1.048 8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.171 0.313 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.358 2.083 7.488 1.00 0.00 H new ATOM 661 N ALA A 46 3.795 2.065 11.206 1.00 0.00 N ATOM 662 CA ALA A 46 4.244 3.059 12.166 1.00 0.00 C ATOM 663 C ALA A 46 4.803 4.269 11.416 1.00 0.00 C ATOM 664 O ALA A 46 4.470 5.410 11.733 1.00 0.00 O ATOM 665 CB ALA A 46 5.271 2.431 13.110 1.00 0.00 C ATOM 0 H ALA A 46 4.179 1.131 11.348 1.00 0.00 H new ATOM 0 HA ALA A 46 3.411 3.406 12.777 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.607 3.177 13.830 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.815 1.595 13.640 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.124 2.073 12.533 1.00 0.00 H new ATOM 671 N THR A 47 5.647 3.979 10.435 1.00 0.00 N ATOM 672 CA THR A 47 6.256 5.029 9.638 1.00 0.00 C ATOM 673 C THR A 47 6.775 4.460 8.315 1.00 0.00 C ATOM 674 O THR A 47 6.961 3.252 8.185 1.00 0.00 O ATOM 675 CB THR A 47 7.345 5.693 10.482 1.00 0.00 C ATOM 676 OG1 THR A 47 8.107 4.599 10.988 1.00 0.00 O ATOM 677 CG2 THR A 47 6.784 6.366 11.737 1.00 0.00 C ATOM 0 H THR A 47 5.923 3.032 10.175 1.00 0.00 H new ATOM 0 HA THR A 47 5.527 5.792 9.365 1.00 0.00 H new ATOM 0 HB THR A 47 7.873 6.431 9.878 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.837 4.939 11.546 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.598 6.822 12.300 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.068 7.135 11.448 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.286 5.621 12.358 1.00 0.00 H new ATOM 685 N CYS A 48 6.994 5.360 7.366 1.00 0.00 N ATOM 686 CA CYS A 48 7.487 4.963 6.058 1.00 0.00 C ATOM 687 C CYS A 48 8.423 3.765 6.240 1.00 0.00 C ATOM 688 O CYS A 48 9.596 3.935 6.567 1.00 0.00 O ATOM 689 CB CYS A 48 8.179 6.123 5.339 1.00 0.00 C ATOM 690 SG CYS A 48 7.768 7.704 6.163 1.00 0.00 S ATOM 0 H CYS A 48 6.839 6.362 7.477 1.00 0.00 H new ATOM 0 HA CYS A 48 6.649 4.675 5.423 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.258 5.972 5.342 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.865 6.155 4.296 1.00 0.00 H new ATOM 0 HG CYS A 48 6.500 7.728 6.447 1.00 0.00 H new ATOM 696 N PRO A 49 7.851 2.552 6.016 1.00 0.00 N ATOM 697 CA PRO A 49 8.621 1.327 6.153 1.00 0.00 C ATOM 698 C PRO A 49 9.569 1.139 4.965 1.00 0.00 C ATOM 699 O PRO A 49 10.357 0.195 4.938 1.00 0.00 O ATOM 700 CB PRO A 49 7.584 0.221 6.264 1.00 0.00 C ATOM 701 CG PRO A 49 6.290 0.807 5.723 1.00 0.00 C ATOM 702 CD PRO A 49 6.464 2.314 5.629 1.00 0.00 C ATOM 0 HA PRO A 49 9.272 1.335 7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.885 -0.656 5.691 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.465 -0.100 7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.061 0.387 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.455 0.559 6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.268 2.673 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.773 2.834 6.292 1.00 0.00 H new ATOM 710 N SER A 50 9.461 2.055 4.013 1.00 0.00 N ATOM 711 CA SER A 50 10.298 2.003 2.826 1.00 0.00 C ATOM 712 C SER A 50 11.596 1.254 3.134 1.00 0.00 C ATOM 713 O SER A 50 12.180 1.432 4.202 1.00 0.00 O ATOM 714 CB SER A 50 10.605 3.408 2.307 1.00 0.00 C ATOM 715 OG SER A 50 10.208 3.575 0.950 1.00 0.00 O ATOM 0 H SER A 50 8.807 2.837 4.040 1.00 0.00 H new ATOM 0 HA SER A 50 9.754 1.469 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.093 4.143 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.674 3.603 2.398 1.00 0.00 H new ATOM 0 HG SER A 50 9.230 3.599 0.896 1.00 0.00 H new ATOM 721 N LYS A 51 12.008 0.432 2.181 1.00 0.00 N ATOM 722 CA LYS A 51 13.227 -0.344 2.336 1.00 0.00 C ATOM 723 C LYS A 51 14.398 0.422 1.720 1.00 0.00 C ATOM 724 O LYS A 51 14.767 1.492 2.202 1.00 0.00 O ATOM 725 CB LYS A 51 13.042 -1.750 1.763 1.00 0.00 C ATOM 726 CG LYS A 51 12.462 -2.700 2.815 1.00 0.00 C ATOM 727 CD LYS A 51 13.573 -3.330 3.656 1.00 0.00 C ATOM 728 CE LYS A 51 14.196 -2.301 4.601 1.00 0.00 C ATOM 729 NZ LYS A 51 13.160 -1.702 5.471 1.00 0.00 N ATOM 0 H LYS A 51 11.519 0.286 1.298 1.00 0.00 H new ATOM 0 HA LYS A 51 13.458 -0.482 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.379 -1.710 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.000 -2.132 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.775 -2.155 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.884 -3.483 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.170 -4.162 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.342 -3.740 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.962 -2.777 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.690 -1.520 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.615 -1.123 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.530 -1.104 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.605 -2.458 5.921 1.00 0.00 H new ATOM 743 N LYS A 52 14.949 -0.153 0.662 1.00 0.00 N ATOM 744 CA LYS A 52 16.072 0.462 -0.026 1.00 0.00 C ATOM 745 C LYS A 52 16.129 -0.054 -1.464 1.00 0.00 C ATOM 746 O LYS A 52 16.178 0.733 -2.409 1.00 0.00 O ATOM 747 CB LYS A 52 17.368 0.242 0.758 1.00 0.00 C ATOM 748 CG LYS A 52 17.232 0.751 2.196 1.00 0.00 C ATOM 749 CD LYS A 52 16.877 -0.391 3.150 1.00 0.00 C ATOM 750 CE LYS A 52 16.725 0.120 4.583 1.00 0.00 C ATOM 751 NZ LYS A 52 17.032 -0.955 5.553 1.00 0.00 N ATOM 0 H LYS A 52 14.639 -1.039 0.264 1.00 0.00 H new ATOM 0 HA LYS A 52 15.939 1.543 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.617 -0.819 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.190 0.758 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.166 1.216 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.462 1.521 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.949 -0.863 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.653 -1.155 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.392 0.966 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.709 0.481 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.371 -0.899 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.935 -1.880 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.006 -0.842 5.899 1.00 0.00 H new ATOM 765 N PRO A 53 16.121 -1.409 -1.590 1.00 0.00 N ATOM 766 CA PRO A 53 16.171 -2.039 -2.897 1.00 0.00 C ATOM 767 C PRO A 53 14.821 -1.931 -3.610 1.00 0.00 C ATOM 768 O PRO A 53 14.449 -0.859 -4.083 1.00 0.00 O ATOM 769 CB PRO A 53 16.585 -3.476 -2.625 1.00 0.00 C ATOM 770 CG PRO A 53 16.301 -3.721 -1.153 1.00 0.00 C ATOM 771 CD PRO A 53 16.065 -2.371 -0.493 1.00 0.00 C ATOM 0 HA PRO A 53 16.878 -1.555 -3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 53 16.024 -4.169 -3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.641 -3.627 -2.849 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.427 -4.362 -1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.140 -4.235 -0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.100 -2.340 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.825 -2.159 0.259 1.00 0.00 H new ATOM 779 N TYR A 54 14.125 -3.057 -3.665 1.00 0.00 N ATOM 780 CA TYR A 54 12.826 -3.102 -4.313 1.00 0.00 C ATOM 781 C TYR A 54 11.722 -2.636 -3.361 1.00 0.00 C ATOM 782 O TYR A 54 10.944 -1.744 -3.694 1.00 0.00 O ATOM 783 CB TYR A 54 12.586 -4.569 -4.676 1.00 0.00 C ATOM 784 CG TYR A 54 13.103 -5.560 -3.633 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.453 -5.841 -3.557 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.222 -6.175 -2.766 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.941 -6.774 -2.575 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.710 -7.108 -1.783 1.00 0.00 C ATOM 789 CZ TYR A 54 14.045 -7.362 -1.737 1.00 0.00 C ATOM 790 OH TYR A 54 14.505 -8.243 -0.809 1.00 0.00 O ATOM 0 H TYR A 54 14.436 -3.945 -3.271 1.00 0.00 H new ATOM 0 HA TYR A 54 12.809 -2.448 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.517 -4.728 -4.815 1.00 0.00 H new ATOM 0 HB3 TYR A 54 13.066 -4.779 -5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.143 -5.361 -4.235 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.166 -5.956 -2.825 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.994 -7.002 -2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.031 -7.595 -1.098 1.00 0.00 H new ATOM 0 HH TYR A 54 13.753 -8.583 -0.280 1.00 0.00 H new ATOM 800 N GLU A 55 11.688 -3.263 -2.194 1.00 0.00 N ATOM 801 CA GLU A 55 10.693 -2.926 -1.191 1.00 0.00 C ATOM 802 C GLU A 55 10.414 -1.422 -1.205 1.00 0.00 C ATOM 803 O GLU A 55 10.840 -0.700 -0.305 1.00 0.00 O ATOM 804 CB GLU A 55 11.136 -3.389 0.199 1.00 0.00 C ATOM 805 CG GLU A 55 10.691 -4.829 0.464 1.00 0.00 C ATOM 806 CD GLU A 55 10.894 -5.204 1.934 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.906 -5.832 2.279 1.00 0.00 O ATOM 808 OE2 GLU A 55 9.955 -4.817 2.730 1.00 0.00 O ATOM 0 H GLU A 55 12.334 -4.003 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 55 9.769 -3.450 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.221 -3.319 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.715 -2.729 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.640 -4.944 0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.257 -5.511 -0.171 1.00 0.00 H new ATOM 816 N GLU A 56 9.702 -0.994 -2.237 1.00 0.00 N ATOM 817 CA GLU A 56 9.362 0.412 -2.380 1.00 0.00 C ATOM 818 C GLU A 56 8.065 0.723 -1.632 1.00 0.00 C ATOM 819 O GLU A 56 6.976 0.608 -2.195 1.00 0.00 O ATOM 820 CB GLU A 56 9.252 0.803 -3.855 1.00 0.00 C ATOM 821 CG GLU A 56 10.171 1.982 -4.180 1.00 0.00 C ATOM 822 CD GLU A 56 9.622 2.797 -5.354 1.00 0.00 C ATOM 823 OE1 GLU A 56 10.257 2.857 -6.417 1.00 0.00 O ATOM 824 OE2 GLU A 56 8.493 3.379 -5.133 1.00 0.00 O ATOM 0 H GLU A 56 9.351 -1.596 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 56 10.163 1.006 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.513 -0.050 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.220 1.066 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.271 2.622 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.168 1.615 -4.422 1.00 0.00 H new ATOM 832 N VAL A 57 8.221 1.111 -0.375 1.00 0.00 N ATOM 833 CA VAL A 57 7.074 1.439 0.455 1.00 0.00 C ATOM 834 C VAL A 57 6.887 2.958 0.480 1.00 0.00 C ATOM 835 O VAL A 57 7.825 3.708 0.215 1.00 0.00 O ATOM 836 CB VAL A 57 7.249 0.836 1.850 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.903 0.718 2.569 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.952 -0.521 1.776 1.00 0.00 C ATOM 0 H VAL A 57 9.124 1.206 0.089 1.00 0.00 H new ATOM 0 HA VAL A 57 6.164 1.005 0.039 1.00 0.00 H new ATOM 0 HB VAL A 57 7.880 1.509 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.056 