USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= -0.753 K(o=-0.76,f=-3.6!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc=-0.00842 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: C 21 THR OG1 : rot 180:sc=-0.00262 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.423 K(o=-0.42,f=-2.5!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -128:sc= -0.0335 (180deg=-0.226) USER MOD Single : A 1 MET N :NH3+ 130:sc= 0.0543 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.856 X(o=-0.86,f=-0.87) USER MOD Single : A 29 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.83) USER MOD Single : A 35 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -0.0547 (180deg=-0.383) USER MOD Single : A 43 HIS : no HE2:sc= -0.956 X(o=-0.96,f=-1.2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 178:sc= -0.0395 (180deg=-0.0471) USER MOD Single : C 1 MET N :NH3+ 136:sc= 0.0475 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 45:sc= 0.0085 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : C 29 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.94) USER MOD Single : C 35 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.4!) USER MOD Single : C 38 LYS NZ :NH3+ -170:sc= -0.0056 (180deg=-0.107) USER MOD Single : C 43 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-3.2) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.362 9.965 -3.175 1.00 0.00 N ATOM 2 CA MET A 1 -7.359 8.891 -3.317 1.00 0.00 C ATOM 3 C MET A 1 -6.147 9.380 -4.096 1.00 0.00 C ATOM 4 O MET A 1 -6.269 10.279 -4.926 1.00 0.00 O ATOM 5 CB MET A 1 -7.957 7.699 -4.067 1.00 0.00 C ATOM 6 CG MET A 1 -7.065 6.457 -4.045 1.00 0.00 C ATOM 7 SD MET A 1 -7.466 5.280 -2.743 1.00 0.00 S ATOM 8 CE MET A 1 -8.893 4.604 -3.614 1.00 0.00 C ATOM 0 H1 MET A 1 -9.296 9.608 -3.461 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.399 10.277 -2.183 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.099 10.768 -3.781 1.00 0.00 H new ATOM 0 HA MET A 1 -7.056 8.592 -2.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.923 7.451 -3.628 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.142 7.986 -5.102 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.139 5.954 -5.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.028 6.771 -3.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.762 4.622 -2.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.096 5.204 -4.501 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.684 3.576 -3.911 1.00 0.00 H new ATOM 20 N LEU A 2 -4.988 8.779 -3.834 1.00 0.00 N ATOM 21 CA LEU A 2 -3.786 8.967 -4.621 1.00 0.00 C ATOM 22 C LEU A 2 -3.309 7.578 -5.053 1.00 0.00 C ATOM 23 O LEU A 2 -2.818 6.807 -4.230 1.00 0.00 O ATOM 24 CB LEU A 2 -2.777 9.755 -3.778 1.00 0.00 C ATOM 25 CG LEU A 2 -1.497 10.184 -4.505 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.475 9.051 -4.570 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.778 10.672 -5.924 1.00 0.00 C ATOM 0 H LEU A 2 -4.863 8.136 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.943 9.552 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.271 10.647 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.498 9.148 -2.917 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.087 11.008 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.417 9.395 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.207 8.744 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.904 8.204 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.842 10.965 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.242 9.871 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.451 11.529 -5.888 1.00 0.00 H new ATOM 39 N ILE A 3 -3.466 7.268 -6.344 1.00 0.00 N ATOM 40 CA ILE A 3 -3.159 5.955 -6.902 1.00 0.00 C ATOM 41 C ILE A 3 -1.823 6.000 -7.640 1.00 0.00 C ATOM 42 O ILE A 3 -1.496 6.998 -8.280 1.00 0.00 O ATOM 43 CB ILE A 3 -4.254 5.523 -7.892 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.632 5.372 -7.235 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.891 4.170 -8.506 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.370 6.704 -7.236 1.00 0.00 C ATOM 0 H ILE A 3 -3.814 7.932 -7.036 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.107 5.240 -6.081 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.311 6.310 -8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.217 4.624 -7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.517 5.014 -6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.669 3.868 -9.207 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.941 4.253 -9.033 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.804 3.424 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.346 6.580 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.791 7.441 -6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.502 7.046 -8.263 1.00 0.00 H new ATOM 58 N LEU A 4 -1.056 4.911 -7.548 1.00 0.00 N ATOM 59 CA LEU A 4 0.188 4.752 -8.286 1.00 0.00 C ATOM 60 C LEU A 4 0.605 3.281 -8.331 1.00 0.00 C ATOM 61 O LEU A 4 0.017 2.450 -7.637 1.00 0.00 O ATOM 62 CB LEU A 4 1.269 5.668 -7.694 1.00 0.00 C ATOM 63 CG LEU A 4 1.313 5.739 -6.163 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.879 4.464 -5.548 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.215 6.914 -5.789 1.00 0.00 C ATOM 0 H LEU A 4 -1.286 4.114 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 4 0.042 5.059 -9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.242 5.330 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.118 6.675 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 4 0.299 5.862 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.892 4.558 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.256 3.616 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.895 4.305 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.272 6.998 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.214 6.749 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.804 7.835 -6.203 1.00 0.00 H new ATOM 77 N THR A 5 1.612 2.949 -9.145 1.00 0.00 N ATOM 78 CA THR A 5 2.118 1.584 -9.232 1.00 0.00 C ATOM 79 C THR A 5 3.458 1.444 -8.524 1.00 0.00 C ATOM 80 O THR A 5 4.183 2.421 -8.319 1.00 0.00 O ATOM 81 CB THR A 5 2.301 1.114 -10.679 1.00 0.00 C ATOM 82 OG1 THR A 5 3.019 2.073 -11.422 1.00 0.00 O ATOM 83 CG2 THR A 5 0.970 0.818 -11.362 1.00 0.00 C ATOM 0 H THR A 5 2.091 3.613 -9.753 1.00 0.00 H new ATOM 0 HA THR A 5 1.364 0.964 -8.748 1.00 0.00 H new ATOM 0 HB THR A 5 2.868 0.184 -10.643 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.129 1.758 -12.343 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.151 0.488 -12.385 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.447 0.033 -10.815 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.359 1.720 -11.375 1.00 0.00 H new ATOM 91 N ARG A 6 3.761 0.202 -8.156 1.00 0.00 N ATOM 92 CA ARG A 6 5.011 -0.198 -7.532 1.00 0.00 C ATOM 93 C ARG A 6 5.304 -1.630 -7.980 1.00 0.00 C ATOM 94 O ARG A 6 4.403 -2.301 -8.485 1.00 0.00 O ATOM 95 CB ARG A 6 4.801 -0.136 -6.013 1.00 0.00 C ATOM 96 CG ARG A 6 6.078 -0.220 -5.175 1.00 0.00 C ATOM 97 CD ARG A 6 6.893 1.076 -5.174 1.00 0.00 C ATOM 98 NE ARG A 6 7.649 1.272 -6.411 1.00 0.00 N ATOM 99 CZ ARG A 6 8.437 2.324 -6.641 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.608 3.262 -5.715 1.00 0.00 N ATOM 101 NH2 ARG A 6 9.066 2.443 -7.805 1.00 0.00 N ATOM 0 H ARG A 6 3.118 -0.578 -8.290 1.00 0.00 H new ATOM 0 HA ARG A 6 5.846 0.446 -7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.287 0.794 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.139 -0.951 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.814 -0.475 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.700 -1.031 -5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.222 1.922 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.583 1.065 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 6 7.569 0.563 -7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.134 3.183 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.213 4.061 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.947 1.730 -8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.668 3.248 -7.979 1.00 0.00 H new ATOM 115 N LYS A 7 6.540 -2.110 -7.814 1.00 0.00 N ATOM 116 CA LYS A 7 6.848 -3.509 -8.077 1.00 0.00 C ATOM 117 C LYS A 7 7.385 -4.167 -6.821 1.00 0.00 C ATOM 118 O LYS A 7 7.896 -3.504 -5.918 1.00 0.00 O ATOM 119 CB LYS A 7 7.864 -3.685 -9.206 1.00 0.00 C ATOM 120 CG LYS A 7 7.241 -3.543 -10.588 1.00 0.00 C ATOM 121 CD LYS A 7 8.177 -4.156 -11.631 1.00 0.00 C ATOM 122 CE LYS A 7 7.439 -4.285 -12.956 1.00 0.00 C ATOM 123 NZ LYS A 7 8.332 -4.785 -14.018 1.00 0.00 N ATOM 0 H LYS A 7 7.334 -1.552 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 7 5.918 -3.983 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.658 -2.947 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.328 -4.668 -9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.272 -4.041 -10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.065 -2.491 -10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.062 -3.532 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.521 -5.135 -11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.593 -4.963 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.033 -3.316 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.802 -4.863 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.126 -4.125 -14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.699 -5.721 -13.751 1.00 0.00 H new ATOM 137 N VAL A 8 7.267 -5.495 -6.779 1.00 0.00 N ATOM 138 CA VAL A 8 7.723 -6.280 -5.646 1.00 0.00 C ATOM 139 C VAL A 8 9.183 -5.959 -5.334 1.00 0.00 C ATOM 140 O VAL A 8 10.047 -6.017 -6.211 1.00 0.00 O ATOM 141 CB VAL A 8 7.501 -7.767 -5.919 1.00 0.00 C ATOM 142 CG1 VAL A 8 6.004 -8.023 -6.071 1.00 0.00 C ATOM 143 CG2 VAL A 8 8.188 -8.257 -7.193 1.00 0.00 C ATOM 0 H VAL A 8 6.854 -6.049 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 8 7.141 -6.020 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 8 7.932 -8.308 -5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.834 -9.082 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.491 -7.736 -5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.617 -7.434 -6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.990 -9.320 -7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.802 -7.705 -8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.263 -8.095 -7.112 1.00 0.00 H new ATOM 153 N GLY A 9 9.455 -5.613 -4.074 1.00 0.00 N ATOM 154 CA GLY A 9 10.806 -5.299 -3.629 1.00 0.00 C ATOM 155 C GLY A 9 11.077 -3.794 -3.569 1.00 0.00 C ATOM 156 O GLY A 9 12.223 -3.391 -3.363 1.00 0.00 O ATOM 0 H GLY A 9 8.748 -5.544 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.968 -5.732 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.523 -5.766 -4.304 1.00 0.00 H new ATOM 160 N GLU A 10 10.046 -2.959 -3.745 1.00 0.00 N ATOM 161 CA GLU A 10 10.189 -1.507 -3.703 1.00 0.00 C ATOM 162 C GLU A 10 9.345 -0.926 -2.567 1.00 0.00 C ATOM 163 O GLU A 10 8.731 -1.675 -1.809 1.00 0.00 O ATOM 164 CB GLU A 10 9.786 -0.906 -5.057 1.00 0.00 C ATOM 165 CG GLU A 10 10.638 -1.453 -6.206 1.00 0.00 C ATOM 166 CD GLU A 10 10.253 -0.810 -7.537 1.00 0.00 C ATOM 167 OE1 GLU A 10 9.033 -0.688 -7.793 1.00 0.00 O ATOM 168 OE2 GLU A 10 11.181 -0.443 -8.293 1.00 0.00 O ATOM 0 H GLU A 10 9.092 -3.275 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 10 11.231 -1.252 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.735 -1.122 -5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.886 0.179 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.692 -1.266 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.513 -2.534 -6.272 1.00 0.00 H new ATOM 175 N SER A 11 9.310 0.405 -2.430 1.00 0.00 N ATOM 176 CA SER A 11 8.660 1.044 -1.290 1.00 0.00 C ATOM 177 C SER A 11 7.887 2.306 -1.671 1.00 0.00 C ATOM 178 O SER A 11 8.018 2.832 -2.777 1.00 0.00 O ATOM 179 CB SER A 11 9.717 1.399 -0.243 1.00 0.00 C ATOM 180 OG SER A 11 10.412 0.237 0.160 1.00 0.00 O ATOM 0 H SER A 11 9.725 1.056 -3.096 1.00 0.00 H new ATOM 0 HA SER A 11 7.936 0.332 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.417 2.126 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.242 1.866 0.620 1.00 0.00 H new ATOM 0 HG SER A 11 11.087 0.475 0.829 1.00 0.00 H new ATOM 186 N ILE A 12 7.081 2.776 -0.715 1.00 0.00 N ATOM 187 CA ILE A 12 6.227 3.955 -0.799 1.00 0.00 C ATOM 188 C ILE A 12 6.291 4.645 0.572 1.00 0.00 C ATOM 189 O ILE A 12 6.710 4.023 1.546 1.00 0.00 O ATOM 190 CB ILE A 12 4.792 3.504 -1.131 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.680 2.844 -2.515 1.00 0.00 C ATOM 192 CG2 ILE A 12 3.794 4.664 -1.047 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.976 3.806 -3.666 1.00 0.00 C ATOM 0 H ILE A 12 7.006 2.313 0.191 1.00 0.00 H new ATOM 0 HA ILE A 12 6.550 4.646 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 12 4.543 2.759 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.371 2.003 -2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.675 2.439 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.795 4.302 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.797 5.074 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.079 5.442 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.880 3.278 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.269 4.635 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.991 4.191 -3.566 1.00 0.00 H new ATOM 205 N ASN A 13 5.888 5.913 0.677 1.00 0.00 N ATOM 206 CA ASN A 13 5.972 6.647 1.934 1.00 0.00 C ATOM 207 C ASN A 13 4.740 7.510 2.183 1.00 0.00 C ATOM 208 O ASN A 13 4.044 7.916 1.253 1.00 0.00 O ATOM 209 CB ASN A 13 7.226 7.523 1.932 1.00 0.00 C ATOM 210 CG ASN A 13 8.494 6.683 1.957 1.00 0.00 C ATOM 211 OD1 ASN A 13 8.942 6.197 0.923 1.00 0.00 O ATOM 212 ND2 ASN A 13 9.080 6.507 3.137 1.00 0.00 N ATOM 0 H ASN A 13 5.500 6.451 -0.098 1.00 0.00 H new ATOM 0 HA ASN A 13 6.025 5.915 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.226 8.157 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.210 8.185 2.798 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.933 5.952 3.205 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.677 6.927 3.974 1.00 0.00 H new ATOM 219 N ILE A 14 4.485 7.782 3.468 1.00 0.00 N ATOM 220 CA ILE A 14 3.349 8.572 3.925 1.00 0.00 C ATOM 221 C ILE A 14 3.808 9.469 5.074 1.00 0.00 C ATOM 222 O ILE A 14 4.662 9.077 5.871 1.00 0.00 O ATOM 223 CB ILE A 14 2.216 7.642 4.388 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.766 6.749 3.222 1.00 0.00 C ATOM 225 CG2 ILE A 14 1.032 8.458 4.925 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.642 5.793 3.621 1.00 0.00 C ATOM 0 H ILE A 14 5.077 7.450 4.229 1.00 0.00 H new ATOM 0 HA ILE A 14 2.971 9.189 3.110 1.00 0.00 H new ATOM 0 HB ILE A 14 2.588 7.011 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.430 7.376 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.617 6.173 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.240 7.782 5.248 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.360 9.062 5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.653 9.111 4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.360 5.184 2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.985 5.145 4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.221 6.367 3.958 1.00 0.00 H new ATOM 238 N GLY A 15 3.240 10.675 5.160 1.00 0.00 N ATOM 239 CA GLY A 15 3.626 11.646 6.169 1.00 0.00 C ATOM 240 C GLY A 15 5.136 11.857 6.141 1.00 0.00 C ATOM 241 O GLY A 15 5.745 11.920 5.073 1.00 0.00 O ATOM 0 H GLY A 15 2.504 10.998 4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.115 12.592 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.317 11.300 7.155 1.00 0.00 H new ATOM 245 N ASP A 16 5.738 11.962 7.322 1.00 0.00 N ATOM 246 CA ASP A 16 7.178 12.084 7.477 1.00 0.00 C ATOM 247 C ASP A 16 7.674 11.116 8.553 1.00 0.00 C ATOM 248 O ASP A 16 8.789 11.261 9.054 1.00 0.00 O ATOM 249 CB ASP A 16 7.550 13.540 7.773 1.00 0.00 C ATOM 250 CG ASP A 16 7.019 14.025 9.121 1.00 0.00 C ATOM 251 OD1 ASP A 16 5.780 14.078 9.276 1.00 0.00 O ATOM 252 OD2 ASP A 16 7.862 14.347 9.989 1.00 0.00 O ATOM 0 H ASP A 16 5.231 11.964 8.207 1.00 0.00 H new ATOM 0 HA ASP A 16 7.677 11.809 6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.635 13.643 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.157 14.179 6.982 1.00 0.00 H new ATOM 257 N ASP A 17 6.844 10.128 8.904 1.00 0.00 N ATOM 258 CA ASP A 17 7.163 9.118 9.905 1.00 0.00 C ATOM 259 C ASP A 17 6.627 7.740 9.509 1.00 0.00 C ATOM 260 O ASP A 17 6.674 6.822 10.328 1.00 0.00 O ATOM 261 CB ASP A 17 6.577 9.514 11.267 1.00 0.00 C ATOM 262 CG ASP A 17 7.199 10.790 11.823 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.385 10.733 12.219 1.00 0.00 O ATOM 264 OD2 ASP A 17 6.477 11.814 11.853 1.00 0.00 O ATOM 0 H ASP A 17 5.919 10.010 8.491 1.00 0.00 H new ATOM 0 HA ASP A 17 8.249 9.060 9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.500 9.652 11.169 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.731 8.700 11.975 1.00 0.00 H new ATOM 269 N ILE A 18 6.120 7.568 8.280 1.00 0.00 N ATOM 270 CA ILE A 18 5.572 6.287 7.861 1.00 0.00 C ATOM 271 C ILE A 18 6.166 5.855 6.522 1.00 0.00 C ATOM 272 O ILE A 18 6.470 6.678 5.660 1.00 0.00 O ATOM 273 CB ILE A 18 4.034 6.354 7.770 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.380 6.790 9.088 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.468 4.982 7.387 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.203 8.307 9.144 1.00 0.00 C ATOM 0 H ILE A 18 6.082 8.299 7.569 1.00 0.00 H new ATOM 0 HA ILE A 18 5.841 5.544 8.612 1.00 0.00 H new ATOM 0 HB ILE A 18 3.804 7.100 7.009 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.410 6.304 9.193 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.994 6.462 9.927 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.381 5.041 7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.870 4.680 6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.749 4.248 8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.737 8.584 10.090 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.177 8.790 9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.569 8.630 8.319 1.00 0.00 H new ATOM 288 N THR A 19 6.327 4.539 6.365 1.00 0.00 N ATOM 289 CA THR A 19 6.848 3.923 5.155 1.00 0.00 C ATOM 290 C THR A 19 6.049 2.655 4.877 1.00 0.00 C ATOM 291 O THR A 19 5.472 2.069 5.794 1.00 0.00 O ATOM 292 CB THR A 19 8.338 3.611 5.338 1.00 0.00 C ATOM 293 OG1 THR A 19 9.034 4.787 5.688 1.00 0.00 O ATOM 294 CG2 THR A 19 8.967 3.051 4.062 1.00 0.00 C ATOM 0 H THR A 19 6.093 3.864 7.093 1.00 0.00 H new ATOM 0 HA THR A 19 6.749 4.599 4.306 1.00 0.00 H new ATOM 0 HB THR A 19 8.413 2.862 6.126 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.985 4.582 5.805 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.023 2.844 4.237 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.459 2.129 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.869 3.780 3.258 1.00 0.00 H new ATOM 302 N ILE A 20 6.020 2.235 3.613 1.00 0.00 N ATOM 303 CA ILE A 20 5.265 1.080 3.154 1.00 0.00 C ATOM 304 C ILE A 20 6.147 0.306 2.183 1.00 0.00 C ATOM 305 O ILE A 20 6.935 0.907 1.454 1.00 0.00 O ATOM 306 CB ILE A 20 3.991 1.564 2.440 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.095 2.434 3.331 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.188 0.379 1.899 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.463 1.651 4.479 1.00 0.00 C ATOM 0 H ILE A 20 6.534 2.702 2.866 1.00 0.00 H new ATOM 0 HA ILE A 20 4.978 0.442 3.989 1.00 0.00 H new ATOM 0 HB ILE A 20 4.327 2.189 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.684 3.256 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.307 2.878 2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.292 0.745 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.798 -0.180 1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.902 -0.274 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.840 2.318 5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.849 0.846 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.248 1.229 5.107 1.00 0.00 H new ATOM 321 N THR A 21 6.024 -1.023 2.160 1.00 0.00 N ATOM 322 CA THR A 21 6.819 -1.856 1.272 1.00 0.00 C ATOM 323 C THR A 21 5.935 -2.922 0.634 1.00 0.00 C ATOM 324 O THR A 21 4.949 -3.355 1.225 1.00 0.00 O ATOM 325 CB THR A 21 7.958 -2.502 2.071 1.00 0.00 C ATOM 326 OG1 THR A 21 8.575 -1.549 2.900 1.00 0.00 O ATOM 327 CG2 THR A 21 9.024 -3.083 1.144 1.00 0.00 C ATOM 0 H THR A 21 5.376 -1.542 2.752 1.00 0.00 H new ATOM 0 HA THR A 21 7.247 -1.246 0.477 1.00 0.00 H new ATOM 0 HB THR A 21 7.520 -3.301 2.669 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.299 -1.975 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.818 -3.534 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.575 -3.842 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.441 -2.288 0.526 1.00 0.00 H new ATOM 335 N ILE A 22 6.290 -3.340 -0.582 1.00 0.00 N ATOM 336 CA ILE A 22 5.564 -4.354 -1.338 1.00 0.00 C ATOM 337 C ILE A 22 6.441 -5.600 -1.409 1.00 0.00 C ATOM 338 O ILE A 22 7.262 -5.764 -2.309 1.00 0.00 O ATOM 339 CB ILE A 22 5.132 -3.780 -2.698 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.576 -4.833 -3.657 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.278 -3.057 -3.399 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.516 -5.707 -2.998 1.00 0.00 C ATOM 0 H ILE A 22 7.105 -2.975 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 22 4.633 -4.650 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 22 4.334 -3.078 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.147 -4.338 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.391 -5.461 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.931 -2.667 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.624 -2.233 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.099 -3.754 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.150 -6.440 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.951 -6.224 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.687 -5.083 -2.662 1.00 0.00 H new ATOM 354 N LEU A 23 6.258 -6.488 -0.430 1.00 0.00 N ATOM 355 CA LEU A 23 7.155 -7.606 -0.200 1.00 0.00 C ATOM 356 C LEU A 23 7.058 -8.667 -1.293 1.00 0.00 C ATOM 357 O LEU A 23 8.026 -9.390 -1.525 1.00 0.00 O ATOM 358 CB LEU A 23 6.849 -8.216 1.171 1.00 0.00 C ATOM 359 CG LEU A 23 6.726 -7.149 2.264 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.576 -7.823 3.617 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.949 -6.244 2.326 1.00 0.00 C ATOM 0 H LEU A 23 5.477 -6.446 0.225 1.00 0.00 H new ATOM 0 HA LEU A 23 8.178 -7.231 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.921 -8.785 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.638 -8.919 1.439 1.00 0.00 H new ATOM 0 HG LEU A 23 5.854 -6.542 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.489 -7.064 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.682 -8.446 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.450 -8.444 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.815 -5.504 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.835 -6.843 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.074 -5.736 1.370 1.00 0.00 H new ATOM 373 N GLY A 24 5.909 -8.769 -1.968 1.00 