USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 503 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 55 GLN : amide:sc= -0.273 K(o=-0.54,f=-0.031) USER MOD Set 1.2: A 58 MET CE :methyl -174:sc= -0.269 (180deg=-0.0309) USER MOD Single : A 1 HIS : no HD1:sc= -3.14! K(o=-3.1!,f=-1.4) USER MOD Single : A 1 HIS N :NH3+ 146:sc= 0.0105 (180deg=-0.371) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -12:sc= 0.387 USER MOD Single : A 10 TYR OH : rot -3:sc= 1.28 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 39:sc= -0.49! USER MOD Single : A 18 SER OG : rot 180:sc= 0.135 USER MOD Single : A 20 MET CE :methyl -138:sc= -10.9! (180deg=-16.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 THR OG1 : rot 83:sc=-0.00712 USER MOD Single : A 27 SER OG : rot 180:sc= -0.132 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 32 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0861) USER MOD Single : A 39 THR OG1 : rot 142:sc= 0.0925 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0541 K(o=-0.054,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ -136:sc= -0.169 (180deg=-1.38!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 54:sc= 0.3 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 7.735 -39.119 -0.640 1.00 0.00 N ATOM 2 CA HIS A 1 7.160 -38.484 0.582 1.00 0.00 C ATOM 3 C HIS A 1 5.826 -39.143 0.943 1.00 0.00 C ATOM 4 O HIS A 1 5.026 -39.457 0.084 1.00 0.00 O ATOM 5 CB HIS A 1 6.950 -37.019 0.203 1.00 0.00 C ATOM 6 CG HIS A 1 5.898 -36.924 -0.868 1.00 0.00 C ATOM 7 ND1 HIS A 1 6.211 -36.650 -2.190 1.00 0.00 N ATOM 8 CD2 HIS A 1 4.533 -37.063 -0.828 1.00 0.00 C ATOM 9 CE1 HIS A 1 5.059 -36.632 -2.885 1.00 0.00 C ATOM 10 NE2 HIS A 1 4.005 -36.878 -2.102 1.00 0.00 N ATOM 0 H1 HIS A 1 8.244 -38.403 -1.197 1.00 0.00 H new ATOM 0 H2 HIS A 1 8.394 -39.874 -0.362 1.00 0.00 H new ATOM 0 H3 HIS A 1 6.968 -39.524 -1.214 1.00 0.00 H new ATOM 0 HA HIS A 1 7.811 -38.592 1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 1 6.645 -36.446 1.079 1.00 0.00 H new ATOM 0 HB3 HIS A 1 7.885 -36.586 -0.152 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.956 -37.283 0.058 1.00 0.00 H new ATOM 0 HE1 HIS A 1 4.994 -36.442 -3.946 1.00 0.00 H new ATOM 0 HE2 HIS A 1 3.024 -36.921 -2.379 1.00 0.00 H new ATOM 20 N PHE A 2 5.578 -39.357 2.208 1.00 0.00 N ATOM 21 CA PHE A 2 4.294 -39.998 2.615 1.00 0.00 C ATOM 22 C PHE A 2 3.212 -38.936 2.843 1.00 0.00 C ATOM 23 O PHE A 2 2.901 -38.583 3.964 1.00 0.00 O ATOM 24 CB PHE A 2 4.609 -40.729 3.921 1.00 0.00 C ATOM 25 CG PHE A 2 3.637 -41.871 4.099 1.00 0.00 C ATOM 26 CD1 PHE A 2 2.260 -41.623 4.099 1.00 0.00 C ATOM 27 CD2 PHE A 2 4.115 -43.175 4.263 1.00 0.00 C ATOM 28 CE1 PHE A 2 1.359 -42.682 4.262 1.00 0.00 C ATOM 29 CE2 PHE A 2 3.214 -44.235 4.426 1.00 0.00 C ATOM 30 CZ PHE A 2 1.836 -43.988 4.426 1.00 0.00 C ATOM 0 H PHE A 2 6.207 -39.117 2.974 1.00 0.00 H new ATOM 0 HA PHE A 2 3.915 -40.675 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.632 -41.106 3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 2 4.538 -40.041 4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.892 -40.615 3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.178 -43.365 4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.296 -42.492 4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.582 -45.242 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 2 1.141 -44.805 4.553 1.00 0.00 H new ATOM 40 N ALA A 3 2.633 -38.430 1.789 1.00 0.00 N ATOM 41 CA ALA A 3 1.567 -37.399 1.943 1.00 0.00 C ATOM 42 C ALA A 3 2.140 -36.127 2.577 1.00 0.00 C ATOM 43 O ALA A 3 3.296 -36.072 2.944 1.00 0.00 O ATOM 44 CB ALA A 3 0.529 -38.038 2.867 1.00 0.00 C ATOM 0 H ALA A 3 2.852 -38.686 0.826 1.00 0.00 H new ATOM 0 HA ALA A 3 1.137 -37.107 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.292 -37.339 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.144 -38.949 2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.994 -38.282 3.822 1.00 0.00 H new ATOM 50 N ALA A 4 1.337 -35.105 2.706 1.00 0.00 N ATOM 51 CA ALA A 4 1.832 -33.836 3.313 1.00 0.00 C ATOM 52 C ALA A 4 0.937 -33.415 4.482 1.00 0.00 C ATOM 53 O ALA A 4 -0.041 -34.066 4.794 1.00 0.00 O ATOM 54 CB ALA A 4 1.755 -32.806 2.186 1.00 0.00 C ATOM 0 H ALA A 4 0.359 -35.094 2.417 1.00 0.00 H new ATOM 0 HA ALA A 4 2.842 -33.938 3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.103 -31.840 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.383 -33.128 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.723 -32.715 1.846 1.00 0.00 H new ATOM 60 N ASP A 5 1.263 -32.329 5.128 1.00 0.00 N ATOM 61 CA ASP A 5 0.432 -31.864 6.275 1.00 0.00 C ATOM 62 C ASP A 5 -0.975 -31.500 5.795 1.00 0.00 C ATOM 63 O ASP A 5 -1.210 -31.306 4.619 1.00 0.00 O ATOM 64 CB ASP A 5 1.155 -30.625 6.809 1.00 0.00 C ATOM 65 CG ASP A 5 1.763 -30.940 8.178 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.832 -31.527 8.207 1.00 0.00 O ATOM 67 OD2 ASP A 5 1.150 -30.589 9.171 1.00 0.00 O ATOM 0 H ASP A 5 2.069 -31.743 4.911 1.00 0.00 H new ATOM 0 HA ASP A 5 0.317 -32.631 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.937 -30.319 6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.458 -29.791 6.892 1.00 0.00 H new ATOM 72 N CYS A 6 -1.913 -31.404 6.698 1.00 0.00 N ATOM 73 CA CYS A 6 -3.303 -31.051 6.293 1.00 0.00 C ATOM 74 C CYS A 6 -3.968 -30.208 7.383 1.00 0.00 C ATOM 75 O CYS A 6 -3.812 -30.463 8.561 1.00 0.00 O ATOM 76 CB CYS A 6 -4.023 -32.392 6.133 1.00 0.00 C ATOM 77 SG CYS A 6 -3.595 -33.118 4.532 1.00 0.00 S ATOM 0 H CYS A 6 -1.777 -31.555 7.698 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.332 -30.464 5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.738 -33.068 6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.101 -32.249 6.203 1.00 0.00 H new ATOM 82 N CYS A 7 -4.704 -29.201 7.000 1.00 0.00 N ATOM 83 CA CYS A 7 -5.371 -28.338 8.012 1.00 0.00 C ATOM 84 C CYS A 7 -6.772 -28.865 8.328 1.00 0.00 C ATOM 85 O CYS A 7 -7.524 -29.235 7.448 1.00 0.00 O ATOM 86 CB CYS A 7 -5.465 -26.966 7.350 1.00 0.00 C ATOM 87 SG CYS A 7 -4.063 -25.942 7.859 1.00 0.00 S ATOM 0 H CYS A 7 -4.872 -28.939 6.029 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.822 -28.311 8.953 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.472 -27.075 6.266 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.401 -26.481 7.628 1.00 0.00 H new ATOM 92 N THR A 8 -7.131 -28.885 9.581 1.00 0.00 N ATOM 93 CA THR A 8 -8.489 -29.366 9.967 1.00 0.00 C ATOM 94 C THR A 8 -9.363 -28.163 10.322 1.00 0.00 C ATOM 95 O THR A 8 -10.576 -28.241 10.354 1.00 0.00 O ATOM 96 CB THR A 8 -8.266 -30.254 11.191 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.472 -30.935 11.508 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.835 -29.392 12.379 1.00 0.00 C ATOM 0 H THR A 8 -6.541 -28.588 10.358 1.00 0.00 H new ATOM 0 HA THR A 8 -8.990 -29.912 9.167 1.00 0.00 H new ATOM 0 HB THR A 8 -7.485 -30.983 10.973 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.329 -31.506 12.292 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.677 -30.027 13.251 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.908 -28.873 12.135 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.613 -28.661 12.599 1.00 0.00 H new ATOM 106 N SER A 9 -8.742 -27.045 10.581 1.00 0.00 N ATOM 107 CA SER A 9 -9.504 -25.814 10.928 1.00 0.00 C ATOM 108 C SER A 9 -8.612 -24.590 10.700 1.00 0.00 C ATOM 109 O SER A 9 -7.430 -24.616 10.979 1.00 0.00 O ATOM 110 CB SER A 9 -9.852 -25.963 12.409 1.00 0.00 C ATOM 111 OG SER A 9 -10.709 -27.083 12.585 1.00 0.00 O ATOM 0 H SER A 9 -7.728 -26.932 10.567 1.00 0.00 H new ATOM 0 HA SER A 9 -10.400 -25.685 10.321 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.943 -26.092 