0.287 3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.456 1.707 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.237 0.076 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.064 -0.928 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.358 -1.206 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.936 -0.397 1.323 1.00 0.00 H new ATOM 848 N THR A 58 5.668 3.365 0.801 1.00 0.00 N ATOM 849 CA THR A 58 5.344 4.781 0.864 1.00 0.00 C ATOM 850 C THR A 58 4.699 5.121 2.210 1.00 0.00 C ATOM 851 O THR A 58 5.029 4.520 3.230 1.00 0.00 O ATOM 852 CB THR A 58 4.458 5.117 -0.337 1.00 0.00 C ATOM 853 OG1 THR A 58 5.022 4.364 -1.407 1.00 0.00 O ATOM 854 CG2 THR A 58 4.608 6.572 -0.786 1.00 0.00 C ATOM 0 H THR A 58 4.893 2.740 1.020 1.00 0.00 H new ATOM 0 HA THR A 58 6.242 5.396 0.805 1.00 0.00 H new ATOM 0 HB THR A 58 3.416 4.920 -0.085 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.772 3.421 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.958 6.758 -1.641 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.330 7.236 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.643 6.760 -1.070 1.00 0.00 H new ATOM 862 N CYS A 59 3.790 6.085 2.166 1.00 0.00 N ATOM 863 CA CYS A 59 3.096 6.513 3.370 1.00 0.00 C ATOM 864 C CYS A 59 1.723 7.054 2.964 1.00 0.00 C ATOM 865 O CYS A 59 1.440 7.216 1.778 1.00 0.00 O ATOM 866 CB CYS A 59 3.907 7.544 4.154 1.00 0.00 C ATOM 867 SG CYS A 59 5.140 6.701 5.210 1.00 0.00 S ATOM 0 H CYS A 59 3.518 6.581 1.317 1.00 0.00 H new ATOM 0 HA CYS A 59 2.968 5.664 4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.410 8.223 3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.242 8.149 4.770 1.00 0.00 H new ATOM 0 HG CYS A 59 6.296 7.279 5.073 1.00 0.00 H new ATOM 873 N CYS A 60 0.906 7.318 3.973 1.00 0.00 N ATOM 874 CA CYS A 60 -0.431 7.836 3.738 1.00 0.00 C ATOM 875 C CYS A 60 -1.107 8.056 5.092 1.00 0.00 C ATOM 876 O CYS A 60 -1.362 7.101 5.824 1.00 0.00 O ATOM 877 CB CYS A 60 -1.247 6.909 2.836 1.00 0.00 C ATOM 878 SG CYS A 60 -2.916 6.660 3.541 1.00 0.00 S ATOM 0 H CYS A 60 1.144 7.183 4.956 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.367 8.786 3.207 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.326 7.337 1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.740 5.950 2.733 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.823 6.487 4.826 1.00 0.00 H new ATOM 884 N SER A 61 -1.378 9.319 5.385 1.00 0.00 N ATOM 885 CA SER A 61 -2.020 9.676 6.640 1.00 0.00 C ATOM 886 C SER A 61 -3.449 10.153 6.378 1.00 0.00 C ATOM 887 O SER A 61 -4.343 9.918 7.189 1.00 0.00 O ATOM 888 CB SER A 61 -1.225 10.756 7.377 1.00 0.00 C ATOM 889 OG SER A 61 -1.474 12.056 6.848 1.00 0.00 O ATOM 0 H SER A 61 -1.165 10.109 4.775 1.00 0.00 H new ATOM 0 HA SER A 61 -2.050 8.790 7.274 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.485 10.739 8.435 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.160 10.534 7.307 1.00 0.00 H new ATOM 0 HG SER A 61 -0.950 12.718 7.346 1.00 0.00 H new ATOM 895 N THR A 62 -3.621 10.816 5.244 1.00 0.00 N ATOM 896 CA THR A 62 -4.927 11.328 4.866 1.00 0.00 C ATOM 897 C THR A 62 -5.987 10.233 4.993 1.00 0.00 C ATOM 898 O THR A 62 -5.656 9.054 5.107 1.00 0.00 O ATOM 899 CB THR A 62 -4.816 11.907 3.454 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.450 11.710 3.102 1.00 0.00 O ATOM 901 CG2 THR A 62 -4.992 13.428 3.429 1.00 0.00 C ATOM 0 H THR A 62 -2.877 11.011 4.574 1.00 0.00 H new ATOM 0 HA THR A 62 -5.249 12.125 5.536 1.00 0.00 H new ATOM 0 HB THR A 62 -5.566 11.444 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.234 10.755 3.151 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.904 13.788 2.404 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.975 13.687 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.222 13.894 4.044 1.00 0.00 H new ATOM 909 N ASP A 63 -7.240 10.661 4.970 1.00 0.00 N ATOM 910 CA ASP A 63 -8.352 9.732 5.082 1.00 0.00 C ATOM 911 C ASP A 63 -8.456 8.912 3.795 1.00 0.00 C ATOM 912 O ASP A 63 -8.935 9.407 2.776 1.00 0.00 O ATOM 913 CB ASP A 63 -9.674 10.476 5.277 1.00 0.00 C ATOM 914 CG ASP A 63 -10.106 10.655 6.735 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.286 10.968 7.609 1.00 0.00 O ATOM 916 OD2 ASP A 63 -11.360 10.457 6.959 1.00 0.00 O ATOM 0 H ASP A 63 -7.511 11.640 4.875 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.170 9.090 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.592 11.460 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.458 9.938 4.745 1.00 0.00 H new ATOM 922 N LYS A 64 -7.999 7.671 3.882 1.00 0.00 N ATOM 923 CA LYS A 64 -8.034 6.777 2.737 1.00 0.00 C ATOM 924 C LYS A 64 -7.107 7.317 1.646 1.00 0.00 C ATOM 925 O LYS A 64 -7.518 7.467 0.495 1.00 0.00 O ATOM 926 CB LYS A 64 -9.474 6.563 2.268 1.00 0.00 C ATOM 927 CG LYS A 64 -10.326 5.950 3.382 1.00 0.00 C ATOM 928 CD LYS A 64 -11.803 5.905 2.981 1.00 0.00 C ATOM 929 CE LYS A 64 -12.602 5.013 3.933 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.177 3.860 3.204 1.00 0.00 N ATOM 0 H LYS A 64 -7.602 7.263 4.729 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.663 5.790 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.905 7.515 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.483 5.909 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.974 