0.00 N ATOM 374 CA GLY A 24 5.764 -9.707 -3.077 1.00 0.00 C ATOM 375 C GLY A 24 4.308 -9.953 -3.450 1.00 0.00 C ATOM 376 O GLY A 24 3.404 -9.356 -2.863 1.00 0.00 O ATOM 0 H GLY A 24 5.075 -8.218 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.298 -9.322 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.232 -10.655 -2.810 1.00 0.00 H new ATOM 380 N VAL A 25 4.082 -10.834 -4.428 1.00 0.00 N ATOM 381 CA VAL A 25 2.740 -11.218 -4.843 1.00 0.00 C ATOM 382 C VAL A 25 2.572 -12.730 -4.775 1.00 0.00 C ATOM 383 O VAL A 25 3.549 -13.482 -4.751 1.00 0.00 O ATOM 384 CB VAL A 25 2.419 -10.739 -6.262 1.00 0.00 C ATOM 385 CG1 VAL A 25 2.606 -9.231 -6.401 1.00 0.00 C ATOM 386 CG2 VAL A 25 3.259 -11.492 -7.294 1.00 0.00 C ATOM 0 H VAL A 25 4.826 -11.297 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 25 2.045 -10.737 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 25 1.368 -10.957 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.369 -8.927 -7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.942 -8.716 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.640 -8.970 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.013 -11.134 -8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.317 -11.320 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.046 -12.559 -7.228 1.00 0.00 H new ATOM 396 N SER A 26 1.310 -13.160 -4.751 1.00 0.00 N ATOM 397 CA SER A 26 0.915 -14.558 -4.735 1.00 0.00 C ATOM 398 C SER A 26 -0.450 -14.650 -5.415 1.00 0.00 C ATOM 399 O SER A 26 -1.447 -15.010 -4.792 1.00 0.00 O ATOM 400 CB SER A 26 0.851 -15.077 -3.301 1.00 0.00 C ATOM 401 OG SER A 26 2.109 -14.964 -2.668 1.00 0.00 O ATOM 0 H SER A 26 0.515 -12.521 -4.742 1.00 0.00 H new ATOM 0 HA SER A 26 1.642 -15.174 -5.265 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.105 -14.515 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.532 -16.119 -3.301 1.00 0.00 H new ATOM 0 HG SER A 26 2.045 -15.301 -1.750 1.00 0.00 H new ATOM 407 N GLY A 27 -0.489 -14.312 -6.707 1.00 0.00 N ATOM 408 CA GLY A 27 -1.742 -14.277 -7.439 1.00 0.00 C ATOM 409 C GLY A 27 -2.558 -13.079 -6.975 1.00 0.00 C ATOM 410 O GLY A 27 -2.027 -11.974 -6.867 1.00 0.00 O ATOM 0 H GLY A 27 0.332 -14.061 -7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.550 -14.209 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.300 -15.199 -7.273 1.00 0.00 H new ATOM 414 N GLN A 28 -3.848 -13.286 -6.700 1.00 0.00 N ATOM 415 CA GLN A 28 -4.699 -12.213 -6.201 1.00 0.00 C ATOM 416 C GLN A 28 -4.252 -11.756 -4.817 1.00 0.00 C ATOM 417 O GLN A 28 -4.622 -10.661 -4.407 1.00 0.00 O ATOM 418 CB GLN A 28 -6.163 -12.667 -6.160 1.00 0.00 C ATOM 419 CG GLN A 28 -6.816 -12.561 -7.545 1.00 0.00 C ATOM 420 CD GLN A 28 -5.918 -13.074 -8.666 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.776 -14.277 -8.863 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.304 -12.154 -9.408 1.00 0.00 N ATOM 0 H GLN A 28 -4.320 -14.183 -6.815 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.609 -11.368 -6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.217 -13.697 -5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.716 -12.056 -5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.748 -13.126 -7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.074 -11.520 -7.741 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.447 -11.163 -9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.691 -12.440 -10.171 1.00 0.00 H new ATOM 431 N GLN A 29 -3.467 -12.560 -4.087 1.00 0.00 N ATOM 432 CA GLN A 29 -2.974 -12.162 -2.780 1.00 0.00 C ATOM 433 C GLN A 29 -1.677 -11.379 -2.970 1.00 0.00 C ATOM 434 O GLN A 29 -0.925 -11.636 -3.910 1.00 0.00 O ATOM 435 CB GLN A 29 -2.733 -13.425 -1.953 1.00 0.00 C ATOM 436 CG GLN A 29 -2.653 -13.121 -0.458 1.00 0.00 C ATOM 437 CD GLN A 29 -4.032 -13.121 0.193 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.537 -12.073 0.586 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.645 -14.293 0.306 1.00 0.00 N ATOM 0 H GLN A 29 -3.165 -13.487 -4.387 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.693 -11.529 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.537 -14.138 -2.136 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.807 -13.900 -2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.020 -13.862 0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.180 -12.150 -0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.191 -15.141 -0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.570 -14.346 0.732 1.00 0.00 H new ATOM 448 N VAL A 30 -1.398 -10.421 -2.082 1.00 0.00 N ATOM 449 CA VAL A 30 -0.186 -9.623 -2.164 1.00 0.00 C ATOM 450 C VAL A 30 0.347 -9.421 -0.753 1.00 0.00 C ATOM 451 O VAL A 30 -0.409 -9.007 0.127 1.00 0.00 O ATOM 452 CB VAL A 30 -0.514 -8.273 -2.815 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.750 -7.431 -2.953 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.121 -8.448 -4.208 1.00 0.00 C ATOM 0 H VAL A 30 -2.003 -10.183 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 30 0.569 -10.125 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.238 -7.777 -2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.502 -6.476 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.180 -7.255 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.473 -7.959 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.339 -7.469 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.414 -8.975 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.043 -9.025 -4.133 1.00 0.00 H new ATOM 464 N ARG A 31 1.634 -9.708 -0.525 1.00 0.00 N ATOM 465 CA ARG A 31 2.225 -9.508 0.789 1.00 0.00 C ATOM 466 C ARG A 31 2.808 -8.102 0.847 1.00 0.00 C ATOM 467 O ARG A 31 3.550 -7.691 -0.045 1.00 0.00 O ATOM 468 CB ARG A 31 3.277 -10.582 1.090 1.00 0.00 C ATOM 469 CG ARG A 31 3.575 -10.575 2.597 1.00 0.00 C ATOM 470 CD ARG A 31 4.586 -11.643 3.015 1.00 0.00 C ATOM 471 NE ARG A 31 4.103 -12.992 2.693 1.00 0.00 N ATOM 472 CZ ARG A 31 4.675 -14.120 3.126 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.760 -14.088 3.893 1.00 0.00 N ATOM 474 NH2 ARG A 31 4.152 -15.295 2.788 1.00 0.00 N ATOM 0 H ARG A 31 2.274 -10.075 -1.229 1.00 0.00 H new ATOM 0 HA ARG A 31 1.461 -9.606 1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.914 -11.562 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.188 -10.387 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.954 -9.593 2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.646 -10.729 3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.536 -11.465 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.775 -11.568 4.086 1.00 0.00 H new ATOM 0 HE ARG A 31 3.277 -13.074 2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.169 -13.193 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.183 -14.959 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.319 -15.332 2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.584 -16.159 3.116 1.00 0.00 H new ATOM 488 N ILE A 32 2.459 -7.372 1.906 1.00 0.00 N ATOM 489 CA ILE A 32 2.760 -5.956 2.034 1.00 0.00 C ATOM 490 C ILE A 32 3.303 -5.696 3.435 1.00 0.00 C ATOM 491 O ILE A 32 3.015 -6.454 4.357 1.00 0.00 O ATOM 492 CB ILE A 32 1.482 -5.136 1.783 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.677 -5.713 0.606 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.831 -3.665 1.540 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.552 -4.870 0.263 1.00 0.00 C ATOM 0 H ILE A 32 1.954 -7.756 2.705 1.00 0.00 H new ATOM 0 HA ILE A 32 3.509 -5.658 1.300 1.00 0.00 H new ATOM 0 HB ILE A 32 0.856 -5.198 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.321 -5.782 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.361 -6.727 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.917 -3.098 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.344 -3.264 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.481 -3.584 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.082 -5.324 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.213 -4.822 1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.238 -3.863 -0.010 1.00 0.00 H new ATOM 507 N GLY A 33 4.087 -4.631 3.600 1.00 0.00 N ATOM 508 CA GLY A 33 4.675 -4.288 4.886 1.00 0.00 C ATOM 509 C GLY A 33 4.426 -2.820 5.201 1.00 0.00 C ATOM 510 O GLY A 33 4.203 -2.009 4.304 1.00 0.00 O ATOM 0 H GLY A 33 4.329 -3.987 2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.246 -4.914 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.746 -4.488 4.869 1.00 0.00 H new ATOM 514 N ILE A 34 4.465 -2.488 6.492 1.00 0.00 N ATOM 515 CA ILE A 34 4.214 -1.142 6.987 1.00 0.00 C ATOM 516 C ILE A 34 5.228 -0.832 8.075 1.00 0.00 C ATOM 517 O ILE A 34 5.626 -1.718 8.828 1.00 0.00 O ATOM 518 CB ILE A 34 2.788 -1.037 7.546 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.759 -1.464 6.488 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.509 0.395 8.010 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.329 -1.468 7.033 1.00 0.00 C ATOM 0 H ILE A 34 4.675 -3.159 7.231 1.00 0.00 H new ATOM 0 HA ILE A 34 4.312 -0.424 6.172 1.00 0.00 H new ATOM 0 HB ILE A 34 2.700 -1.708 8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.818 -0.788 5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.009 -2.460 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.495 0.459 8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.220 0.670 8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.613 1.078 7.167 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.359 -1.777 6.246 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.260 -2.164 7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.066 -0.466 7.372 1.00 0.00 H new ATOM 533 N ASN A 35 5.651 0.427 8.165 1.00 0.00 N ATOM 534 CA ASN A 35 6.634 0.843 9.147 1.00 0.00 C ATOM 535 C ASN A 35 6.275 2.232 9.671 1.00 0.00 C ATOM 536 O ASN A 35 6.376 3.222 8.948 1.00 0.00 O ATOM 537 CB ASN A 35 8.013 0.807 8.490 1.00 0.00 C ATOM 538 CG ASN A 35 9.147 0.935 9.496 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.969 1.455 10.594 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.332 0.461 9.125 1.00 0.00 N ATOM 0 H ASN A 35 5.321 1.179 7.560 1.00 0.00 H new ATOM 0 HA ASN A 35 6.646 0.170 10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.125 -0.128 7.940 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.085 1.615 7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.128 0.523 9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.446 0.035 8.205 1.00 0.00 H new ATOM 547 N ALA A 36 5.859 2.285 10.939 1.00 0.00 N ATOM 548 CA ALA A 36 5.450 3.511 11.600 1.00 0.00 C ATOM 549 C ALA A 36 5.691 3.380 13.106 1.00 0.00 C ATOM 550 O ALA A 36 5.781 2.259 13.614 1.00 0.00 O ATOM 551 CB ALA A 36 3.960 3.736 11.327 1.00 0.00 C ATOM 0 H ALA A 36 5.799 1.461 11.538 1.00 0.00 H new ATOM 0 HA ALA A 36 6.026 4.356 11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.635 4.654 11.817 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.796 3.820 10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.388 2.894 11.717 1.00 0.00 H new ATOM 557 N PRO A 37 5.795 4.504 13.826 1.00 0.00 N ATOM 558 CA PRO A 37 5.921 4.513 15.272 1.00 0.00 C ATOM 559 C PRO A 37 4.650 3.973 15.920 1.00 0.00 C ATOM 560 O PRO A 37 3.565 4.112 15.365 1.00 0.00 O ATOM 561 CB PRO A 37 6.142 5.977 15.648 1.00 0.00 C ATOM 562 CG PRO A 37 5.576 6.768 14.469 1.00 0.00 C ATOM 563 CD PRO A 37 5.802 5.849 13.279 1.00 0.00 C ATOM 0 HA PRO A 37 6.740 3.881 15.616 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.630 6.229 16.577 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.200 6.192 15.798 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.518 6.992 14.607 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.089 7.721 14.342 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.018 5.974 12.532 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.750 6.068 12.787 1.00 0.00 H new ATOM 571 N LYS A 38 4.777 3.356 17.103 1.00 0.00 N ATOM 572 CA LYS A 38 3.612 2.880 17.847 1.00 0.00 C ATOM 573 C LYS A 38 2.730 4.057 18.278 1.00 0.00 C ATOM 574 O LYS A 38 1.655 3.848 18.831 1.00 0.00 O ATOM 575 CB LYS A 38 4.055 2.081 19.073 1.00 0.00 C ATOM 576 CG LYS A 38 4.676 0.723 18.724 1.00 0.00 C ATOM 577 CD LYS A 38 3.704 -0.173 17.958 1.00 0.00 C ATOM 578 CE LYS A 38 4.009 -1.649 18.216 1.00 0.00 C ATOM 579 NZ LYS A 38 3.687 -2.035 19.606 1.00 0.00 N ATOM 0 H LYS A 38 5.671 3.177 17.560 1.00 0.00 H new ATOM 0 HA LYS A 38 3.030 2.230 17.193 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.779 2.668 19.638 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.195 1.922 19.724 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.574 0.878 18.126 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.987 0.221 19.640 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.681 0.050 18.261 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.773 0.036 16.891 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.436 -2.266 17.524 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.063 -1.843 18.