12.996 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.340 -25.058 12.772 1.00 0.00 H new ATOM 0 HG SER A 9 -11.037 -27.384 11.712 1.00 0.00 H new ATOM 117 N TYR A 10 -9.159 -23.524 10.186 1.00 0.00 N ATOM 118 CA TYR A 10 -8.326 -22.313 9.933 1.00 0.00 C ATOM 119 C TYR A 10 -8.327 -21.398 11.161 1.00 0.00 C ATOM 120 O TYR A 10 -9.084 -21.591 12.091 1.00 0.00 O ATOM 121 CB TYR A 10 -8.984 -21.625 8.736 1.00 0.00 C ATOM 122 CG TYR A 10 -9.044 -22.595 7.580 1.00 0.00 C ATOM 123 CD1 TYR A 10 -7.861 -23.033 6.970 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.281 -23.063 7.122 1.00 0.00 C ATOM 125 CE1 TYR A 10 -7.916 -23.939 5.904 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.337 -23.969 6.057 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.155 -24.408 5.448 1.00 0.00 C ATOM 128 OH TYR A 10 -9.211 -25.302 4.399 1.00 0.00 O ATOM 0 H TYR A 10 -10.143 -23.438 9.931 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.283 -22.561 9.734 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.988 -21.291 8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.417 -20.738 8.454 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.906 -22.672 7.322 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.193 -22.725 7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.004 -24.276 5.434 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.292 -24.330 5.705 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.307 -25.462 4.057 1.00 0.00 H new ATOM 138 N ILE A 11 -7.475 -20.408 11.174 1.00 0.00 N ATOM 139 CA ILE A 11 -7.422 -19.488 12.348 1.00 0.00 C ATOM 140 C ILE A 11 -8.769 -18.783 12.532 1.00 0.00 C ATOM 141 O ILE A 11 -9.771 -19.179 11.968 1.00 0.00 O ATOM 142 CB ILE A 11 -6.311 -18.473 12.039 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.825 -17.420 11.057 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.096 -19.175 11.432 1.00 0.00 C ATOM 145 CD1 ILE A 11 -7.064 -18.066 9.693 1.00 0.00 C ATOM 0 H ILE A 11 -6.815 -20.197 10.425 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.217 -20.026 13.273 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.016 -17.993 12.972 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.750 -16.981 11.430 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.102 -16.610 10.965 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.320 -18.440 11.220 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.713 -19.914 12.136 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.388 -19.672 10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.430 -17.314 8.994 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.129 -18.484 9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.803 -18.861 9.791 1.00 0.00 H new ATOM 157 N SER A 12 -8.803 -17.750 13.327 1.00 0.00 N ATOM 158 CA SER A 12 -10.088 -17.028 13.559 1.00 0.00 C ATOM 159 C SER A 12 -10.155 -15.747 12.726 1.00 0.00 C ATOM 160 O SER A 12 -11.218 -15.240 12.427 1.00 0.00 O ATOM 161 CB SER A 12 -10.093 -16.695 15.053 1.00 0.00 C ATOM 162 OG SER A 12 -8.778 -16.815 15.575 1.00 0.00 O ATOM 0 H SER A 12 -7.997 -17.374 13.827 1.00 0.00 H new ATOM 0 HA SER A 12 -10.948 -17.631 13.268 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.465 -15.682 15.208 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.768 -17.367 15.583 1.00 0.00 H new ATOM 0 HG SER A 12 -8.785 -16.599 16.531 1.00 0.00 H new ATOM 168 N GLN A 13 -9.029 -15.220 12.355 1.00 0.00 N ATOM 169 CA GLN A 13 -9.019 -13.967 11.543 1.00 0.00 C ATOM 170 C GLN A 13 -7.885 -14.007 10.518 1.00 0.00 C ATOM 171 O GLN A 13 -7.251 -15.020 10.320 1.00 0.00 O ATOM 172 CB GLN A 13 -8.788 -12.845 12.555 1.00 0.00 C ATOM 173 CG GLN A 13 -7.460 -13.080 13.278 1.00 0.00 C ATOM 174 CD GLN A 13 -7.187 -11.920 14.238 1.00 0.00 C ATOM 175 OE1 GLN A 13 -7.838 -11.793 15.256 1.00 0.00 O ATOM 176 NE2 GLN A 13 -6.244 -11.064 13.956 1.00 0.00 N ATOM 0 H GLN A 13 -8.109 -15.600 12.577 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.944 -13.830 10.984 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.773 -11.880 12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.606 -12.815 13.274 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.495 -14.020 13.828 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.650 -13.165 12.554 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.697 -11.171 13.101 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.053 -10.288 14.590 1.00 0.00 H new ATOM 185 N SER A 14 -7.621 -12.912 9.863 1.00 0.00 N ATOM 186 CA SER A 14 -6.524 -12.898 8.855 1.00 0.00 C ATOM 187 C SER A 14 -5.265 -13.543 9.443 1.00 0.00 C ATOM 188 O SER A 14 -5.043 -13.511 10.638 1.00 0.00 O ATOM 189 CB SER A 14 -6.280 -11.419 8.555 1.00 0.00 C ATOM 190 OG SER A 14 -6.040 -11.250 7.166 1.00 0.00 O ATOM 0 H SER A 14 -8.116 -12.028 9.981 1.00 0.00 H new ATOM 0 HA SER A 14 -6.779 -13.457 7.955 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.144 -10.828 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.427 -11.057 9.129 1.00 0.00 H new ATOM 0 HG SER A 14 -6.636 -11.838 6.657 1.00 0.00 H new ATOM 196 N ILE A 15 -4.440 -14.129 8.619 1.00 0.00 N ATOM 197 CA ILE A 15 -3.200 -14.772 9.143 1.00 0.00 C ATOM 198 C ILE A 15 -2.203 -13.699 9.585 1.00 0.00 C ATOM 199 O ILE A 15 -2.022 -12.703 8.913 1.00 0.00 O ATOM 200 CB ILE A 15 -2.626 -15.569 7.970 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.477 -16.818 7.733 1.00 0.00 C ATOM 202 CG2 ILE A 15 -1.190 -15.990 8.294 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.369 -17.748 8.945 1.00 0.00 C ATOM 0 H ILE A 15 -4.569 -14.191 7.609 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.403 -15.408 10.005 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.633 -14.948 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.517 -16.536 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.141 -17.335 6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.780 -16.558 7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.580 -15.103 8.463 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.186 -16.610 9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.975 -18.638 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.329 -18.040 9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.726 -17.229 9.835 1.00 0.00 H new ATOM 215 N PRO A 16 -1.581 -13.949 10.702 1.00 0.00 N ATOM 216 CA PRO A 16 -0.580 -13.001 11.242 1.00 0.00 C ATOM 217 C PRO A 16 0.731 -13.123 10.465 1.00 0.00 C ATOM 218 O PRO A 16 1.622 -13.853 10.847 1.00 0.00 O ATOM 219 CB PRO A 16 -0.396 -13.463 12.683 1.00 0.00 C ATOM 220 CG PRO A 16 -0.765 -14.914 12.677 1.00 0.00 C ATOM 221 CD PRO A 16 -1.756 -15.125 11.560 1.00 0.00 C ATOM 0 HA PRO A 16 -0.888 -11.958 11.168 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.632 -13.319 13.015 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.033 -12.897 13.363 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.119 -15.534 12.527 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.199 -15.203 13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.554 -16.048 11.017 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.776 -15.194 11.939 1.00 0.00 H new ATOM 229 N CYS A 17 0.859 -12.411 9.380 1.00 0.00 N ATOM 230 CA CYS A 17 2.124 -12.487 8.593 1.00 0.00 C ATOM 231 C CYS A 17 3.289 -12.022 9.470 1.00 0.00 C ATOM 232 O CYS A 17 4.410 -12.483 9.344 1.00 0.00 O ATOM 233 CB CYS A 17 1.947 -11.520 7.414 1.00 0.00 C ATOM 234 SG CYS A 17 0.340 -11.766 6.614 1.00 0.00 S ATOM 0 H CYS A 17 0.148 -11.783 9.005 1.00 0.00 H new ATOM 0 HA CYS A 17 2.332 -13.501 8.251 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.029 -10.492 7.766 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.746 -11.674 6.689 1.00 