4.942 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.211 6.533 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.217 6.913 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.896 5.530 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.956 4.658 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.400 5.591 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.415 3.106 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.037 4.160 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.483 3.503 2.517 1.00 0.00 H new ATOM 944 N CYS A 65 -5.875 7.595 2.045 1.00 0.00 N ATOM 945 CA CYS A 65 -4.886 8.115 1.115 1.00 0.00 C ATOM 946 C CYS A 65 -3.980 6.962 0.683 1.00 0.00 C ATOM 947 O CYS A 65 -2.822 7.177 0.328 1.00 0.00 O ATOM 948 CB CYS A 65 -4.089 9.270 1.725 1.00 0.00 C ATOM 949 SG CYS A 65 -3.763 8.939 3.495 1.00 0.00 S ATOM 0 H CYS A 65 -5.538 7.470 3.000 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.388 8.528 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.147 9.395 1.190 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.643 10.202 1.617 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.925 7.672 3.737 1.00 0.00 H new ATOM 955 N ASN A 66 -4.541 5.762 0.726 1.00 0.00 N ATOM 956 CA ASN A 66 -3.797 4.574 0.344 1.00 0.00 C ATOM 957 C ASN A 66 -4.330 4.052 -0.992 1.00 0.00 C ATOM 958 O ASN A 66 -3.962 2.963 -1.429 1.00 0.00 O ATOM 959 CB ASN A 66 -3.959 3.464 1.383 1.00 0.00 C ATOM 960 CG ASN A 66 -2.612 3.099 2.011 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.392 1.990 2.468 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.726 4.091 2.006 1.00 0.00 N ATOM 0 H ASN A 66 -5.502 5.587 1.020 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.744 4.846 0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.651 3.787 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.396 2.583 0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.797 3.947 2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.976 4.996 1.607 1.00 0.00 H new ATOM 969 N PRO A 67 -5.210 4.875 -1.622 1.00 0.00 N ATOM 970 CA PRO A 67 -5.799 4.509 -2.899 1.00 0.00 C ATOM 971 C PRO A 67 -4.786 4.668 -4.034 1.00 0.00 C ATOM 972 O PRO A 67 -4.927 5.555 -4.875 1.00 0.00 O ATOM 973 CB PRO A 67 -7.009 5.416 -3.050 1.00 0.00 C ATOM 974 CG PRO A 67 -6.791 6.567 -2.083 1.00 0.00 C ATOM 975 CD PRO A 67 -5.670 6.173 -1.134 1.00 0.00 C ATOM 0 HA PRO A 67 -6.097 3.461 -2.940 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.100 5.778 -4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.930 4.880 -2.818 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.531 7.476 -2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.705 6.777 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.865 6.908 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.027 6.106 -0.106 1.00 0.00 H new ATOM 983 N HIS A 68 -3.788 3.796 -4.021 1.00 0.00 N ATOM 984 CA HIS A 68 -2.752 3.831 -5.039 1.00 0.00 C ATOM 985 C HIS A 68 -3.374 4.180 -6.393 1.00 0.00 C ATOM 986 O HIS A 68 -4.573 3.995 -6.596 1.00 0.00 O ATOM 987 CB HIS A 68 -1.975 2.512 -5.067 1.00 0.00 C ATOM 988 CG HIS A 68 -2.849 1.285 -5.173 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.698 0.340 -6.172 1.00 0.00 N ATOM 990 CD2 HIS A 68 -3.884 0.859 -4.393 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.607 -0.607 -5.993 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.341 -0.284 -4.890 1.00 0.00 N ATOM 0 H HIS A 68 -3.675 3.062 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.027 4.609 -4.799 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.284 2.527 -5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.372 2.438 -4.162 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.005 0.368 -6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.267 1.366 -3.519 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.743 -1.481 -6.612 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.508 4.694 -7.308 1.00 0.00 N ATOM 1002 CA PRO A 69 -2.960 5.072 -8.636 1.00 0.00 C ATOM 1003 C PRO A 69 -3.199 3.837 -9.506 1.00 0.00 C ATOM 1004 O PRO A 69 -2.250 3.214 -9.982 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.867 5.978 -9.179 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.636 5.703 -8.332 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.082 4.927 -7.102 1.00 0.00 C ATOM 0 HA PRO A 69 -3.919 5.590 -8.623 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.672 5.767 -10.231 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.160 7.026 -9.113 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.098 5.131 -8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.156 6.637 -8.041 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.537 3.988 -7.007 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.901 5.494 -6.189 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.474 3.518 -9.686 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.850 2.368 -10.491 1.00 0.00 C ATOM 1017 C LYS A 70 -6.316 2.499 -10.905 1.00 0.00 C ATOM 1018 O LYS A 70 -6.683 2.148 -12.026 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.534 1.068 -9.748 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.693 1.341 -8.499 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.452 2.230 -7.511 1.00 0.00 C ATOM 1022 