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.494 -3.056 19.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.493 -1.810 20.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.848 -1.511 19.926 1.00 0.00 H new ATOM 593 N ASP A 39 3.175 5.292 18.024 1.00 0.00 N ATOM 594 CA ASP A 39 2.383 6.492 18.253 1.00 0.00 C ATOM 595 C ASP A 39 1.178 6.533 17.313 1.00 0.00 C ATOM 596 O ASP A 39 0.321 7.407 17.440 1.00 0.00 O ATOM 597 CB ASP A 39 3.259 7.723 18.025 1.00 0.00 C ATOM 598 CG ASP A 39 4.317 7.863 19.117 1.00 0.00 C ATOM 599 OD1 ASP A 39 3.977 8.440 20.172 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.455 7.394 18.889 1.00 0.00 O ATOM 0 H ASP A 39 4.105 5.482 17.650 1.00 0.00 H new ATOM 0 HA ASP A 39 2.016 6.483 19.279 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.745 7.650 17.052 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.635 8.617 18.004 1.00 0.00 H new ATOM 605 N VAL A 40 1.116 5.591 16.368 1.00 0.00 N ATOM 606 CA VAL A 40 0.004 5.434 15.445 1.00 0.00 C ATOM 607 C VAL A 40 -0.308 3.945 15.325 1.00 0.00 C ATOM 608 O VAL A 40 0.484 3.112 15.766 1.00 0.00 O ATOM 609 CB VAL A 40 0.332 6.059 14.079 1.00 0.00 C ATOM 610 CG1 VAL A 40 0.788 7.510 14.239 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.457 5.321 13.356 1.00 0.00 C ATOM 0 H VAL A 40 1.857 4.905 16.226 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.875 5.958 15.822 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.587 5.993 13.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.014 7.930 13.259 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.006 8.091 14.709 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.681 7.544 14.863 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.650 5.802 12.397 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.361 5.350 13.965 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.164 4.284 13.190 1.00 0.00 H new ATOM 621 N ALA A 41 -1.451 3.589 14.731 1.00 0.00 N ATOM 622 CA ALA A 41 -1.876 2.198 14.681 1.00 0.00 C ATOM 623 C ALA A 41 -2.078 1.736 13.242 1.00 0.00 C ATOM 624 O ALA A 41 -2.262 2.554 12.345 1.00 0.00 O ATOM 625 CB ALA A 41 -3.159 2.039 15.495 1.00 0.00 C ATOM 0 H ALA A 41 -2.091 4.244 14.282 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.097 1.570 15.112 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.484 0.999 15.462 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.972 2.329 16.529 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.938 2.676 15.075 1.00 0.00 H new ATOM 631 N VAL A 42 -2.047 0.416 13.027 1.00 0.00 N ATOM 632 CA VAL A 42 -2.224 -0.158 11.695 1.00 0.00 C ATOM 633 C VAL A 42 -2.976 -1.480 11.795 1.00 0.00 C ATOM 634 O VAL A 42 -2.633 -2.331 12.613 1.00 0.00 O ATOM 635 CB VAL A 42 -0.864 -0.366 11.001 1.00 0.00 C ATOM 636 CG1 VAL A 42 -0.061 0.930 10.961 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.010 -1.410 11.701 1.00 0.00 C ATOM 0 H VAL A 42 -1.900 -0.274 13.763 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.807 0.539 11.093 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.109 -0.711 9.996 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.893 0.752 10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.620 1.687 10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.118 1.279 11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.954 -1.512 11.166 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.206 -1.093 12.725 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.507 -2.370 11.711 1.00 0.00 H new ATOM 647 N HIS A 43 -4.009 -1.655 10.961 1.00 0.00 N ATOM 648 CA HIS A 43 -4.782 -2.892 10.908 1.00 0.00 C ATOM 649 C HIS A 43 -5.438 -3.005 9.537 1.00 0.00 C ATOM 650 O HIS A 43 -5.582 -2.002 8.842 1.00 0.00 O ATOM 651 CB HIS A 43 -5.898 -2.907 11.966 1.00 0.00 C ATOM 652 CG HIS A 43 -5.492 -2.428 13.336 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.943 -3.230 14.343 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.607 -1.141 13.791 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.738 -2.400 15.381 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.122 -1.147 15.076 1.00 0.00 N ATOM 0 H HIS A 43 -4.328 -0.941 10.307 1.00 0.00 H new ATOM 0 HA HIS A 43 -4.101 -3.722 11.098 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.721 -2.287 11.611 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.280 -3.924 12.053 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.742 -4.229 14.299 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -6.000 -0.293 13.249 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.321 -2.699 16.331 1.00 0.00 H new ATOM 664 N ARG A 44 -5.844 -4.211 9.134 1.00 0.00 N ATOM 665 CA ARG A 44 -6.626 -4.353 7.914 1.00 0.00 C ATOM 666 C ARG A 44 -8.003 -3.736 8.150 1.00 0.00 C ATOM 667 O ARG A 44 -8.445 -3.630 9.292 1.00 0.00 O ATOM 668 CB ARG A 44 -6.662 -5.817 7.454 1.00 0.00 C ATOM 669 CG ARG A 44 -7.207 -6.793 8.497 1.00 0.00 C ATOM 670 CD ARG A 44 -6.995 -8.218 7.970 1.00 0.00 C ATOM 671 NE ARG A 44 -7.476 -9.233 8.912 1.00 0.00 N ATOM 672 CZ ARG A 44 -8.733 -9.681 8.958 1.00 0.00 C ATOM 673 NH1 ARG A 44 -9.645 -9.228 8.108 1.00 0.00 N ATOM 674 NH2 ARG A 44 -9.094 -10.587 9.860 1.00 0.00 N ATOM 0 H ARG A 44 -5.648 -5.083 9.625 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.163 -3.814 7.088 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.273 -5.888 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.653 -6.124 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.694 -6.659 9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.266 -6.607 8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.514 -8.333 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.934 -8.378 7.776 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.807 -9.623 9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.389 -8.530 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.602 -9.578 8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.409 -10.946 10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.056 -10.924 9.888 1.00 0.00 H new ATOM 688 N GLU A 45 -8.682 -3.327 7.076 1.00 0.00 N ATOM 689 CA GLU A 45 -9.895 -2.524 7.186 1.00 0.00 C ATOM 690 C GLU A 45 -10.994 -3.200 8.010 1.00 0.00 C ATOM 691 O GLU A 45 -11.859 -2.516 8.552 1.00 0.00 O ATOM 692 CB GLU A 45 -10.388 -2.171 5.778 1.00 0.00 C ATOM 693 CG GLU A 45 -11.483 -1.105 5.829 1.00 0.00 C ATOM 694 CD GLU A 45 -12.065 -0.803 4.452 1.00 0.00 C ATOM 695 OE1 GLU A 45 -12.736 -1.706 3.901 1.00 0.00 O ATOM 696 OE2 GLU A 45 -11.834 0.325 3.965 1.00 0.00 O ATOM 0 H GLU A 45 -8.408 -3.542 6.117 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.646 -1.613 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.553 -1.811 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.771 -3.066 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.281 -1.439 6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.075 -0.189 6.257 1.00 0.00 H new ATOM 703 N GLU A 46 -10.990 -4.533 8.119 1.00 0.00 N ATOM 704 CA GLU A 46 -12.021 -5.224 8.887 1.00 0.00 C ATOM 705 C GLU A 46 -11.820 -5.012 10.390 1.00 0.00 C ATOM 706 O GLU A 46 -12.790 -4.819 11.119 1.00 0.00 O ATOM 707 CB GLU A 46 -11.995 -6.711 8.538 1.00 0.00 C ATOM 708 CG GLU A 46 -13.143 -7.452 9.229 1.00 0.00 C ATOM 709 CD GLU A 46 -13.242 -8.899 8.751 1.00 0.00 C ATOM 710 OE1 GLU A 46 -12.231 -9.626 8.889 1.00 0.00 O ATOM 711 OE2 GLU A 46 -14.328 -9.269 8.252 1.00 0.00 O ATOM 0 H GLU A 46 -10.294 -5.144 7.691 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.996 -4.812 8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.073 -6.837 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.042 -7.144 8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.992 -7.434 10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.083 -6.937 9.030 1.00 0.00 H new ATOM 718 N ILE A 47 -10.571 -5.053 10.857 1.00 0.00 N ATOM 719 CA ILE A 47 -10.268 -4.873 12.271 1.00 0.00 C ATOM 720 C ILE A 47 -10.415 -3.400 12.634 1.00 0.00 C ATOM 721 O ILE A 47 -10.775 -3.063 13.761 1.00 0.00 O ATOM 722 CB ILE A 47 -8.840 -5.358 12.555 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.799 -6.870 12.797 1.00 0.00 C ATOM 724 CG2 ILE A 47 -8.274 -4.707 13.821 1.00 0.00 C ATOM 725 CD1 ILE A 47 -9.348 -7.692 11.632 1.00 0.00 C ATOM 0 H ILE A 47 -9.752 -5.210 10.270 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.961 -5.456 12.877 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.253 -5.088 11.677 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.769 -7.171 12.989 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -9.371 -7.101 13.695 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.261 -5.071 13.996 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.254 -3.624 13.696 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.903 -4.962 14.674 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.287 -8.753 11.875 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.388 -7.420 11.453 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.761 -7.491 10.736 1.00 0.00 H new ATOM 737 N TYR A 48 -10.136 -2.513 11.679 1.00 0.00 N ATOM 738 CA TYR A 48 -10.172 -1.078 11.906 1.00 0.00 C ATOM 739 C TYR A 48 -11.557 -0.617 12.357 1.00 0.00 C ATOM 740 O TYR A 48 -11.669 0.239 13.231 1.00 0.00 O ATOM 741 CB TYR A 48 -9.777 -0.398 10.599 1.00 0.00 C ATOM 742 CG TYR A 48 -9.674 1.105 10.668 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.635 1.704 11.390 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.615 1.899 9.995 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.497 3.096 11.397 1.00 0.00 C ATOM 746 CE2 TYR A 48 -10.476 3.292 9.984 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.409 3.896 10.676 1.00 0.00 C ATOM 748 OH TYR A 48 -9.259 5.250 10.652 1.00 0.00 O ATOM 0 H TYR A 48 -9.879 -2.775 10.727 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.479 -0.811 12.704 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.817 -0.798 10.274 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.507 -0.662 9.834 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.939 1.090 11.943 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.447 1.435 9.485 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.694 3.557 11.953 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.186 3.902 9.446 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.971 5.648 10.109 1.00 0.00 H new ATOM 