0.00 H new ATOM 239 N SER A 18 3.021 -11.107 10.366 1.00 0.00 N ATOM 240 CA SER A 18 4.089 -10.582 11.262 1.00 0.00 C ATOM 241 C SER A 18 4.538 -11.635 12.284 1.00 0.00 C ATOM 242 O SER A 18 5.314 -11.348 13.175 1.00 0.00 O ATOM 243 CB SER A 18 3.440 -9.394 11.969 1.00 0.00 C ATOM 244 OG SER A 18 2.070 -9.674 12.218 1.00 0.00 O ATOM 0 H SER A 18 2.098 -10.699 10.515 1.00 0.00 H new ATOM 0 HA SER A 18 4.985 -10.307 10.706 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.956 -9.191 12.908 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.532 -8.498 11.355 1.00 0.00 H new ATOM 0 HG SER A 18 1.658 -8.910 12.673 1.00 0.00 H new ATOM 250 N LEU A 19 4.072 -12.846 12.169 1.00 0.00 N ATOM 251 CA LEU A 19 4.488 -13.895 13.139 1.00 0.00 C ATOM 252 C LEU A 19 4.816 -15.191 12.393 1.00 0.00 C ATOM 253 O LEU A 19 4.661 -16.274 12.919 1.00 0.00 O ATOM 254 CB LEU A 19 3.277 -14.096 14.053 1.00 0.00 C ATOM 255 CG LEU A 19 3.597 -13.572 15.455 1.00 0.00 C ATOM 256 CD1 LEU A 19 2.453 -12.675 15.937 1.00 0.00 C ATOM 257 CD2 LEU A 19 3.757 -14.751 16.416 1.00 0.00 C ATOM 0 H LEU A 19 3.422 -13.155 11.446 1.00 0.00 H new ATOM 0 HA LEU A 19 5.377 -13.612 13.702 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.412 -13.572 13.647 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.016 -15.153 14.100 1.00 0.00 H new ATOM 0 HG LEU A 19 4.523 -12.998 15.426 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.680 -12.301 16.935 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.336 -11.835 15.253 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.527 -13.250 15.966 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.985 -14.378 17.415 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.831 -15.325 16.446 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.570 -15.392 16.074 1.00 0.00 H new ATOM 269 N MET A 20 5.265 -15.093 11.166 1.00 0.00 N ATOM 270 CA MET A 20 5.591 -16.336 10.405 1.00 0.00 C ATOM 271 C MET A 20 6.840 -16.126 9.541 1.00 0.00 C ATOM 272 O MET A 20 7.044 -15.075 8.967 1.00 0.00 O ATOM 273 CB MET A 20 4.379 -16.610 9.502 1.00 0.00 C ATOM 274 CG MET A 20 3.070 -16.221 10.199 1.00 0.00 C ATOM 275 SD MET A 20 2.608 -17.501 11.391 1.00 0.00 S ATOM 276 CE MET A 20 0.840 -17.529 11.003 1.00 0.00 C ATOM 0 H MET A 20 5.418 -14.218 10.665 1.00 0.00 H new ATOM 0 HA MET A 20 5.794 -17.168 11.080 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.480 -16.049 8.573 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.352 -17.667 9.235 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.188 -15.264 10.707 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.278 -16.095 9.461 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.266 -17.594 11.927 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.570 -16.617 10.471 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.619 -18.393 10.377 1.00 0.00 H new ATOM 286 N LYS A 21 7.676 -17.125 9.447 1.00 0.00 N ATOM 287 CA LYS A 21 8.912 -16.996 8.623 1.00 0.00 C ATOM 288 C LYS A 21 8.689 -17.583 7.223 1.00 0.00 C ATOM 289 O LYS A 21 9.262 -17.126 6.254 1.00 0.00 O ATOM 290 CB LYS A 21 9.972 -17.796 9.384 1.00 0.00 C ATOM 291 CG LYS A 21 11.143 -18.118 8.451 1.00 0.00 C ATOM 292 CD LYS A 21 12.241 -18.835 9.242 1.00 0.00 C ATOM 293 CE LYS A 21 13.327 -19.322 8.281 1.00 0.00 C ATOM 294 NZ LYS A 21 14.489 -19.657 9.153 1.00 0.00 N ATOM 0 H LYS A 21 7.555 -18.027 9.907 1.00 0.00 H new ATOM 0 HA LYS A 21 9.207 -15.957 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.325 -17.225 10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.538 -18.718 9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.804 -18.746 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.536 -17.201 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.671 -18.160 9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.819 -19.679 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.993 -20.192 7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.587 -18.551 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.276 -19.999 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.789 -18.808 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.214 -20.398 9.829 1.00 0.00 H new ATOM 308 N SER A 22 7.868 -18.593 7.107 1.00 0.00 N ATOM 309 CA SER A 22 7.625 -19.199 5.765 1.00 0.00 C ATOM 310 C SER A 22 6.194 -19.729 5.676 1.00 0.00 C ATOM 311 O SER A 22 5.439 -19.661 6.622 1.00 0.00 O ATOM 312 CB SER A 22 8.630 -20.347 5.665 1.00 0.00 C ATOM 313 OG SER A 22 8.786 -20.724 4.304 1.00 0.00 O ATOM 0 H SER A 22 7.358 -19.023 7.879 1.00 0.00 H new ATOM 0 HA SER A 22 7.746 -18.478 4.956 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.590 -20.041 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.285 -21.198 6.252 1.00 0.00 H new ATOM 0 HG SER A 22 9.431 -21.459 4.240 1.00 0.00 H new ATOM 319 N TYR A 23 5.814 -20.249 4.540 1.00 0.00 N ATOM 320 CA TYR A 23 4.430 -20.785 4.387 1.00 0.00 C ATOM 321 C TYR A 23 4.420 -21.934 3.372 1.00 0.00 C ATOM 322 O TYR A 23 5.256 -21.998 2.492 1.00 0.00 O ATOM 323 CB TYR A 23 3.611 -19.601 3.877 1.00 0.00 C ATOM 324 CG TYR A 23 4.011 -19.286 2.455 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.470 -20.024 1.396 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.918 -18.252 2.195 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.835 -19.728 0.078 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.283 -17.956 0.877 1.00 0.00 C ATOM 329 CZ TYR A 23 4.741 -18.693 -0.182 1.00 0.00 C ATOM 330 OH TYR A 23 5.100 -18.401 -1.483 1.00 0.00 O ATOM 0 H TYR A 23 6.402 -20.326 3.710 1.00 0.00 H new ATOM 0 HA TYR A 23 4.029 -21.186 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.547 -19.834 3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.775 -18.731 4.513 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.771 -20.822 1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.336 -17.683 3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.418 -20.298 -0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.983 -17.158 0.677 1.00 0.00 H new ATOM 0 HH TYR A 23 4.357 -18.619 -2.084 1.00 0.00 H new ATOM 340 N PHE A 24 3.478 -22.837 3.469 1.00 0.00 N ATOM 341 CA PHE A 24 3.435 -23.961 2.486 1.00 0.00 C ATOM 342 C PHE A 24 1.991 -24.410 2.246 1.00 0.00 C ATOM 343 O PHE A 24 1.177 -24.426 3.148 1.00 0.00 O ATOM 344 CB PHE A 24 4.272 -25.086 3.114 1.00 0.00 C ATOM 345 CG PHE A 24 3.430 -25.912 4.064 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.501 -26.837 3.564 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.585 -25.757 5.447 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.731 -27.603 4.447 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.814 -26.522 6.328 1.00 0.00 C ATOM 350 CZ PHE A 24 1.887 -27.445 5.830 1.00 0.00 C ATOM 0 H PHE A 24 2.745 -22.846 4.178 1.00 0.00 H new ATOM 0 HA PHE A 24 3.830 -23.669 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.678 -25.725 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.121 -24.660 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.380 -26.958 2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.300 -25.046 5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.017 -28.316 4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.934 -26.400 7.394 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.292 -28.035 6.512 1.00 0.00 H new ATOM 360 N GLU A 25 1.671 -24.780 1.037 1.00 0.00 N ATOM 361 CA GLU A 25 0.282 -25.232 0.741 1.00 0.00 C ATOM 362 C GLU A 25 0.182 -26.747 0.930 1.00 0.00 C ATOM 363 O GLU A 25 1.114 -27.479 0.662 1.00 0.00 O ATOM 364 CB GLU A 25 0.039 -24.850 -0.720 1.00 0.00 C ATOM 365 CG GLU A 25 1.042 -25.577 -1.616 1.00 0.00 C ATOM 366 CD GLU A 25 1.607 -24.599 -2.646 