CE LYS A 70 -5.935 1.863 -7.469 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.714 2.926 -6.798 1.00 0.00 N ATOM 0 H LYS A 70 -5.258 4.036 -9.288 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.261 2.335 -11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.462 0.572 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.998 0.388 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.432 0.398 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.758 1.823 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.020 2.125 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.341 3.276 -7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.308 1.716 -8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.067 0.919 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.532 2.504 -6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.112 3.410 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.046 3.612 -7.505 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.117 3.004 -9.978 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.536 3.185 -10.232 1.00 0.00 C ATOM 1039 C GLN A 71 -8.747 4.153 -11.399 1.00 0.00 C ATOM 1040 O GLN A 71 -9.373 5.200 -11.236 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.260 3.674 -8.977 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.584 2.509 -8.041 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.114 3.014 -6.698 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -9.257 2.870 -5.690 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 -11.226 3.502 -6.584 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.810 3.294 -9.049 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.962 2.219 -10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.639 4.402 -8.455 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.181 4.185 -9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.325 1.859 -8.507 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.689 1.908 -7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.834 3.583 -7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.548 3.829 -5.673 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.212 3.769 -12.548 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.333 4.590 -13.742 1.00 0.00 C ATOM 1056 C ARG A 72 -9.567 4.175 -14.547 1.00 0.00 C ATOM 1057 O ARG A 72 -10.380 5.018 -14.922 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.090 4.466 -14.624 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.418 4.792 -16.082 1.00 0.00 C ATOM 1060 CD ARG A 72 -7.614 3.514 -16.901 1.00 0.00 C ATOM 1061 NE ARG A 72 -7.223 3.750 -18.309 1.00 0.00 N ATOM 1062 CZ ARG A 72 -5.947 3.870 -18.731 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.924 3.776 -17.855 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -5.714 4.080 -20.014 1.00 0.00 N ATOM 0 H ARG A 72 -7.693 2.900 -12.678 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.435 5.627 -13.423 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.314 5.141 -14.262 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.690 3.454 -14.555 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.322 5.399 -16.128 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.613 5.386 -16.515 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.015 2.707 -16.479 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.656 3.197 -16.852 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.965 3.827 -19.004 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.113 3.613 -16.866 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.962 3.868 -18.182 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.493 4.149 -20.669 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.755 4.173 -20.350 1.00 0.00 H new ATOM 1078 N PRO A 73 -9.667 2.841 -14.798 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.787 2.304 -15.553 1.00 0.00 C ATOM 1080 C PRO A 73 -12.059 2.277 -14.703 1.00 0.00 C ATOM 1081 O PRO A 73 -12.140 2.954 -13.679 1.00 0.00 O ATOM 1082 CB PRO A 73 -10.337 0.921 -15.994 1.00 0.00 C ATOM 1083 CG PRO A 73 -9.176 0.552 -15.085 1.00 0.00 C ATOM 1084 CD PRO A 73 -8.723 1.814 -14.370 1.00 0.00 C ATOM 0 HA PRO A 73 -11.046 2.918 -16.416 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.149 0.199 -15.904 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.029 0.925 -17.039 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.482 -0.206 -14.364 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.357 0.128 -15.666 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.742 1.685 -13.288 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.701 2.078 -14.641 1.00 0.00 H new ATOM 1092 N GLY A 74 -13.019 1.489 -15.159 1.00 0.00 N ATOM 1093 CA GLY A 74 -14.284 1.363 -14.453 1.00 0.00 C ATOM 1094 C GLY A 74 -14.243 0.204 -13.455 1.00 0.00 C ATOM 1095 O GLY A 74 -14.955 0.220 -12.451 1.00 0.00 O ATOM 0 H GLY A 74 -12.948 0.930 -16.009 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.505 2.292 -13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.090 1.202 -15.169 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.231 -9.917 -10.969 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.477 -9.945 -9.537 1.00 0.00 C ATOM 1102 C HIS B 1 -6.214 -9.507 -8.792 1.00 0.00 C ATOM 1103 O HIS B 1 -5.519 -10.334 -8.202 