1601 N MET C 1 8.583 -3.371 11.316 1.00 0.00 N ATOM 1602 CA MET C 1 7.622 -3.614 10.219 1.00 0.00 C ATOM 1603 C MET C 1 6.414 -4.395 10.722 1.00 0.00 C ATOM 1604 O MET C 1 6.548 -5.220 11.620 1.00 0.00 O ATOM 1605 CB MET C 1 8.281 -4.413 9.092 1.00 0.00 C ATOM 1606 CG MET C 1 7.409 -4.538 7.847 1.00 0.00 C ATOM 1607 SD MET C 1 7.853 -3.437 6.497 1.00 0.00 S ATOM 1608 CE MET C 1 9.248 -4.449 5.959 1.00 0.00 C ATOM 0 H1 MET C 1 9.549 -3.556 10.978 1.00 0.00 H new ATOM 0 H2 MET C 1 8.509 -2.382 11.630 1.00 0.00 H new ATOM 0 H3 MET C 1 8.368 -4.004 12.113 1.00 0.00 H new ATOM 0 HA MET C 1 7.301 -2.642 9.844 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.222 -3.935 8.821 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.524 -5.411 9.458 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.458 -5.566 7.489 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.373 -4.347 8.126 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.705 -4.000 5.077 1.00 0.00 H new ATOM 0 HE2 MET C 1 9.985 -4.508 6.760 1.00 0.00 H new ATOM 0 HE3 MET C 1 8.897 -5.452 5.715 1.00 0.00 H new ATOM 1620 N LEU C 2 5.249 -4.133 10.132 1.00 0.00 N ATOM 1621 CA LEU C 2 4.029 -4.885 10.365 1.00 0.00 C ATOM 1622 C LEU C 2 3.551 -5.354 8.994 1.00 0.00 C ATOM 1623 O LEU C 2 3.075 -4.561 8.183 1.00 0.00 O ATOM 1624 CB LEU C 2 3.041 -3.999 11.132 1.00 0.00 C ATOM 1625 CG LEU C 2 1.740 -4.675 11.574 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.724 -4.732 10.435 1.00 0.00 C ATOM 1627 CD2 LEU C 2 1.994 -6.081 12.115 1.00 0.00 C ATOM 0 H LEU C 2 5.130 -3.372 9.463 1.00 0.00 H new ATOM 0 HA LEU C 2 4.161 -5.768 10.990 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.544 -3.609 12.017 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.789 -3.143 10.506 1.00 0.00 H new ATOM 0 HG LEU C 2 1.326 -4.066 12.377 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.187 -5.218 10.784 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.491 -3.720 10.104 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.142 -5.299 9.603 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.049 -6.530 12.419 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.453 -6.692 11.338 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.662 -6.025 12.974 1.00 0.00 H new ATOM 1639 N ILE C 3 3.689 -6.659 8.744 1.00 0.00 N ATOM 1640 CA ILE C 3 3.444 -7.286 7.455 1.00 0.00 C ATOM 1641 C ILE C 3 2.036 -7.870 7.416 1.00 0.00 C ATOM 1642 O ILE C 3 1.487 -8.257 8.448 1.00 0.00 O ATOM 1643 CB ILE C 3 4.496 -8.383 7.209 1.00 0.00 C ATOM 1644 CG1 ILE C 3 5.895 -7.784 7.033 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.203 -9.183 5.943 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.606 -7.612 8.368 1.00 0.00 C ATOM 0 H ILE C 3 3.984 -7.324 9.460 1.00 0.00 H new ATOM 0 HA ILE C 3 3.525 -6.538 6.666 1.00 0.00 H new ATOM 0 HB ILE C 3 4.454 -9.030 8.085 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.488 -8.429 6.385 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.817 -6.818 6.535 1.00 0.00 H new ATOM 0 HG21 ILE C 3 4.970 -9.946 5.809 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.228 -9.661 6.032 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.202 -8.514 5.082 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.595 -7.185 8.201 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.026 -6.946 9.006 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.707 -8.582 8.854 1.00 0.00 H new ATOM 1658 N LEU C 4 1.468 -7.926 6.211 1.00 0.00 N ATOM 1659 CA LEU C 4 0.134 -8.444 5.950 1.00 0.00 C ATOM 1660 C LEU C 4 0.057 -9.109 4.579 1.00 0.00 C ATOM 1661 O LEU C 4 0.995 -9.052 3.785 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.876 -7.291 5.911 1.00 0.00 C ATOM 1663 CG LEU C 4 -1.190 -6.645 7.258 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -2.278 -5.621 6.958 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.741 -7.646 8.273 1.00 0.00 C ATOM 0 H LEU C 4 1.941 -7.601 5.368 1.00 0.00 H new ATOM 0 HA LEU C 4 -0.087 -9.159 6.742 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -0.496 -6.522 5.239 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -1.806 -7.661 5.480 1.00 0.00 H new ATOM 0 HG LEU C 4 -0.284 -6.221 7.691 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -2.561 -5.111 7.879 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -1.903 -4.892 6.239 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -3.149 -6.127 6.541 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.947 -7.135 9.213 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.662 -8.084 7.889 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.007 -8.434 8.442 1.00 0.00 H new ATOM 1677 N THR C 5 -1.090 -9.740 4.315 1.00 0.00 N ATOM 1678 CA THR C 5 -1.485 -10.219 2.999 1.00 0.00 C ATOM 1679 C THR C 5 -2.886 -9.703 2.739 1.00 0.00 C ATOM 1680 O THR C 5 -3.822 -10.001 3.481 1.00 0.00 O ATOM 1681 CB THR C 5 -1.474 -11.747 2.884 1.00 0.00 C ATOM 1682 OG1 THR C 5 -1.921 -12.334 4.079 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.095 -12.283 2.521 1.00 0.00 C ATOM 0 H THR C 5 -1.786 -9.935 5.035 1.00 0.00 H new ATOM 0 HA THR C 5 -0.765 -9.854 2.266 1.00 0.00 H new ATOM 0 HB THR C 5 -2.155 -12.014 2.076 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.719 -11.862 4.397 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.134 -13.370 2.450 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.216 -11.868 1.562 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.621 -11.995 3.290 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.026 -8.920 1.670 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.302 -8.367 1.258 1.00 0.00 C ATOM 1693 C ARG C 6 -4.546 -8.743 -0.198 1.00 0.00 C ATOM 1694 O ARG C 6 -3.655 -8.579 -1.031 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.219 -6.850 1.428 1.00 0.00 C ATOM 1696 CG ARG C 6 -5.558 -6.124 1.312 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.386 -6.162 2.603 1.00 0.00 C ATOM 1698 NE ARG C 6 -7.089 -7.433 2.803 1.00 0.00 N ATOM 1699 CZ ARG C 6 -8.190 -7.560 3.549 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -8.713 -6.507 4.172 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.773 -8.747 3.675 1.00 0.00 N ATOM 0 H ARG C 6 -2.248 -8.654 1.066 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.127 -8.755 1.855 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.784 -6.630 2.403 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -3.537 -6.450 0.677 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -5.377 -5.085 1.036 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -6.137 -6.572 0.505 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -5.729 -5.980 3.453 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -7.114 -5.351 2.584 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.717 -8.266 2.347 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -8.273 -5.591 4.083 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.554 -6.616 4.739 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.380 -9.561 3.202 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.614 -8.844 4.244 1.00 0.00 H new ATOM 1715 N LYS C 7 -5.742 -9.247 -0.522 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.061 -9.550 -1.909 1.00 0.00 C ATOM 1717 C LYS C 7 -6.485 -8.288 -2.647 1.00 0.00 C ATOM 1718 O LYS C 7 -6.938 -7.321 -2.037 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.173 -10.590 -2.034 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.685 -12.013 -1.795 1.00 0.00 C ATOM 1721 CD LYS C 7 -7.682 -12.991 -2.411 1.00 0.00 C ATOM 1722 CE LYS C 7 -7.102 -14.401 -2.410 1.00 0.00 C ATOM 1723 NZ LYS C 7 -8.092 -15.373 -2.902 1.00 0.00 N ATOM 0 H LYS C 7 -6.486 -9.448 0.146 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.155 -9.960 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -7.963 -10.358 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.614 -10.525 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.699 -12.152 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.584 -12.202 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -8.616 -12.973 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -7.918 -12.687 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -6.211 -14.433 -3.037 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.791 -14.671 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.677 -16.326 -2.893 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.931 -15.355 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.369 -15.125 -3.873 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.339 -8.320 -3.970 1.00 0.00 N ATOM 1738 CA VAL C 8 -6.741 -7.221 -4.830 1.00 0.00 C ATOM 1739 C VAL C 8 -8.209 -6.868 -4.604 1.00 0.00 C ATOM 1740 O VAL C 8 -9.075 -7.741 -4.620 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.454 -7.554 -6.289 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -4.939 -7.575 -6.443 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.034 -8.892 -6.747 1.00 0.00 C ATOM 0 H VAL C 8 -5.938 -9.112 -4.472 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.153 -6.340 -4.573 1.00 0.00 H new ATOM 0 HB VAL C 8 -6.934 -6.801 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -4.681 -7.810 -7.476 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.533 -6.598 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -4.517 -8.332 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -6.787 -9.056 -7.796 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -6.612 -9.697 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.117 -8.879 -6.627 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.488 -5.581 -4.392 1.00 0.00 N ATOM 1754 CA GLY C 9 -9.849 -5.095 -4.215 1.00 0.00 C ATOM 1755 C GLY C 9 -10.232 -4.918 -2.744 1.00 0.00 C ATOM 1756 O GLY C 9 -11.372 -4.554 -2.458 1.00 0.00 O ATOM 0 H GLY C 9 -7.777 -4.852 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -9.959 -4.141 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.542 -5.793 -4.684 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.307 -5.164 -1.809 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.578 -5.015 -0.383 1.00 0.00 C ATOM 1762 C GLU C 10 -8.809 -3.822 0.194 1.00 0.00 C ATOM 1763 O GLU C 10 -8.083 -3.142 -0.532 1.00 0.00 O ATOM 1764 CB GLU C 10 -9.223 -6.312 0.347 1.00 0.00 C ATOM 1765 CG GLU C 10 -10.072 -7.493 -0.135 1.00 0.00 C ATOM 1766 CD GLU C 10 -11.562 -7.262 0.110 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -11.899 -6.788 1.218 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -12.357 -7.568 -0.807 1.00 0.00 O ATOM 0 H GLU C 10 -8.357 -5.470 -2.022 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.640 -4.817 -0.240 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.168 -6.537 0.193 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -9.367 -6.176 1.419 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.900 -7.653 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.756 -8.401 0.379 1.00 0.00 H new ATOM 1775 N SER C 11 -8.965 -3.556 1.501 1.00 0.00 N ATOM 1776 CA SER C 11 -8.447 -2.335 2.108 1.00 0.00 C ATOM 1777 C SER C 11 -7.792 -2.565 3.467 1.00 0.00 C ATOM 1778 O SER C 11 -7.859 -3.654 4.039 1.00 0.00 O ATOM 1779 CB SER C 11 -9.588 -1.324 2.242 1.00 0.00 C ATOM 1780 OG SER C 11 -10.112 -0.993 0.975 1.00 0.00 O ATOM 0 H SER C 11 -9.447 -4.176 2.152 1.00 0.00 H new ATOM 0 HA SER C 11 -7.664 -1.953 1.453 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.376 -1.739 2.870 1.00 0.00 H new ATOM 0 HB3 SER C 11 -9.226 -0.423 2.738 1.00 0.00 H new ATOM 0 HG SER C 11 -10.841 -0.347 1.081 1.00 0.00 H new ATOM 1786 N ILE C 12 -7.154 -1.505 3.964 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.287 -1.472 5.137 1.00 0.00 