1.00 0.00 C ATOM 367 OE1 GLU A 25 2.402 -23.757 -2.261 1.00 0.00 O ATOM 368 OE2 GLU A 25 1.235 -24.706 -3.804 1.00 0.00 O ATOM 0 H GLU A 25 2.310 -24.789 0.242 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.456 -24.776 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.979 -25.112 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.139 -23.772 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.849 -25.994 -1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.557 -26.413 -2.120 1.00 0.00 H new ATOM 375 N THR A 26 -0.938 -27.222 1.399 1.00 0.00 N ATOM 376 CA THR A 26 -1.090 -28.688 1.615 1.00 0.00 C ATOM 377 C THR A 26 -1.452 -29.393 0.306 1.00 0.00 C ATOM 378 O THR A 26 -1.358 -28.826 -0.766 1.00 0.00 O ATOM 379 CB THR A 26 -2.234 -28.823 2.620 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.435 -28.343 2.034 1.00 0.00 O ATOM 381 CG2 THR A 26 -1.914 -28.007 3.873 1.00 0.00 C ATOM 0 H THR A 26 -1.754 -26.660 1.642 1.00 0.00 H new ATOM 0 HA THR A 26 -0.167 -29.143 1.974 1.00 0.00 H new ATOM 0 HB THR A 26 -2.356 -29.871 2.894 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.836 -29.049 1.485 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.730 -28.104 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.992 -28.376 4.322 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.791 -26.958 3.603 1.00 0.00 H new ATOM 389 N SER A 27 -1.866 -30.628 0.389 1.00 0.00 N ATOM 390 CA SER A 27 -2.238 -31.380 -0.845 1.00 0.00 C ATOM 391 C SER A 27 -3.757 -31.366 -1.037 1.00 0.00 C ATOM 392 O SER A 27 -4.512 -31.510 -0.096 1.00 0.00 O ATOM 393 CB SER A 27 -1.743 -32.806 -0.603 1.00 0.00 C ATOM 394 OG SER A 27 -0.346 -32.786 -0.351 1.00 0.00 O ATOM 0 H SER A 27 -1.963 -31.150 1.260 1.00 0.00 H new ATOM 0 HA SER A 27 -1.801 -30.942 -1.742 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.270 -33.246 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.958 -33.429 -1.471 1.00 0.00 H new ATOM 0 HG SER A 27 -0.029 -33.700 -0.194 1.00 0.00 H new ATOM 400 N SER A 28 -4.211 -31.195 -2.248 1.00 0.00 N ATOM 401 CA SER A 28 -5.680 -31.173 -2.498 1.00 0.00 C ATOM 402 C SER A 28 -6.277 -32.565 -2.276 1.00 0.00 C ATOM 403 O SER A 28 -7.478 -32.752 -2.315 1.00 0.00 O ATOM 404 CB SER A 28 -5.830 -30.751 -3.960 1.00 0.00 C ATOM 405 OG SER A 28 -5.904 -31.907 -4.782 1.00 0.00 O ATOM 0 H SER A 28 -3.628 -31.070 -3.076 1.00 0.00 H new ATOM 0 HA SER A 28 -6.202 -30.494 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.728 -30.145 -4.084 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.984 -30.132 -4.260 1.00 0.00 H new ATOM 0 HG SER A 28 -6.002 -31.637 -5.719 1.00 0.00 H new ATOM 411 N GLU A 29 -5.448 -33.542 -2.045 1.00 0.00 N ATOM 412 CA GLU A 29 -5.962 -34.924 -1.821 1.00 0.00 C ATOM 413 C GLU A 29 -6.610 -35.036 -0.439 1.00 0.00 C ATOM 414 O GLU A 29 -7.438 -35.891 -0.200 1.00 0.00 O ATOM 415 CB GLU A 29 -4.732 -35.825 -1.905 1.00 0.00 C ATOM 416 CG GLU A 29 -5.153 -37.210 -2.400 1.00 0.00 C ATOM 417 CD GLU A 29 -4.469 -38.284 -1.552 1.00 0.00 C ATOM 418 OE1 GLU A 29 -3.344 -38.632 -1.867 1.00 0.00 O ATOM 419 OE2 GLU A 29 -5.084 -38.740 -0.601 1.00 0.00 O ATOM 0 H GLU A 29 -4.434 -33.445 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.723 -35.200 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.996 -35.392 -2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.258 -35.904 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.236 -37.317 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.881 -37.331 -3.449 1.00 0.00 H new ATOM 426 N CYS A 30 -6.238 -34.181 0.474 1.00 0.00 N ATOM 427 CA CYS A 30 -6.832 -34.246 1.839 1.00 0.00 C ATOM 428 C CYS A 30 -8.289 -33.778 1.805 1.00 0.00 C ATOM 429 O CYS A 30 -8.679 -32.990 0.966 1.00 0.00 O ATOM 430 CB CYS A 30 -5.984 -33.299 2.686 1.00 0.00 C ATOM 431 SG CYS A 30 -5.213 -34.223 4.039 1.00 0.00 S ATOM 0 H CYS A 30 -5.550 -33.441 0.334 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.834 -35.259 2.240 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.218 -32.830 2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.605 -32.498 3.087 1.00 0.00 H new ATOM 436 N SER A 31 -9.097 -34.256 2.710 1.00 0.00 N ATOM 437 CA SER A 31 -10.528 -33.837 2.728 1.00 0.00 C ATOM 438 C SER A 31 -10.637 -32.330 2.960 1.00 0.00 C ATOM 439 O SER A 31 -11.686 -31.739 2.796 1.00 0.00 O ATOM 440 CB SER A 31 -11.154 -34.609 3.889 1.00 0.00 C ATOM 441 OG SER A 31 -10.797 -35.979 3.793 1.00 0.00 O ATOM 0 H SER A 31 -8.829 -34.918 3.438 1.00 0.00 H new ATOM 0 HA SER A 31 -11.031 -34.047 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.812 -34.199 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.239 -34.502 3.868 1.00 0.00 H new ATOM 0 HG SER A 31 -11.197 -36.474 4.538 1.00 0.00 H new ATOM 447 N LYS A 32 -9.560 -31.706 3.338 1.00 0.00 N ATOM 448 CA LYS A 32 -9.594 -30.236 3.581 1.00 0.00 C ATOM 449 C LYS A 32 -8.213 -29.624 3.333 1.00 0.00 C ATOM 450 O LYS A 32 -7.331 -29.727 4.162 1.00 0.00 O ATOM 451 CB LYS A 32 -9.991 -30.086 5.050 1.00 0.00 C ATOM 452 CG LYS A 32 -11.264 -29.244 5.147 1.00 0.00 C ATOM 453 CD LYS A 32 -11.472 -28.796 6.595 1.00 0.00 C ATOM 454 CE LYS A 32 -12.914 -29.085 7.015 1.00 0.00 C ATOM 455 NZ LYS A 32 -13.729 -28.053 6.312 1.00 0.00 N ATOM 0 H LYS A 32 -8.654 -32.150 3.490 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.290 -29.725 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.155 -31.067 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.185 -29.612 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.188 -28.375 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.123 -29.824 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.778 -29.320 7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.260 -27.731 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.216 -30.092 6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.033 -29.014 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.456 -27.685 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.112 -27.274 6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.188 -28.479 5.482 1.00 0.00 H new ATOM 469 N PRO A 33 -8.076 -29.002 2.195 1.00 0.00 N ATOM 470 CA PRO A 33 -6.792 -28.360 1.826 1.00 0.00 C ATOM 471 C PRO A 33 -6.574 -27.091 2.655 1.00 0.00 C ATOM 472 O PRO A 33 -7.326 -26.792 3.561 1.00 0.00 O ATOM 473 CB PRO A 33 -6.969 -28.022 0.350 1.00 0.00 C ATOM 474 CG PRO A 33 -8.448 -27.916 0.152 1.00 0.00 C ATOM 475 CD PRO A 33 -9.095 -28.843 1.150 1.00 0.00 C ATOM 0 HA PRO A 33 -5.926 -28.996 2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.469 -27.087 0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.540 -28.796 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.785 -26.890 0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.722 -28.194 -0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.016 -28.419 1.551 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.355 -29.799 0.697 1.00 0.00 H new ATOM 483 N GLY A 34 -5.550 -26.344 2.349 1.00 0.00 N ATOM 484 CA GLY A 34 -5.282 -25.097 3.119 1.00 0.00 C ATOM 485 C GLY A 34 -3.772 -24.865 3.188 1.00 0.00 C ATOM 486 O GLY A 34 -2.988 -25.775 3.013 1.00 0.00 O ATOM 0 H GLY A 34 -4.887 -26.543 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.771 -24.248 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.696 -25.180 4.124 1.00 0.00 H new ATOM 490 N VAL A 35 -3.355 -23.657 3.452 1.00 0.00 N ATOM 491 CA VAL A 35 -1.892 -23.383 3.537 1.00 0.00 C ATOM 492 C VAL A 35 -1.494 -23.138 4.994 1.00 0.00 C ATOM 493 O VAL A 35 -2.086 -22.328 5.681 1.00 0.00 O ATOM 494 CB VAL A 35 -1.651 -22.131 2.683 1.00 0.00 C ATOM 495 CG1 VAL A 35 -2.766 -21.110 2.920 1.00 0.00 C ATOM 496 CG2 VAL A 35 -0.305 -21.504 3.059 1.00 0.00 C