1.00 0.00 O ATOM 1104 CB HIS B 1 -7.976 -11.323 -9.099 1.00 0.00 C ATOM 1105 CG HIS B 1 -9.180 -11.813 -9.867 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -9.328 -12.128 -11.186 1.00 0.00 N flip ATOM 1107 CD2 HIS B 1 -10.413 -12.025 -9.274 1.00 0.00 C flip ATOM 1108 CE1 HIS B 1 -10.582 -12.513 -11.387 1.00 0.00 C flip ATOM 1109 NE2 HIS B 1 -11.257 -12.449 -10.202 1.00 0.00 N flip ATOM 0 H1 HIS B 1 -8.138 -9.878 -11.476 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.664 -9.078 -11.208 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.715 -10.775 -11.249 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.269 -9.240 -9.286 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -7.167 -12.044 -9.213 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -8.224 -11.288 -8.038 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -10.647 -11.871 -8.231 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -11.000 -12.826 -12.333 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -12.238 -12.686 -10.057 1.00 0.00 H new ATOM 1118 N ARG B 2 -5.956 -8.209 -8.844 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.788 -7.652 -8.181 1.00 0.00 C ATOM 1120 C ARG B 2 -4.934 -6.135 -8.038 1.00 0.00 C ATOM 1121 O ARG B 2 -5.820 -5.533 -8.642 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.510 -7.964 -8.961 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.748 -9.127 -8.322 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.466 -8.636 -7.646 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.096 -9.547 -6.540 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.879 -9.790 -5.467 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.083 -9.192 -5.346 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.448 -10.623 -4.538 1.00 0.00 N ATOM 0 H ARG B 2 -6.535 -7.527 -9.334 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.717 -8.109 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.761 -8.212 -9.992 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.873 -7.080 -8.991 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.383 -9.623 -7.588 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.502 -9.867 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.657 -8.588 -8.374 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.611 -7.626 -7.263 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.194 -10.020 -6.591 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.409 -8.550 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.667 -9.382 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.537 -11.071 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -2.026 -10.819 -3.721 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.048 -5.562 -7.236 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.067 -4.127 -7.005 1.00 0.00 C ATOM 1144 C TYR B 3 -2.770 -3.477 -7.489 1.00 0.00 C ATOM 1145 O TYR B 3 -2.156 -2.694 -6.766 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.180 -3.945 -5.490 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.444 -5.242 -4.725 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.392 -6.072 -4.391 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.732 -5.584 -4.369 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.641 -7.293 -3.670 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -5.981 -6.806 -3.648 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.922 -7.601 -3.335 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.156 -8.755 -2.654 1.00 0.00 O ATOM 0 H TYR B 3 -3.313 -6.065 -6.739 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.892 -3.662 -7.545 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.258 -3.498 -5.119 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -4.984 -3.240 -5.278 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.383 -5.805 -4.670 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.555 -4.935 -4.631 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.827 -7.950 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -6.985 -7.085 -3.363 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.675 -8.559 -1.846 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.390 -3.826 -8.710 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.176 -3.287 -9.300 1.00 0.00 C ATOM 1165 C TYR B 4 -1.240 -1.761 -9.387 1.00 0.00 C ATOM 1166 O TYR B 4 -2.095 -1.135 -8.761 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.103 -3.865 -10.714 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.120 -5.028 -10.862 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.535 -6.318 -10.602 1.00 0.00 C ATOM 1170 CD2 TYR B 4 1.180 -4.785 -11.255 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.391 -7.414 -10.741 1.00 0.00 C ATOM 1172 CE2 TYR B 4 2.106 -5.881 -11.394 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.665 -7.140 -11.130 1.00 0.00 C ATOM 1174 OH TYR B 4 2.540 -8.174 -11.261 1.00 0.00 O ATOM 0 H TYR B 4 -2.902 -4.476 -9.307 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.306 -3.548 -8.697 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.096 -4.203 -11.009 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -0.818 -3.072 -11.405 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.553 -6.506 -10.295 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.503 -3.775 -11.458 1.00 0.00 H new ATOM 0 HE1 TYR B 4 0.080 -8.429 -10.541 1.00 0.00 H new ATOM 0 HE2 TYR B 4 3.127 -5.706 -11.701 1.00 0.00 H new ATOM 0 HH TYR B 4 3.265 -8.074 -10.609 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.325 -1.207 -10.167 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.265 0.235 -10.344 1.00 0.00 C ATOM 1186 C GLU B 5 -0.784 0.621 -11.730 1.00 0.00 C ATOM 1187 O GLU B 5 -0.218 1.494 -12.387 1.00 0.00 O ATOM 1188 CB GLU B 5 1.156 0.756 -10.125 1.00 0.00 C ATOM 1189 CG GLU B 5 1.987 0.634 -11.403 1.00 0.00 C ATOM 1190 CD GLU B 5 2.365 2.015 -11.946 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.986 2.813 -11.230 1.00 0.00 O ATOM 1192 OE2 GLU B 5 1.992 2.246 -13.159 1.00 0.00 O ATOM 0 H GLU B 5 0.382 -1.730 -10.684 1.00 0.00 H new ATOM 0 HA GLU B 5 -0.906 0.701 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU B 5 1.120 1.798 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.633 0.195 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.891 0.059 -11.200 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.423 0.085 -12.157 1.00 0.00 H new ATOM 1200 N SER B 6 -1.854 -0.046 -12.135 1.00 0.00 N ATOM 1201 CA SER B 6 -2.456 0.216 -13.430 1.00 0.00 C ATOM 1202 C SER B 6 -3.965 -0.030 -13.367 1.00 0.00 C ATOM 1203 O SER B 6 -4.686 0.269 -14.318 1.00 0.00 O ATOM 1204 CB SER B 6 -1.821 -0.654 -14.517 1.00 0.00 C ATOM 1205 OG SER B 6 -2.119 -0.175 -15.826 1.00 0.00 O ATOM 0 H SER B 6 -2.320 -0.769 -11.587 1.00 0.00 H new ATOM 0 HA SER B 6 -2.276 1.260 -13.686 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.740 -0.678 -14.377 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.178 -1.679 -14.416 1.00 0.00 H new ATOM 0 HG SER B 6 -3.049 0.133 -15.858 1.00 0.00 H new ATOM 1211 N SER B 7 -4.397 -0.572 -12.239 1.00 0.00 N ATOM 1212 CA SER B 7 -5.806 -0.862 -12.039 1.00 0.00 C ATOM 1213 C SER B 7 -6.057 -1.267 -10.585 1.00 0.00 C ATOM 1214 O SER B 7 -5.115 -1.533 -9.839 1.00 0.00 O ATOM 1215 CB SER B 7 -6.281 -1.965 -12.986 1.00 0.00 C ATOM 1216 OG SER B 7 -7.586 -2.431 -12.651 1.00 0.00 O ATOM 0 H SER B 7 -3.795 -0.818 -11.453 1.00 0.00 H new ATOM 0 HA SER B 7 -6.375 0.041 -12.261 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.282 -1.589 -14.009 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.579 -2.798 -12.953 1.00 0.00 H new ATOM 0 HG SER B 7 -8.230 -1.699 -12.749 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.332 -1.301 -10.224 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.717 -1.668 -8.873 1.00 0.00 C ATOM 1224 C LEU B 8 -8.751 -2.795 -8.932 1.00 0.00 C ATOM 1225 O LEU B 8 -8.920 -3.537 -7.965 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.193 -0.437 -8.098 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.182 -0.561 -6.573 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.369 -1.393 -6.082 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.846 -1.117 -6.076 1.00 0.00 C ATOM 0 H LEU B 8 -8.111 -1.080 -10.844 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.858 -2.050 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.566 0.410 -8.379 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.208 -0.201 -8.417 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.291 0.437 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.337 -1.466 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.300 -0.914 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.316 -2.392 -6.514 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.866 -1.195 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.680 -2.104 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.039 -0.449 -6.377 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.415 -2.888 -10.073 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.428 -3.911 -10.271 1.00 0.00 C ATOM 1243 C GLU B 9 -9.771 -5.246 -10.628 1.00 0.00 C ATOM 1244 O GLU B 9 -8.751 -5.275 -11.314 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.434 -3.489 -11.344 1.00 0.00 C ATOM 1246 CG GLU B 9 -11.896 -2.048 -11.125 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.919 -1.968 -9.989 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -12.634 -2.407 -8.865 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -14.045 -1.424 -10.307 1.00 0.00 O ATOM 0 H GLU B 9 -9.272 -2.271 -10.872 1.00 0.00 H new ATOM 0 HA GLU B 9 -10.976 -4.036 -9.337 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -10.980 -3.583 -12.330 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.295 -4.158 -11.324 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.037 -1.418 -10.891 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.336 -1.659 -12.044 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.400 -6.347 -10.135 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.887 -7.681 -10.396 1.00 0.00 C ATOM 1259 C PRO B 10 -10.187 -8.112 -11.833 1.00 0.00 C ATOM 1260 O PRO B 10 -10.217 -9.304 -12.135 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.556 -8.568 -9.359 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.761 -7.790 -8.859 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.610 -6.349 -9.319 1.00 0.00 C ATOM 0 HA PRO B 10 -8.802 -7.739 -10.311 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.860 -9.519 -9.796 