C ATOM 1788 C ILE C 12 -6.344 -0.052 5.709 1.00 0.00 C ATOM 1789 O ILE C 12 -6.829 0.861 5.041 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.849 -1.836 4.714 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.805 -3.253 4.119 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.858 -1.746 5.886 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.391 -3.652 3.695 1.00 0.00 C ATOM 0 H ILE C 12 -7.236 -0.587 3.527 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.609 -2.188 5.893 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.548 -1.108 3.960 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -5.178 -3.967 4.854 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.470 -3.305 3.257 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.859 -2.011 5.539 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.848 -0.729 6.277 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.163 -2.434 6.674 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.406 -4.660 3.280 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -3.027 -2.955 2.940 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.730 -3.626 4.562 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.857 0.156 6.938 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.899 1.461 7.583 1.00 0.00 C ATOM 1807 C ASN C 13 -4.647 1.752 8.408 1.00 0.00 C ATOM 1808 O ASN C 13 -3.961 0.840 8.874 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.126 1.547 8.484 1.00 0.00 C ATOM 1810 CG ASN C 13 -8.389 1.719 7.659 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -9.093 0.755 7.371 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.681 2.960 7.274 1.00 0.00 N ATOM 0 H ASN C 13 -5.427 -0.574 7.505 1.00 0.00 H new ATOM 0 HA ASN C 13 -5.949 2.208 6.791 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.202 0.644 9.090 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.019 2.385 9.173 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.517 3.138 6.718 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.068 3.733 7.535 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.377 3.049 8.572 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.231 3.564 9.304 1.00 0.00 C ATOM 1821 C ILE C 14 -3.675 4.785 10.109 1.00 0.00 C ATOM 1822 O ILE C 14 -4.538 5.546 9.664 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.111 3.948 8.321 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.674 2.718 7.507 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.916 4.532 9.076 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.579 3.046 6.492 1.00 0.00 C ATOM 0 H ILE C 14 -4.969 3.785 8.187 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.845 2.801 9.980 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.494 4.705 7.637 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.315 1.945 8.187 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.538 2.307 6.985 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.132 4.799 8.367 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.230 5.422 9.621 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.533 3.792 9.779 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.308 2.143 5.945 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.945 3.798 5.793 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.297 3.431 7.014 1.00 0.00 H new ATOM 1838 N GLY C 15 -3.086 4.972 11.296 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.448 6.074 12.169 1.00 0.00 C ATOM 1840 C GLY C 15 -4.944 6.066 12.451 1.00 0.00 C ATOM 1841 O GLY C 15 -5.536 5.009 12.666 1.00 0.00 O ATOM 0 H GLY C 15 -2.354 4.366 11.667 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.896 5.999 13.106 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -3.165 7.019 11.706 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.552 7.252 12.442 1.00 0.00 N ATOM 1846 CA ASP C 16 -6.989 7.408 12.610 1.00 0.00 C ATOM 1847 C ASP C 16 -7.538 8.381 11.561 1.00 0.00 C ATOM 1848 O ASP C 16 -8.655 8.875 11.693 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.304 7.841 14.047 1.00 0.00 C ATOM 1850 CG ASP C 16 -6.771 9.235 14.379 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -5.532 9.413 14.343 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -7.614 10.115 14.669 1.00 0.00 O ATOM 0 H ASP C 16 -5.055 8.134 12.317 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.489 6.453 12.448 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -8.383 7.825 14.198 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -6.875 7.119 14.741 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.746 8.651 10.516 1.00 0.00 N ATOM 1858 CA ASP C 17 -7.125 9.543 9.427 1.00 0.00 C ATOM 1859 C ASP C 17 -6.620 9.028 8.074 1.00 0.00 C ATOM 1860 O ASP C 17 -6.705 9.760 7.088 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.565 10.950 9.673 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.130 11.597 10.935 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.327 11.962 10.913 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.360 11.720 11.913 1.00 0.00 O ATOM 0 H ASP C 17 -5.815 8.249 10.407 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.214 9.578 9.399 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.479 10.896 9.753 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.790 11.582 8.814 1.00 0.00 H new ATOM 1869 N ILE C 18 -6.101 7.794 8.002 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.585 7.275 6.741 1.00 0.00 C ATOM 1871 C ILE C 18 -6.198 5.913 6.421 1.00 0.00 C ATOM 1872 O ILE C 18 -6.496 5.115 7.310 1.00 0.00 O ATOM 1873 CB ILE C 18 -4.050 7.187 6.769 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.397 8.540 7.072 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.529 6.696 5.413 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -3.158 8.719 8.571 1.00 0.00 C ATOM 0 H ILE C 18 -6.031 7.151 8.791 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.870 7.970 5.951 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.788 6.488 7.564 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.449 8.616 6.539 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -4.035 9.344 6.705 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.441 6.636 5.441 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.941 5.710 5.200 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.834 7.393 4.632 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.694 9.688 8.752 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.110 8.668 9.100 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.500 7.929 8.931 1.00 0.00 H new ATOM 1888 N THR C 19 -6.380 5.666 5.122 1.00 0.00 N ATOM 1889 CA THR C 19 -6.887 4.409 4.593 1.00 0.00 C ATOM 1890 C THR C 19 -6.031 4.034 3.387 1.00 0.00 C ATOM 1891 O THR C 19 -5.464 4.906 2.729 1.00 0.00 O ATOM 1892 CB THR C 19 -8.359 4.569 4.198 1.00 0.00 C ATOM 1893 OG1 THR C 19 -9.105 5.061 5.289 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.968 3.236 3.764 1.00 0.00 C ATOM 0 H THR C 19 -6.173 6.353 4.397 1.00 0.00 H new ATOM 0 HA THR C 19 -6.831 3.619 5.342 1.00 0.00 H new ATOM 0 HB THR C 19 -8.396 5.270 3.364 1.00 0.00 H new ATOM 0 HG1 THR C 19 -10.044 5.161 5.025 1.00 0.00 H new ATOM 0 HG21 THR C 19 -10.013 3.385 3.491 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.420 2.848 2.905 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.906 2.523 4.586 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.941 2.737 3.091 1.00 0.00 N ATOM 1903 CA ILE C 20 -5.108 2.209 2.022 1.00 0.00 C ATOM 1904 C ILE C 20 -5.906 1.140 1.285 1.00 0.00 C ATOM 1905 O ILE C 20 -6.716 0.444 1.894 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.836 1.595 2.632 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -3.024 2.591 3.468 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.949 0.987 1.540 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.387 3.696 2.625 1.00 0.00 C ATOM 0 H ILE C 20 -6.455 2.016 3.598 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.819 2.999 1.328 1.00 0.00 H new ATOM 0 HB ILE C 20 -4.175 0.811 3.310 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.673 3.042 4.218 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.242 2.054 4.005 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -2.055 0.559 1.994 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.500 0.206 1.017 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.660 1.764 0.832 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.826 4.370 3.272 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.713 3.252 1.892 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.167 4.255 2.109 1.00 0.00 H new ATOM 1921 N THR C 21 -5.677 1.008 -0.023 1.00 0.00 N ATOM 1922 CA THR C 21 -6.370 0.006 -0.822 1.00 0.00 C ATOM 1923 C THR C 21 -5.408 -0.607 -1.832 1.00 0.00 C ATOM 1924 O THR C 21 -4.492 0.058 -2.312 1.00 0.00 O ATOM 1925 CB THR C 21 -7.569 0.653 -1.529 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.325 1.413 -0.612 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.494 -0.401 -2.137 1.00 0.00 C ATOM 0 H THR C 21 -5.018 1.583 -0.547 1.00 0.00 H new ATOM 0 HA THR C 21 -6.737 -0.790 -0.174 1.00 0.00 H new ATOM 0 HB THR C 21 -7.170 1.288 -2.320 1.00 0.00 H new ATOM 0 HG1 THR C 21 -9.086 1.822 -1.075 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.332 0.091 -2.630 1.00 0.00 H new ATOM 0 HG22 THR C 21 -7.941 -0.993 -2.866 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.869 -1.054 -1.349 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.623 -1.883 -2.151 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.811 -2.641 -3.092 1.00 0.00 C ATOM 1937 C ILE C 22 -5.648 -2.823 -4.355 1.00 0.00 C ATOM 1938 O ILE C 22 -6.328 -3.832 -4.539 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.329 -3.937 -2.416 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.666 -4.933 -3.369 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.463 -4.675 -1.709 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.581 -4.275 -4.213 1.00 0.00 C ATOM 0 H ILE C 22 -6.386 -2.428 -1.750 1.00 0.00 H new ATOM 0 HA ILE C 22 -3.895 -2.132 -3.390 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.585 -3.587 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.233 -5.752 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.422 -5.368 -4.023 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.074 -5.583 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -5.892 -4.032 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.234 -4.938 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.136 -5.017 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.019 -3.473 -4.808 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -1.811 -3.864 -3.560 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.591 -1.823 -5.234 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.506 -1.700 -6.361 1.00 0.00 C ATOM 1956 C LEU C 23 -6.388 -2.845 -7.362 1.00 0.00 C ATOM 1957 O LEU C 23 -7.348 -3.131 -8.074 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.280 -0.358 -7.060 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.223 0.822 -6.084 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.167 2.118 -6.869 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.441 0.894 -5.171 1.00 0.00 C ATOM 0 H LEU C 23 -4.903 -1.072 -5.181 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.518 -1.750 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.349 -0.401 -7.625 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.082 -0.189 -7.779 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.336 0.676 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.126 2.960 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.278 2.123 