ATOM 0 H VAL A 35 -3.960 -22.852 3.612 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.295 -24.221 3.179 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.643 -22.417 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.585 -20.225 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.726 -21.549 2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.782 -20.827 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.135 -20.615 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.315 -21.227 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.494 -22.223 2.880 1.00 0.00 H new ATOM 506 N ILE A 36 -0.496 -23.831 5.475 1.00 0.00 N ATOM 507 CA ILE A 36 -0.069 -23.630 6.887 1.00 0.00 C ATOM 508 C ILE A 36 1.192 -22.769 6.928 1.00 0.00 C ATOM 509 O ILE A 36 2.139 -23.004 6.205 1.00 0.00 O ATOM 510 CB ILE A 36 0.214 -25.035 7.434 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.104 -25.687 7.854 1.00 0.00 C ATOM 512 CG2 ILE A 36 1.151 -24.941 8.649 1.00 0.00 C ATOM 513 CD1 ILE A 36 -0.820 -26.984 8.614 1.00 0.00 C ATOM 0 H ILE A 36 0.039 -24.524 4.952 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.828 -23.119 7.480 1.00 0.00 H new ATOM 0 HB ILE A 36 0.691 -25.636 6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.675 -25.003 8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.714 -25.896 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.349 -25.941 9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.090 -24.475 8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.680 -24.340 9.426 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.762 -27.445 8.911 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.268 -27.669 7.971 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.228 -26.763 9.502 1.00 0.00 H new ATOM 525 N PHE A 37 1.217 -21.781 7.773 1.00 0.00 N ATOM 526 CA PHE A 37 2.427 -20.921 7.858 1.00 0.00 C ATOM 527 C PHE A 37 3.357 -21.438 8.957 1.00 0.00 C ATOM 528 O PHE A 37 2.928 -21.745 10.052 1.00 0.00 O ATOM 529 CB PHE A 37 1.905 -19.529 8.220 1.00 0.00 C ATOM 530 CG PHE A 37 1.112 -18.959 7.068 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.183 -19.425 6.807 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.669 -17.958 6.264 1.00 0.00 C ATOM 533 CE1 PHE A 37 -0.920 -18.888 5.743 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.933 -17.423 5.199 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.362 -17.888 4.940 1.00 0.00 C ATOM 0 H PHE A 37 0.457 -21.532 8.406 1.00 0.00 H new ATOM 0 HA PHE A 37 2.994 -20.914 6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.279 -19.587 9.110 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.739 -18.870 8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.613 -20.198 7.426 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.667 -17.598 6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.919 -19.246 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.364 -16.652 4.578 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.930 -17.474 4.120 1.00 0.00 H new ATOM 545 N LEU A 38 4.628 -21.520 8.684 1.00 0.00 N ATOM 546 CA LEU A 38 5.578 -21.998 9.724 1.00 0.00 C ATOM 547 C LEU A 38 6.223 -20.783 10.385 1.00 0.00 C ATOM 548 O LEU A 38 6.812 -19.950 9.726 1.00 0.00 O ATOM 549 CB LEU A 38 6.621 -22.826 8.970 1.00 0.00 C ATOM 550 CG LEU A 38 6.302 -24.316 9.124 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.868 -25.085 7.927 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.936 -24.843 10.413 1.00 0.00 C ATOM 0 H LEU A 38 5.049 -21.277 7.787 1.00 0.00 H new ATOM 0 HA LEU A 38 5.100 -22.590 10.504 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.625 -22.552 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.618 -22.615 9.358 1.00 0.00 H new ATOM 0 HG LEU A 38 5.222 -24.453 9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.641 -26.146 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.418 -24.710 7.008 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.948 -24.947 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.709 -25.903 10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.016 -24.706 10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.535 -24.296 11.266 1.00 0.00 H new ATOM 564 N THR A 39 6.098 -20.657 11.674 1.00 0.00 N ATOM 565 CA THR A 39 6.686 -19.469 12.352 1.00 0.00 C ATOM 566 C THR A 39 8.121 -19.755 12.785 1.00 0.00 C ATOM 567 O THR A 39 8.560 -20.887 12.822 1.00 0.00 O ATOM 568 CB THR A 39 5.797 -19.213 13.573 1.00 0.00 C ATOM 569 OG1 THR A 39 6.165 -20.102 14.617 1.00 0.00 O ATOM 570 CG2 THR A 39 4.327 -19.435 13.208 1.00 0.00 C ATOM 0 H THR A 39 5.618 -21.318 12.285 1.00 0.00 H new ATOM 0 HA THR A 39 6.723 -18.604 11.690 1.00 0.00 H new ATOM 0 HB THR A 39 5.930 -18.183 13.903 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.112 -19.636 15.477 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.703 -19.251 14.083 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.043 -18.750 12.409 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.187 -20.462 12.872 1.00 0.00 H new ATOM 578 N LYS A 40 8.856 -18.728 13.106 1.00 0.00 N ATOM 579 CA LYS A 40 10.270 -18.931 13.536 1.00 0.00 C ATOM 580 C LYS A 40 10.314 -19.715 14.851 1.00 0.00 C ATOM 581 O LYS A 40 11.242 -20.453 15.113 1.00 0.00 O ATOM 582 CB LYS A 40 10.837 -17.523 13.730 1.00 0.00 C ATOM 583 CG LYS A 40 12.231 -17.614 14.354 1.00 0.00 C ATOM 584 CD LYS A 40 13.130 -18.490 13.479 1.00 0.00 C ATOM 585 CE LYS A 40 14.575 -17.998 13.581 1.00 0.00 C ATOM 586 NZ LYS A 40 15.171 -18.792 14.693 1.00 0.00 N ATOM 0 H LYS A 40 8.541 -17.758 13.090 1.00 0.00 H new ATOM 0 HA LYS A 40 10.845 -19.501 12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.889 -17.006 12.772 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.177 -16.939 14.372 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.662 -16.618 14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.164 -18.033 15.358 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.065 -19.530 13.799 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.794 -18.454 12.443 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.114 -18.158 12.647 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.615 -16.929 13.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.164 -18.512 14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.641 -18.614 15.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.125 -19.805 14.460 1.00 0.00 H new ATOM 600 N LYS A 41 9.316 -19.564 15.681 1.00 0.00 N ATOM 601 CA LYS A 41 9.307 -20.309 16.976 1.00 0.00 C ATOM 602 C LYS A 41 9.088 -21.802 16.723 1.00 0.00 C ATOM 603 O LYS A 41 9.200 -22.618 17.617 1.00 0.00 O ATOM 604 CB LYS A 41 8.141 -19.718 17.772 1.00 0.00 C ATOM 605 CG LYS A 41 8.179 -20.254 19.206 1.00 0.00 C ATOM 606 CD LYS A 41 8.003 -19.095 20.190 1.00 0.00 C ATOM 607 CE LYS A 41 8.377 -19.562 21.598 1.00 0.00 C ATOM 608 NZ LYS A 41 7.746 -18.567 22.510 1.00 0.00 N ATOM 0 H LYS A 41 8.510 -18.960 15.520 1.00 0.00 H new ATOM 0 HA LYS A 41 10.250 -20.213 17.513 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.205 -18.630 17.777 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.194 -19.980 17.299 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.389 -20.991 19.351 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.126 -20.761 19.391 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.631 -18.254 19.895 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.971 -18.743 20.174 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.006 -20.568 21.793 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.458 -19.590 21.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.957 -18.818 23.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.124 -17.620 22.