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.872 -8.797 -8.541 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.683 -8.221 -9.250 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.823 -7.839 -7.772 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.477 -6.024 -9.895 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.517 -5.670 -8.471 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.398 -7.118 -12.684 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.693 -7.378 -14.081 1.00 0.00 C ATOM 1273 C TRP B 11 -9.670 -6.621 -14.931 1.00 0.00 C ATOM 1274 O TRP B 11 -9.216 -7.124 -15.957 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.140 -7.008 -14.416 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.801 -7.934 -15.437 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.130 -7.661 -16.707 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.201 -9.304 -15.223 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.711 -8.749 -17.325 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -13.756 -9.780 -16.393 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -13.098 -10.114 -14.079 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -14.251 -11.083 -16.533 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -13.598 -11.412 -14.234 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -14.159 -11.908 -15.405 1.00 0.00 C ATOM 0 H TRP B 11 -10.370 -6.130 -12.431 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.607 -8.442 -14.300 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.728 -7.018 -13.498 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.164 -5.988 -14.798 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.961 -6.708 -17.187 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -14.046 -8.790 -18.288 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -12.667 -9.762 -13.153 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -14.680 -11.432 -17.460 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -13.544 -12.075 -13.383 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -14.522 -12.924 -15.445 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.339 -5.424 -14.472 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.379 -4.592 -15.176 1.00 0.00 C ATOM 1297 C TYR B 12 -6.955 -4.854 -14.679 1.00 0.00 C ATOM 1298 O TYR B 12 -6.006 -4.821 -15.460 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.759 -3.145 -14.855 1.00 0.00 C ATOM 1300 CG TYR B 12 -9.873 -2.582 -15.741 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.192 -2.881 -15.463 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -9.560 -1.776 -16.816 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.240 -2.352 -16.297 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -10.607 -1.247 -17.649 1.00 0.00 C ATOM 1305 CZ TYR B 12 -11.896 -1.562 -17.349 1.00 0.00 C ATOM 1306 OH TYR B 12 -12.887 -1.061 -18.137 1.00 0.00 O ATOM 0 H TYR B 12 -9.719 -5.010 -13.621 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.401 -4.804 -16.245 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.073 -3.085 -13.813 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -7.874 -2.517 -14.958 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -11.437 -3.511 -14.621 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -8.528 -1.542 -17.032 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -13.276 -2.578 -16.092 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -10.375 -0.614 -18.493 1.00 0.00 H new ATOM 0 HH TYR B 12 -12.494 -0.514 -18.849 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.851 -5.118 -13.349 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.561 -5.386 -12.738 1.00 0.00 C ATOM 1318 C PRO B 13 -5.070 -6.791 -13.090 1.00 0.00 C ATOM 1319 O PRO B 13 -3.883 -6.994 -13.341 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.783 -5.190 -11.248 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.284 -5.274 -11.034 1.00 0.00 C ATOM 1322 CD PRO B 13 -7.955 -5.165 -12.394 1.00 0.00 C ATOM 0 HA PRO B 13 -4.777 -4.721 -13.101 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.263 -5.956 -10.672 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.395 -4.226 -10.919 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.549 -6.215 -10.552 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.621 -4.473 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.607 -6.018 -12.584 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.574 -4.270 -12.460 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.009 -7.727 -13.096 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.686 -9.108 -13.413 1.00 0.00 C ATOM 1332 C ASP B 14 -6.981 -9.918 -13.520 1.00 0.00 C ATOM 1333 O ASP B 14 -8.006 -9.401 -13.960 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.824 -9.737 -12.316 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.902 -11.263 -12.229 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.278 -11.826 -11.190 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.550 -11.889 -13.301 1.00 0.00 O ATOM 0 H ASP B 14 -6.993 -7.556 -12.887 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.137 -9.119 -14.354 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.786 -9.450 -12.481 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.122 -9.317 -11.355 1.00 0.00 H new