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.056 2.204 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.344 1.749 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.342 1.005 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.509 -0.021 -4.582 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.225 -3.501 -7.431 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.074 -4.644 -8.314 1.00 0.00 C ATOM 1975 C GLY C 24 -3.633 -5.118 -8.441 1.00 0.00 C ATOM 1976 O GLY C 24 -2.738 -4.619 -7.761 1.00 0.00 O ATOM 0 H GLY C 24 -4.392 -3.260 -6.893 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.688 -5.465 -7.943 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.452 -4.384 -9.302 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.428 -6.097 -9.324 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.148 -6.754 -9.532 1.00 0.00 C ATOM 1982 C VAL C 25 -1.959 -7.030 -11.021 1.00 0.00 C ATOM 1983 O VAL C 25 -2.913 -7.361 -11.723 1.00 0.00 O ATOM 1984 CB VAL C 25 -2.113 -8.040 -8.692 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -3.234 -9.012 -9.064 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -0.772 -8.754 -8.827 1.00 0.00 C ATOM 0 H VAL C 25 -4.168 -6.459 -9.925 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.323 -6.118 -9.211 1.00 0.00 H new ATOM 0 HB VAL C 25 -2.258 -7.726 -7.658 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -3.164 -9.904 -8.441 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.200 -8.532 -8.904 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -3.138 -9.293 -10.113 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -0.779 -9.660 -8.221 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -0.604 -9.018 -9.871 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.027 -8.096 -8.486 1.00 0.00 H new ATOM 1996 N SER C 26 -0.718 -6.888 -11.496 1.00 0.00 N ATOM 1997 CA SER C 26 -0.366 -7.022 -12.901 1.00 0.00 C ATOM 1998 C SER C 26 1.053 -7.572 -12.997 1.00 0.00 C ATOM 1999 O SER C 26 1.977 -6.855 -13.384 1.00 0.00 O ATOM 2000 CB SER C 26 -0.454 -5.665 -13.607 1.00 0.00 C ATOM 2001 OG SER C 26 -1.771 -5.159 -13.545 1.00 0.00 O ATOM 0 H SER C 26 0.080 -6.673 -10.899 1.00 0.00 H new ATOM 0 HA SER C 26 -1.063 -7.703 -13.389 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.235 -4.961 -13.141 1.00 0.00 H new ATOM 0 HB3 SER C 26 -0.147 -5.769 -14.648 1.00 0.00 H new ATOM 0 HG SER C 26 -1.810 -4.291 -13.999 1.00 0.00 H new ATOM 2007 N GLY C 27 1.229 -8.845 -12.640 1.00 0.00 N ATOM 2008 CA GLY C 27 2.553 -9.443 -12.608 1.00 0.00 C ATOM 2009 C GLY C 27 3.331 -8.850 -11.442 1.00 0.00 C ATOM 2010 O GLY C 27 2.780 -8.663 -10.355 1.00 0.00 O ATOM 0 H GLY C 27 0.472 -9.474 -12.371 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.476 -10.525 -12.499 1.00 0.00 H new ATOM 0 HA3 GLY C 27 3.075 -9.253 -13.546 1.00 0.00 H new ATOM 2014 N GLN C 28 4.613 -8.553 -11.659 1.00 0.00 N ATOM 2015 CA GLN C 28 5.428 -7.935 -10.628 1.00 0.00 C ATOM 2016 C GLN C 28 4.941 -6.520 -10.321 1.00 0.00 C ATOM 2017 O GLN C 28 5.309 -5.980 -9.281 1.00 0.00 O ATOM 2018 CB GLN C 28 6.899 -7.926 -11.056 1.00 0.00 C ATOM 2019 CG GLN C 28 7.545 -9.297 -10.820 1.00 0.00 C ATOM 2020 CD GLN C 28 6.670 -10.458 -11.279 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.565 -10.734 -12.474 1.00 0.00 O ATOM 2022 NE2 GLN C 28 6.035 -11.141 -10.332 1.00 0.00 N ATOM 0 H GLN C 28 5.102 -8.732 -12.536 1.00 0.00 H new ATOM 0 HA GLN C 28 5.335 -8.522 -9.714 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.974 -7.661 -12.111 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.440 -7.163 -10.496 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.498 -9.338 -11.347 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.762 -9.411 -9.758 1.00 0.00 H new ATOM 0 HE21 GLN C 28 6.148 -10.881 -9.352 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.434 -11.926 -10.585 1.00 0.00 H new ATOM 2031 N GLN C 29 4.125 -5.911 -11.192 1.00 0.00 N ATOM 2032 CA GLN C 29 3.588 -4.587 -10.946 1.00 0.00 C ATOM 2033 C GLN C 29 2.322 -4.723 -10.109 1.00 0.00 C ATOM 2034 O GLN C 29 1.604 -5.718 -10.209 1.00 0.00 O ATOM 2035 CB GLN C 29 3.271 -3.918 -12.287 1.00 0.00 C ATOM 2036 CG GLN C 29 3.239 -2.394 -12.143 1.00 0.00 C ATOM 2037 CD GLN C 29 4.597 -1.771 -12.439 1.00 0.00 C ATOM 2038 OE1 GLN C 29 5.180 -1.113 -11.581 1.00 0.00 O ATOM 2039 NE2 GLN C 29 5.108 -1.967 -13.654 1.00 0.00 N ATOM 0 H GLN C 29 3.827 -6.326 -12.075 1.00 0.00 H new ATOM 0 HA GLN C 29 4.311 -3.974 -10.409 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.020 -4.202 -13.026 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.309 -4.273 -12.657 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.493 -1.980 -12.822 1.00 0.00 H new ATOM 0 HG3 GLN C 29 2.931 -2.131 -11.131 1.00 0.00 H new ATOM 0 HE21 GLN C 29 4.594 -2.520 -14.340 1.00 0.00 H new ATOM 0 HE22 GLN C 29 6.013 -1.565 -13.898 1.00 0.00 H new ATOM 2048 N VAL C 30 2.044 -3.717 -9.280 1.00 0.00 N ATOM 2049 CA VAL C 30 0.893 -3.707 -8.397 1.00 0.00 C ATOM 2050 C VAL C 30 0.355 -2.282 -8.381 1.00 0.00 C ATOM 2051 O VAL C 30 1.140 -1.337 -8.410 1.00 0.00 O ATOM 2052 CB VAL C 30 1.354 -4.138 -6.998 1.00 0.00 C ATOM 2053 CG1 VAL C 30 0.179 -4.202 -6.028 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.996 -5.527 -7.021 1.00 0.00 C ATOM 0 H VAL C 30 2.622 -2.880 -9.207 1.00 0.00 H new ATOM 0 HA VAL C 30 0.111 -4.391 -8.728 1.00 0.00 H new ATOM 0 HB VAL C 30 2.080 -3.392 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.535 -4.510 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.286 -3.219 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.553 -4.923 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.310 -5.799 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.272 -6.256 -7.385 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.863 -5.516 -7.681 1.00 0.00 H new ATOM 2064 N ARG C 31 -0.971 -2.117 -8.337 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.561 -0.785 -8.288 1.00 0.00 C ATOM 2066 C ARG C 31 -2.193 -0.595 -6.922 1.00 0.00 C ATOM 2067 O ARG C 31 -2.975 -1.428 -6.459 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.567 -0.586 -9.425 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.910 0.907 -9.541 1.00 0.00 C ATOM 2070 CD ARG C 31 -3.905 1.200 -10.666 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.399 0.759 -11.970 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.995 1.039 -13.133 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -5.116 1.757 -13.179 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.461 0.596 -14.268 1.00 0.00 N ATOM 0 H ARG C 31 -1.645 -2.882 -8.334 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.791 -0.027 -8.431 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.149 -0.949 -10.364 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.470 -1.165 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.325 1.254 -8.595 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.995 1.473 -9.715 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.850 0.700 -10.455 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.111 2.270 -10.699 1.00 0.00 H new ATOM 0 HE ARG C 31 -2.542 0.206 -11.991 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -5.535 2.104 -12.316 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -5.555 1.960 -14.077 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -2.602 0.046 -14.247 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.911 0.806 -15.159 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.842 0.517 -6.280 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.172 0.763 -4.889 1.00 0.00 C ATOM 2090 C ILE C 32 -2.765 2.158 -4.765 1.00 0.00 C ATOM 2091 O ILE C 32 -2.488 3.024 -5.591 1.00 0.00 O ATOM 2092 CB ILE C 32 -0.899 0.622 -4.031 1.00 0.00 C ATOM 2093 CG1 ILE C 32 0.058 -0.440 -4.602 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.299 0.284 -2.591 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.262 -0.682 -3.691 1.00 0.00 C ATOM 0 H ILE C 32 -1.317 1.274 -6.718 1.00 0.00 H new ATOM 0 HA ILE C 32 -2.905 0.038 -4.535 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.361 1.570 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.483 -1.376 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.406 -0.122 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.403 0.183 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.924 1.082 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.855 -0.654 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.908 -1.439 -4.136 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.820 0.247 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.917 -1.027 -2.716 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.577 2.381 -3.731 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.218 3.661 -3.506 1.00 0.00 C ATOM 2109 C GLY C 33 -4.072 4.076 -2.050 1.00 0.00 C ATOM 2110 O GLY C 33 -3.902 3.237 -1.168 1.00 0.00 O ATOM 0 H GLY C 33 -3.804 1.675 -3.031 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -3.773 4.417 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.274 3.598 -3.769 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.132 5.384 -1.810 1.00 0.00 N ATOM 2115 CA ILE C 34 -3.981 5.959 -0.486 1.00 0.00 C ATOM 2116 C ILE C 34 -5.042 7.034 -0.312 1.00 0.00 C ATOM 2117 O ILE C 34 -5.381 7.733 -1.263 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.578 6.557 -0.329 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.502 5.496 -0.601 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.418 7.129 1.085 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.096 6.096 -0.619 1.00 0.00 C ATOM 0 H ILE C 34 -4.289 6.078 -2.541 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.105 5.190 0.277 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.453 7.359 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.556 4.721 0.164 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.702 5.014 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.420 7.554 1.195 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.164 7.907 1.249 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.556 6.333 1.817 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.633 5.309 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.033 6.852 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE C 34 0.116 6.555 0.347 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.569 7.172 0.905 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.614 8.136 1.198 1.00 0.00 C ATOM 2135 C ASN C 35 -6.318 8.785 2.548 1.00 0.00 C ATOM 2136 O ASN C 35 -6.485 8.164 3.595 1.00 0.00 O ATOM 2137 CB ASN C 35 -7.967 7.419 1.180 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.135 8.391 1.266 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -8.957 9.587 1.479 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.350 7.878 1.097 1.00 0.00 N ATOM 0 H ASN C 35 -5.280 6.617 1.710 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.648 8.927 0.448 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.052 6.831 0.266 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.017 6.720 2.015 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.170 8.483 1.143 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.462 6.879 0.922 1.00 0.00 H new ATOM 2147 N ALA C 36 -5.882 10.045 2.501 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.504 10.811 3.675 1.00 0.00 C ATOM 2149 C ALA C 36 -5.727 12.302 3.404 1.00 0.00 C ATOM 2150 O ALA C 36 -5.823 12.705 2.244 1.00 0.00 O ATOM 2151 CB ALA C 36 -4.025 10.544 3.966 1.00 0.00 C ATOM 0 H ALA C 36 -5.782 10.564 1.629 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.109 10.518 4.533 