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.716 -18.567 22.365 1.00 0.00 H new ATOM 622 N GLY A 42 8.781 -22.163 15.510 1.00 0.00 N ATOM 623 CA GLY A 42 8.561 -23.602 15.188 1.00 0.00 C ATOM 624 C GLY A 42 7.066 -23.933 15.264 1.00 0.00 C ATOM 625 O GLY A 42 6.677 -25.084 15.285 1.00 0.00 O ATOM 0 H GLY A 42 8.672 -21.522 14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.940 -23.822 14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.117 -24.229 15.886 1.00 0.00 H new ATOM 629 N ARG A 43 6.225 -22.936 15.305 1.00 0.00 N ATOM 630 CA ARG A 43 4.757 -23.198 15.379 1.00 0.00 C ATOM 631 C ARG A 43 4.161 -23.289 13.971 1.00 0.00 C ATOM 632 O ARG A 43 4.849 -23.125 12.983 1.00 0.00 O ATOM 633 CB ARG A 43 4.176 -21.998 16.126 1.00 0.00 C ATOM 634 CG ARG A 43 3.608 -22.461 17.470 1.00 0.00 C ATOM 635 CD ARG A 43 4.359 -21.763 18.604 1.00 0.00 C ATOM 636 NE ARG A 43 4.247 -22.688 19.765 1.00 0.00 N ATOM 637 CZ ARG A 43 3.596 -22.316 20.832 1.00 0.00 C ATOM 638 NH1 ARG A 43 2.323 -22.044 20.755 1.00 0.00 N ATOM 639 NH2 ARG A 43 4.219 -22.215 21.974 1.00 0.00 N ATOM 0 H ARG A 43 6.490 -21.951 15.291 1.00 0.00 H new ATOM 0 HA ARG A 43 4.533 -24.140 15.881 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.949 -21.246 16.285 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.393 -21.529 15.530 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.544 -22.230 17.527 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.705 -23.542 17.566 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.401 -21.587 18.338 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.920 -20.791 18.829 1.00 0.00 H new ATOM 0 HE ARG A 43 4.679 -23.611 19.726 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.838 -22.122 19.861 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.812 -21.753 21.589 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.215 -22.427 22.032 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.710 -21.924 22.809 1.00 0.00 H new ATOM 653 N GLN A 44 2.883 -23.544 13.871 1.00 0.00 N ATOM 654 CA GLN A 44 2.243 -23.639 12.527 1.00 0.00 C ATOM 655 C GLN A 44 0.795 -23.142 12.598 1.00 0.00 C ATOM 656 O GLN A 44 0.063 -23.460 13.515 1.00 0.00 O ATOM 657 CB GLN A 44 2.283 -25.124 12.164 1.00 0.00 C ATOM 658 CG GLN A 44 3.734 -25.612 12.170 1.00 0.00 C ATOM 659 CD GLN A 44 3.870 -26.823 11.243 1.00 0.00 C ATOM 660 OE1 GLN A 44 3.481 -26.769 10.093 1.00 0.00 O ATOM 661 NE2 GLN A 44 4.411 -27.920 11.698 1.00 0.00 N ATOM 0 H GLN A 44 2.255 -23.690 14.662 1.00 0.00 H new ATOM 0 HA GLN A 44 2.756 -23.028 11.784 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.692 -25.699 12.876 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.839 -25.281 11.181 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.399 -24.813 11.842 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.034 -25.881 13.183 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.738 -27.965 12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.507 -28.732 11.088 1.00 0.00 H new ATOM 670 N VAL A 45 0.379 -22.366 11.637 1.00 0.00 N ATOM 671 CA VAL A 45 -1.018 -21.847 11.643 1.00 0.00 C ATOM 672 C VAL A 45 -1.796 -22.432 10.461 1.00 0.00 C ATOM 673 O VAL A 45 -1.220 -22.810 9.462 1.00 0.00 O ATOM 674 CB VAL A 45 -0.870 -20.334 11.496 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.246 -19.704 11.285 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.233 -19.761 12.763 1.00 0.00 C ATOM 0 H VAL A 45 0.948 -22.067 10.845 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.564 -22.117 12.547 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.236 -20.112 10.638 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.140 -18.624 11.180 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.699 -20.113 10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.882 -19.924 12.142 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.126 -18.681 12.660 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.867 -19.983 13.621 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.749 -20.210 12.912 1.00 0.00 H new ATOM 686 N CYS A 46 -3.097 -22.510 10.562 1.00 0.00 N ATOM 687 CA CYS A 46 -3.893 -23.075 9.430 1.00 0.00 C ATOM 688 C CYS A 46 -4.652 -21.958 8.714 1.00 0.00 C ATOM 689 O CYS A 46 -5.314 -21.154 9.335 1.00 0.00 O ATOM 690 CB CYS A 46 -4.873 -24.054 10.079 1.00 0.00 C ATOM 691 SG CYS A 46 -4.277 -25.749 9.857 1.00 0.00 S ATOM 0 H CYS A 46 -3.640 -22.210 11.372 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.263 -23.564 8.687 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.976 -23.830 11.141 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.861 -23.944 9.633 1.00 0.00 H new ATOM 696 N ALA A 47 -4.567 -21.894 7.414 1.00 0.00 N ATOM 697 CA ALA A 47 -5.293 -20.817 6.686 1.00 0.00 C ATOM 698 C ALA A 47 -6.057 -21.390 5.492 1.00 0.00 C ATOM 699 O ALA A 47 -5.723 -22.433 4.965 1.00 0.00 O ATOM 700 CB ALA A 47 -4.207 -19.855 6.214 1.00 0.00 C ATOM 0 H ALA A 47 -4.031 -22.535 6.829 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.030 -20.324 7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.664 -19.031 5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.668 -19.463 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.512 -20.383 5.561 1.00 0.00 H new ATOM 706 N LYS A 48 -7.078 -20.706 5.060 1.00 0.00 N ATOM 707 CA LYS A 48 -7.871 -21.193 3.896 1.00 0.00 C ATOM 708 C LYS A 48 -7.033 -21.106 2.619 1.00 0.00 C ATOM 709 O LYS A 48 -5.923 -20.612 2.639 1.00 0.00 O ATOM 710 CB LYS A 48 -9.068 -20.245 3.814 1.00 0.00 C ATOM 711 CG LYS A 48 -10.336 -20.979 4.253 1.00 0.00 C ATOM 712 CD LYS A 48 -11.559 -20.115 3.938 1.00 0.00 C ATOM 713 CE LYS A 48 -11.597 -18.913 4.886 1.00 0.00 C ATOM 714 NZ LYS A 48 -11.793 -19.494 6.247 1.00 0.00 N ATOM 0 H LYS A 48 -7.400 -19.826 5.464 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.179 -22.233 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.900 -19.376 4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.184 -19.877 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.412 -21.937 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.294 -21.193 5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.519 -19.774 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.470 -20.704 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.672 -18.340 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.409 -18.233 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.507 -18.940 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.116 -20.479 6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.893 -19.469 6.768 1.00 0.00 H new ATOM 728 N PRO A 49 -7.597 -21.586 1.547 1.00 0.00 N ATOM 729 CA PRO A 49 -6.896 -21.556 0.242 1.00 0.00 C ATOM 730 C PRO A 49 -6.853 -20.123 -0.299 1.00 0.00 C ATOM 731 O PRO A 49 -5.913 -19.722 -0.956 1.00 0.00 O ATOM 732 CB PRO A 49 -7.752 -22.451 -0.647 1.00 0.00 C ATOM 733 CG PRO A 49 -9.116 -22.416 -0.032 1.00 0.00 C ATOM 734 CD PRO A 49 -8.929 -22.196 1.447 1.00 0.00 C ATOM 0 HA PRO A 49 -5.861 -21.893 0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.772 -22.085 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.359 -23.467 -0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.715 -21.616 -0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.647 -23.350 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.700 -21.542 1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.982 -23.134 2.000 1.00 0.00 H new ATOM 742 N SER A 50 -7.869 -19.351 -0.025 1.00 0.00 N ATOM 743 CA SER A 50 -7.895 -17.943 -0.516 1.00 0.00 C ATOM 744 C SER A 50 -8.341 -17.002 0.608 1.00 0.00 C ATOM 745 O SER A 50 -9.047 -16.039 0.382 1.00 0.00 O ATOM 746 CB SER A 50 -8.917 -17.941 -1.655 1.00 0.00 C ATOM 747 OG SER A 50 -9.172 -19.276 -2.068 1.00 0.00 O ATOM 0 H SER A 50 -8.684 -19.635 0.519 1.00 0.00 H new ATOM 0 HA SER A 50 -6.915 -17.601 -0.848 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.842 -17.468 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.541 -17.356 -2.494 1.00 0.00 H new ATOM 0 HG SER A 50 -9.828 -19.274 -2.796 1.00 0.00 H new ATOM 753 N GLY A 51 -7.936 -17.276 1.819 1.00 0.00 N ATOM 754 CA GLY A 51 -8.337 -16.402 2.958 1.00 0.00 C ATOM 755 C GLY A 51 -7.729 -15.010 2.779 1.00 0.00 C ATOM 756 O GLY A 51 -6.621 -14.871 2.300 1.00 0.00 O ATOM 0 H GLY A 51 -7.344 -18.068 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.423 -16.331 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.001 -16.838 3.899 1.00 0.00 H new ATOM 760 N PRO A 52 -8.479 -14.020 3.180 1.00 0.00 N ATOM 761 CA PRO A 52 -8.015 -12.615 3.069 1.00 0.00 C ATOM 762 C PRO A 52 -6.854 -12.372 4.034 1.00 0.00 C ATOM 763 O PRO A 52 -6.991 -12.511 5.234 1.00 0.00 O ATOM 764 CB PRO A 52 -9.244 -11.799 3.463 1.00 0.00 C ATOM 765 CG PRO A 52 -10.054 -12.724 4.314 1.00 0.00 C ATOM 766 CD PRO A 52 -9.816 -14.111 3.779 1.00 0.00 C ATOM 0 HA PRO A 52 -7.646 -12.354 2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.964 -10.900 4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.803 -11.476 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.753 -12.654 5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.112 -12.467 4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.851 -14.859 4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.568 -14.392 3.042 1.00 0.00 H new ATOM 774 N GLY A 53 -5.710 -12.017 3.520 1.00 0.00 N ATOM 775 CA GLY A 53 -4.539 -11.774 4.405 1.00 0.00 C ATOM 776 C GLY A 53 -3.569 -12.953 4.295 1.00 0.00 C ATOM 777 O GLY A 53 -2.372 -12.798 4.439 1.00 0.00 O ATOM 0 H GLY A 53 -5.536 -11.885 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.039 -10.849 4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.867 -11.653 5.437 1.00 0.00 H new ATOM 781 N VAL A 54 -4.072 -14.131 4.033 1.00 0.00 N ATOM 782 CA VAL A 54 -3.167 -15.310 3.908 1.00 0.00 C ATOM 783 C VAL A 54 -2.194 -15.087 2.755 1.00 0.00 C ATOM 784 O VAL A 54 -1.013 -15.346 2.865 1.00 0.00 O ATOM 785 CB VAL A 54 -4.085 -16.497 3.615 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.243 -17.719 3.236 1.00 0.00 C ATOM 787 CG2 VAL A 54 -4.918 -16.820 4.856 1.00 0.00 C ATOM 0 H VAL A 54 -5.064 -14.326 3.901 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.574 -15.477 4.807 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.748 -16.242 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.900 -18.563 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.651 -17.492 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.577 -17.972 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.572 -17.666 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.255 -17.071 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.522 -15.953 5.125 1.00 0.00 H new ATOM 797 N GLN A 55 -2.680 -14.598 1.651 1.00 0.00 N ATOM 798 CA GLN A 55 -1.775 -14.349 0.498 1.00 0.00 C ATOM 799 C GLN A 55 -0.811 -13.225 0.861 1.00 0.00 C ATOM 800 O GLN A 55 0.299 -13.165 0.376 1.00 0.00 O ATOM 801 CB GLN A 55 -2.694 -13.934 -0.651 1.00 0.00 C ATOM 802 CG GLN A 55 -1.900 -13.921 -1.959 1.00 0.00 C ATOM 803 CD GLN A 55 -2.297 -15.130 -2.809 1.00 0.00 C ATOM 804 OE1 GLN A 55 -3.172 -15.035 -3.648 1.00 0.00 O ATOM 805 NE2 GLN A 55 -1.690 -16.270 -2.627 1.00 0.00 N ATOM 0 H GLN A 55 -3.660 -14.361 1.497 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.177 -15.219 0.227 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.532 -14.626 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.113 -12.947 -0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.095 -12.999 -2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.831 -13.947 -1.748 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.956 -16.350 -1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.949 -17.081 -3.188 1.00 0.00 H new ATOM 814 N ASP A 56 -1.223 -12.347 1.732 1.00 0.00 N ATOM 815 CA ASP A 56 -0.320 -11.242 2.150 1.00 0.00 C ATOM 816 C ASP A 56 0.838 -11.824 2.959 1.00 0.00 C ATOM 817 O ASP A 56 1.967 -11.389 2.849 1.00 0.00 O ATOM 818 CB ASP A 56 -1.181 -10.321 3.013 1.00 0.00 C ATOM 819 CG ASP A 56 -0.435 -9.007 3.255 1.00 0.00 C ATOM 820 OD1 ASP A 56 -0.310 -8.239 2.315 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.003 -8.791 4.375 1.00 0.00 O ATOM 0 H ASP A 56 -2.144 -12.347 2.171 1.00 0.00 H new ATOM 0 HA ASP A 56 0.108 -10.701 1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.133 -10.126 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.409 -10.803 3.964 1.00 0.00 H new ATOM 826 N CYS A 57 0.569 -12.820 3.764 1.00 0.00 N ATOM 827 CA CYS A 57 1.663 -13.437 4.562 1.00 0.00 C ATOM 828 C CYS A 57 2.672 -14.091 3.620 1.00 0.00 C ATOM 829 O CYS A 57 3.868 -13.972 3.796 1.00 0.00 O ATOM 830 CB CYS A 57 0.987 -14.506 5.423 1.00 0.00 C ATOM 831 SG CYS A 57 0.008 -13.749 6.749 1.00 0.00 S ATOM 0 H CYS A 57 -0.356 -13.228 3.901 1.00 0.00 H new ATOM 0 HA CYS A 57 2.194 -12.704 5.169 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.343 -15.127 4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.743 -15.163 5.854 1.00 0.00 H new ATOM 836 N MET A 58 2.198 -14.786 2.622 1.00 0.00 N ATOM 837 CA MET A 58 3.133 -15.453 1.672 1.00 0.00 C ATOM 838 C MET A 58 3.837 -14.417 0.796 1.00 0.00 C ATOM 839 O MET A 58 4.952 -14.621 0.358 1.00 0.00 O ATOM 840 CB MET A 58 2.266 -16.374 0.816 1.00 0.00 C ATOM 841 CG MET A 58 1.209 -17.058 1.690 1.00 0.00 C ATOM 842 SD MET A 58 0.846 -18.708 1.039 1.00 0.00 S ATOM 843 CE MET A 58 -0.081 -18.186 -0.423 1.00 0.00 C ATOM 0 H MET A 58 1.207 -14.921 2.424 1.00 0.00 H new ATOM 0 HA MET A 58 3.911 -16.006 2.198 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.781 -15.800 0.026 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.889 -17.125 0.329 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.567 -17.133 2.717 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.299 -16.458 1.712 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.496 -19.061 -0.922 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.891 -17.521 -0.122 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.585 -17.660 -1.107 1.00 0.00 H new ATOM 853 N LYS A 59 3.206 -13.301 0.541 1.00 0.00 N ATOM 854 CA LYS A 59 3.864 -12.265 -0.301 1.00 0.00 C ATOM 855 C LYS A 59 5.084 -11.734 0.441 1.00 0.00 C ATOM 856 O LYS A 59 6.187 -11.734 -0.068 1.00 0.00 O ATOM 857 CB LYS A 59 2.817 -11.165 -0.475 1.00 0.00 C ATOM 858 CG LYS A 59 2.324 -11.154 -1.923 1.00 0.00 C ATOM 859 CD LYS A 59 3.152 -10.155 -2.731 1.00 0.00 C ATOM 860 CE LYS A 59 2.388 -9.764 -3.997 1.00 0.00 C ATOM 861 NZ LYS A 59 3.191 -8.666 -4.605 1.00 0.00 N ATOM 0 H LYS A 59 2.272 -13.065 0.877 1.00 0.00 H new ATOM 0 HA LYS A 59 4.199 -12.647 -1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.981 -11.333 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.246 -10.196 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.411 -12.150 -2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.269 -10.882 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.360 -9.269 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.114 -10.594 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.294 -10.609 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.377 -9.431 -3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.731 -8.343 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.258 -7.873 -3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.146 -9.015 -4.824 1.00 0.00 H new ATOM 875 N LYS A 60 4.892 -11.301 1.653 1.00 0.00 N ATOM 876 CA LYS A 60 6.038 -10.790 2.447 1.00 0.00 C ATOM 877 C LYS A 60 6.960 -11.953 2.823 1.00 0.00 C ATOM 878 O LYS A 60 8.121 -11.765 3.122 1.00 0.00 O ATOM 879 CB LYS A 60 5.407 -10.172 3.696 1.00 0.00 C ATOM 880 CG LYS A 60 6.476 -10.001 4.778 1.00 0.00 C ATOM 881 CD LYS A 60 7.562 -9.046 4.276 1.00 0.00 C ATOM 882 CE LYS A 60 8.031 -8.161 5.433 1.00 0.00 C ATOM 883 NZ LYS A 60 8.666 -6.980 4.780 1.00 0.00 N ATOM 0 H LYS A 60 3.990 -11.279 2.128 1.00 0.00 H new ATOM 0 HA LYS A 60 6.641 -10.065 1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.964 -9.207 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.602 -10.809 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.026 -9.610 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.914 -10.967 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.402 -9.612 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.174 -8.429 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.195 -7.861 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.740 -8.688 6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.014 -6.325 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.462 -7.296 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.965 -6.494 4.184 1.00 0.00 H new ATOM 897 N LEU A 61 6.449 -13.161 2.808 1.00 0.00 N ATOM 898 CA LEU A 61 7.304 -14.329 3.162 1.00 0.00 C ATOM 899 C LEU A 61 8.244 -14.668 2.002 1.00 0.00 C ATOM 900 O LEU A 61 9.032 -15.589 2.078 1.00 0.00 O ATOM 901 CB LEU A 61 6.323 -15.474 3.421 1.00 0.00 C ATOM 902 CG LEU A 61 6.190 -15.700 4.930 1.00 0.00 C ATOM 903 CD1 LEU A 61 5.997 -14.357 5.638 1.00 0.00 C ATOM 904 CD2 LEU A 61 4.982 -16.597 5.207 1.00 0.00 C ATOM 0 H LEU A 61 5.483 -13.384 2.567 1.00 0.00 H new ATOM 0 HA LEU A 61 7.935 -14.134 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.350 -15.238 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.674 -16.385 2.935 1.00 0.00 H new ATOM 0 HG LEU A 61 7.095 -16.179 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.903 -14.522 6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.857 -13.716 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.094 -13.875 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.887 -16.758 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.079 -16.117 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.119 -17.556 4.707 1.00 0.00 H new ATOM 916 N LYS A 62 8.166 -13.928 0.932 1.00 0.00 N ATOM 917 CA LYS A 62 9.055 -14.205 -0.232 1.00 0.00 C ATOM 918 C LYS A 62 10.117 -13.108 -0.353 1.00 0.00 C ATOM 919 O LYS A 62 9.810 -11.936 -0.271 1.00 0.00 O ATOM 920 CB LYS A 62 8.130 -14.190 -1.450 1.00 0.00 C ATOM 921 CG LYS A 62 7.331 -15.493 -1.501 1.00 0.00 C ATOM 922 CD LYS A 62 7.379 -16.065 -2.921 1.00 0.00 C ATOM 923 CE LYS A 62 8.782 -16.602 -3.208 1.00 0.00 C ATOM 924 NZ LYS A 62 8.582 -17.671 -4.227 1.00 0.00 N ATOM 0 H LYS A 62 7.526 -13.143 0.812 1.00 0.00 H new ATOM 0 HA LYS A 62 9.583 -15.153 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.453 -13.338 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.715 -14.074 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.743 -16.213 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.298 -15.311 -1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.644 -16.863 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.119 -15.292 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.437 -15.816 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.246 -16.999 -2.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.501 -18.089 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.960 -18.409 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.145 -17.262 -5.078 1.00 0.00 H new ATOM 938 N PRO A 63 11.337 -13.529 -0.544 1.00 0.00 N ATOM 939 CA PRO A 63 12.460 -12.570 -0.678 1.00 0.00 C ATOM 940 C PRO A 63 12.391 -11.860 -2.034 1.00 0.00 C ATOM 941 O PRO A 63 12.905 -12.340 -3.024 1.00 0.00 O ATOM 942 CB PRO A 63 13.699 -13.455 -0.586 1.00 0.00 C ATOM 943 CG PRO A 63 13.240 -14.811 -1.021 1.00 0.00 C ATOM 944 CD PRO A 63 11.783 -14.923 -0.652 1.00 0.00 C ATOM 0 HA PRO A 63 12.450 -11.784 0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.498 -13.084 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 63 14.092 -13.479 0.430 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.377 -14.938 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.823 -15.591 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.219 -15.465 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.649 -15.459 0.288 1.00 0.00 H new ATOM 952 N TYR A 64 11.754 -10.721 -2.084 1.00 0.00 N ATOM 953 CA TYR A 64 11.648 -9.982 -3.375 1.00 0.00 C ATOM 954 C TYR A 64 11.873 -8.486 -3.149 1.00 0.00 C ATOM 955 O TYR A 64 11.659 -7.677 -4.030 1.00 0.00 O ATOM 956 CB TYR A 64 10.221 -10.243 -3.860 1.00 0.00 C ATOM 957 CG TYR A 64 10.252 -10.683 -5.304 1.00 0.00 C ATOM 958 CD1 TYR A 64 10.675 -9.793 -6.298 1.00 0.00 C ATOM 959 CD2 TYR A 64 9.855 -11.981 -5.649 1.00 0.00 C ATOM 960 CE1 TYR A 64 10.702 -10.201 -7.637 1.00 0.00 C ATOM 961 CE2 TYR A 64 9.882 -12.388 -6.988 1.00 0.00 C ATOM 962 CZ TYR A 64 10.306 -11.498 -7.982 1.00 0.00 C ATOM 963 OH TYR A 64 10.333 -11.899 -9.302 1.00 0.00 O ATOM 0 H TYR A 64 11.303 -10.271 -1.288 1.00 0.00 H new ATOM 0 HA TYR A 64 12.393 -10.307 -4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 64 9.751 -11.011 -3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.620 -9.340 -3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 64 10.980 -8.792 -6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.528 -12.668 -4.882 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.029 -9.514 -8.404 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.576 -13.389 -7.254 1.00 0.00 H new ATOM 0 HH TYR A 64 10.028 -12.828 -9.368 1.00 0.00 H new ATOM 973 N SER A 65 12.301 -8.109 -1.974 1.00 0.00 N ATOM 974 CA SER A 65 12.536 -6.662 -1.698 1.00 0.00 C ATOM 975 C SER A 65 13.300 -6.488 -0.383 1.00 0.00 C ATOM 976 O SER A 65 12.752 -6.060 0.613 1.00 0.00 O ATOM 977 CB SER A 65 11.140 -6.047 -1.593 1.00 0.00 C ATOM 978 OG SER A 65 10.904 -5.213 -2.716 1.00 0.00 O ATOM 0 H SER A 65 12.498 -8.738 -1.196 1.00 0.00 H new ATOM 0 HA SER A 65 13.134 -6.187 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.387 -6.834 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.054 -5.469 -0.673 1.00 0.00 H new ATOM 0 HG SER A 65 11.068 -5.719 -3.539 1.00 0.00 H new ATOM 984 N ILE A 66 14.563 -6.814 -0.373 1.00 0.00 N ATOM 985 CA ILE A 66 15.361 -6.665 0.879 1.00 0.00 C ATOM 986 C ILE A 66 16.771 -6.168 0.551 1.00 0.00 C ATOM 987 O ILE A 66 16.882 -5.083 0.005 1.00 0.00 O ATOM 988 CB ILE A 66 15.414 -8.066 1.486 1.00 0.00 C ATOM 989 CG1 ILE A 66 16.247 -8.033 2.769 1.00 0.00 C ATOM 990 CG2 ILE A 66 16.058 -9.030 0.488 1.00 0.00 C ATOM 991 CD1 ILE A 66 15.324 -8.184 3.980 1.00 0.00 C ATOM 992 OXT ILE A 66 17.713 -6.881 0.852 1.00 0.00 O ATOM 0 H ILE A 66 15.077 -7.177 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 66 14.921 -5.941 1.565 1.00 0.00 H new ATOM 0 HB ILE A 66 14.403 -8.401 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 66 16.984 -8.836 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 66 16.799 -7.095 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 66 16.096 -10.030 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 66 15.468 -9.053 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 66 17.070 -8.695 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.917 -8.161 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 66 14.604 -7.366 3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 66 14.793 -9.134 3.916 1.00 0.00 H new TER 1004 ILE A 66