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.719 11.110 4.846 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -3.877 9.480 4.150 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.424 10.851 3.110 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.813 13.125 4.457 1.00 0.00 N ATOM 2158 CA PRO C 37 -5.904 14.569 4.326 1.00 0.00 C ATOM 2159 C PRO C 37 -4.620 15.136 3.723 1.00 0.00 C ATOM 2160 O PRO C 37 -3.557 14.532 3.833 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.117 15.091 5.748 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.544 13.991 6.645 1.00 0.00 C ATOM 2163 CD PRO C 37 -5.827 12.723 5.850 1.00 0.00 C ATOM 0 HA PRO C 37 -6.715 14.868 3.662 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.603 16.040 5.905 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.173 15.263 5.955 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.477 14.128 6.821 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.028 13.972 7.621 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.073 11.961 6.046 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -6.791 12.295 6.125 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.709 16.311 3.085 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.527 17.027 2.605 1.00 0.00 C ATOM 2173 C LYS C 38 -2.700 17.534 3.786 1.00 0.00 C ATOM 2174 O LYS C 38 -1.657 18.157 3.603 1.00 0.00 O ATOM 2175 CB LYS C 38 -3.937 18.167 1.671 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.729 17.656 0.461 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.969 16.572 -0.297 1.00 0.00 C ATOM 2178 CE LYS C 38 -2.629 17.080 -0.838 1.00 0.00 C ATOM 2179 NZ LYS C 38 -2.817 18.173 -1.811 1.00 0.00 N ATOM 0 H LYS C 38 -5.592 16.784 2.891 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.903 16.341 2.033 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.540 18.889 2.222 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.046 18.693 1.327 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.688 17.261 0.795 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -4.943 18.487 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -3.794 15.723 0.364 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -4.581 16.212 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -2.011 17.430 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -2.092 16.258 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -1.913 18.378 -2.282 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -3.520 17.888 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -3.151 19.025 -1.316 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.187 17.256 4.997 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.489 17.519 6.243 1.00 0.00 C ATOM 2195 C ASP C 39 -1.243 16.639 6.346 1.00 0.00 C ATOM 2196 O ASP C 39 -0.396 16.848 7.214 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.440 17.205 7.399 1.00 0.00 C ATOM 2198 CG ASP C 39 -2.930 17.772 8.721 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -2.718 19.007 8.781 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -2.751 16.967 9.663 1.00 0.00 O ATOM 0 H ASP C 39 -4.104 16.830 5.135 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.177 18.563 6.281 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -4.425 17.618 7.182 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -3.560 16.125 7.488 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.138 15.647 5.451 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.022 14.719 5.372 1.00 0.00 C ATOM 2207 C VAL C 40 0.323 14.509 3.897 1.00 0.00 C ATOM 2208 O VAL C 40 -0.424 14.929 3.014 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.364 13.390 6.065 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -0.876 13.641 7.485 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.430 12.596 5.315 1.00 0.00 C ATOM 0 H VAL C 40 -1.853 15.470 4.745 1.00 0.00 H new ATOM 0 HA VAL C 40 0.843 15.130 5.892 1.00 0.00 H new ATOM 0 HB VAL C 40 0.559 12.811 6.081 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.113 12.689 7.960 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.108 14.154 8.064 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.773 14.259 7.444 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.634 11.667 5.847 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.345 13.185 5.251 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.074 12.368 4.310 1.00 0.00 H new ATOM 2221 N ALA C 41 1.458 13.862 3.620 1.00 0.00 N ATOM 2222 CA ALA C 41 1.946 13.718 2.260 1.00 0.00 C ATOM 2223 C ALA C 41 2.077 12.246 1.877 1.00 0.00 C ATOM 2224 O ALA C 41 2.161 11.388 2.751 1.00 0.00 O ATOM 2225 CB ALA C 41 3.295 14.428 2.146 1.00 0.00 C ATOM 0 H ALA C 41 2.053 13.431 4.327 1.00 0.00 H new ATOM 0 HA ALA C 41 1.233 14.170 1.571 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.674 14.328 1.129 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.172 15.484 2.385 1.00 0.00 H new ATOM 0 HB3 ALA C 41 4.003 13.979 2.843 1.00 0.00 H new ATOM 2231 N VAL C 42 2.088 11.953 0.572 1.00 0.00 N ATOM 2232 CA VAL C 42 2.249 10.591 0.072 1.00 0.00 C ATOM 2233 C VAL C 42 3.028 10.617 -1.241 1.00 0.00 C ATOM 2234 O VAL C 42 2.693 11.381 -2.142 1.00 0.00 O ATOM 2235 CB VAL C 42 0.876 9.923 -0.135 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.013 10.042 1.104 1.00 0.00 C ATOM 2237 CG2 VAL C 42 0.086 10.526 -1.298 1.00 0.00 C ATOM 0 H VAL C 42 1.986 12.654 -0.162 1.00 0.00 H new ATOM 0 HA VAL C 42 2.803 10.008 0.808 1.00 0.00 H new ATOM 0 HB VAL C 42 1.114 8.881 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -0.970 9.557 0.913 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.476 9.559 1.950 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.179 11.095 1.333 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -0.871 10.013 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.087 11.586 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.653 10.410 -2.222 1.00 0.00 H new ATOM 2247 N HIS C 43 4.072 9.789 -1.362 1.00 0.00 N ATOM 2248 CA HIS C 43 4.839 9.690 -2.600 1.00 0.00 C ATOM 2249 C HIS C 43 5.576 8.358 -2.667 1.00 0.00 C ATOM 2250 O HIS C 43 5.617 7.612 -1.685 1.00 0.00 O ATOM 2251 CB HIS C 43 5.891 10.810 -2.705 1.00 0.00 C ATOM 2252 CG HIS C 43 5.465 12.160 -2.191 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.856 13.156 -2.955 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.615 12.609 -0.905 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.649 14.179 -2.113 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.092 13.880 -0.880 1.00 0.00 N ATOM 0 H HIS C 43 4.402 9.179 -0.614 1.00 0.00 H new ATOM 0 HA HIS C 43 4.125 9.778 -3.419 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.781 10.499 -2.159 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.179 10.915 -3.751 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.618 13.115 -3.946 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.055 12.072 -0.078 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.189 15.116 -2.389 1.00 0.00 H new ATOM 2264 N ARG C 44 6.166 8.059 -3.827 1.00 0.00 N ATOM 2265 CA ARG C 44 7.065 6.921 -3.956 1.00 0.00 C ATOM 2266 C ARG C 44 8.331 7.195 -3.157 1.00 0.00 C ATOM 2267 O ARG C 44 8.663 8.350 -2.893 1.00 0.00 O ATOM 2268 CB ARG C 44 7.415 6.695 -5.426 1.00 0.00 C ATOM 2269 CG ARG C 44 6.190 6.235 -6.218 1.00 0.00 C ATOM 2270 CD ARG C 44 6.558 6.069 -7.691 1.00 0.00 C ATOM 2271 NE ARG C 44 6.758 7.370 -8.346 1.00 0.00 N ATOM 2272 CZ ARG C 44 7.527 7.576 -9.415 1.00 0.00 C ATOM 2273 NH1 ARG C 44 8.242 6.586 -9.945 1.00 0.00 N ATOM 2274 NH2 ARG C 44 7.585 8.783 -9.966 1.00 0.00 N ATOM 0 H ARG C 44 6.034 8.592 -4.687 1.00 0.00 H new ATOM 0 HA ARG C 44 6.577 6.025 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.805 7.617 -5.856 1.00 0.00 H new ATOM 0 HB3 ARG C 44 8.205 5.948 -5.505 1.00 0.00 H new ATOM 0 HG2 ARG C 44 5.820 5.291 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG C 44 5.385 6.962 -6.115 1.00 0.00 H new ATOM 0 HD2 ARG C 44 7.468 5.474 -7.775 1.00 0.00 H new ATOM 0 HD3 ARG C 44 5.769 5.519 -8.205 1.00 0.00 H new ATOM 0 HE ARG C 44 6.272 8.176 -7.953 1.00 0.00 H new ATOM 0 HH11 ARG C 44 8.206 5.654 -9.533 1.00 0.00 H new ATOM 0 HH12 ARG C 44 8.826 6.760 -10.763 1.00 0.00 H new ATOM 0 HH21 ARG C 44 7.042 9.551 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG C 44 8.173 8.942 -10.784 1.00 0.00 H new ATOM 2288 N GLU C 45 9.040 6.134 -2.765 1.00 0.00 N ATOM 2289 CA GLU C 45 10.267 6.263 -1.994 1.00 0.00 C ATOM 2290 C GLU C 45 11.314 7.081 -2.762 1.00 0.00 C ATOM 2291 O GLU C 45 12.199 7.689 -2.171 1.00 0.00 O ATOM 2292 CB GLU C 45 10.757 4.849 -1.665 1.00 0.00 C ATOM 2293 CG GLU C 45 11.742 4.833 -0.494 1.00 0.00 C ATOM 2294 CD GLU C 45 13.147 5.291 -0.865 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.626 4.875 -1.944 1.00 0.00 O ATOM 2296 OE2 GLU C 45 13.729 6.054 -0.061 1.00 0.00 O ATOM 0 H GLU C 45 8.778 5.171 -2.974 1.00 0.00 H new ATOM 0 HA GLU C 45 10.087 6.807 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.902 4.217 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU C 45 11.235 4.419 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU C 45 11.359 5.474 0.300 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.795 3.822 -0.090 1.00 0.00 H new ATOM 2303 N GLU C 46 11.201 7.084 -4.088 1.00 0.00 N ATOM 2304 CA GLU C 46 12.092 7.828 -4.965 1.00 0.00 C ATOM 2305 C GLU C 46 11.847 9.332 -4.849 1.00 0.00 C ATOM 2306 O GLU C 46 12.791 10.104 -4.700 1.00 0.00 O ATOM 2307 CB GLU C 46 11.831 7.396 -6.417 1.00 0.00 C ATOM 2308 CG GLU C 46 11.906 5.880 -6.574 1.00 0.00 C ATOM 2309 CD GLU C 46 11.537 5.442 -7.990 1.00 0.00 C ATOM 2310 OE1 GLU C 46 12.342 5.714 -8.908 1.00 0.00 O ATOM 2311 OE2 GLU C 46 10.450 4.835 -8.136 1.00 0.00 O ATOM 0 H GLU C 46 10.479 6.563 -4.586 1.00 0.00 H new ATOM 0 HA GLU C 46 13.122 7.619 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU C 46 10.848 7.747 -6.730 1.00 0.00 H new ATOM 0 HB3 GLU C 46 12.562 7.867 -7.074 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.914 5.539 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU C 46 11.233 5.406 -5.859 1.00 0.00 H new ATOM 2318 N ILE C 47 10.580 9.753 -4.918 1.00 0.00 N ATOM 2319 CA ILE C 47 10.233 11.168 -4.891 1.00 0.00 C ATOM 2320 C ILE C 47 10.390 11.704 -3.469 1.00 0.00 C ATOM 2321 O ILE C 47 10.640 12.888 -3.269 1.00 0.00 O ATOM 2322 CB ILE C 47 8.779 11.354 -5.352 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.455 10.560 -6.625 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.491 12.838 -5.588 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.462 10.783 -7.749 1.00 0.00 C ATOM 0 H ILE C 47 9.778 9.127 -4.993 1.00 0.00 H new ATOM 0 HA ILE C 47 10.896 11.715 -5.562 1.00 0.00 H new ATOM 0 HB ILE C 47 8.142 10.968 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.420 9.498 -6.383 1.00 0.00 H new ATOM 0 HG13 ILE C 47 7.462 10.839 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.458 12.961 -5.915 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.647 13.391 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE C 47 9.162 13.221 -6.356 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.173 10.193 -8.619 1.00 0.00 H new ATOM 0 HD12 ILE C 47 9.480 11.839 -8.017 1.00 0.00 H new ATOM 0 HD13 ILE C 47 10.453 10.477 -7.415 1.00 0.00 H new ATOM 2337 N TYR C 48 10.239 10.818 -2.485 1.00 0.00 N ATOM 2338 CA TYR C 48 10.323 11.160 -1.077 1.00 0.00 C ATOM 2339 C TYR C 48 11.684 11.745 -0.718 1.00 0.00 C ATOM 2340 O TYR C 48 11.770 12.642 0.119 1.00 0.00 O ATOM 2341 CB TYR C 48 10.045 9.873 -0.298 1.00 0.00 C ATOM 2342 CG TYR C 48 10.030 10.012 1.199 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.944 10.625 1.837 1.00 0.00 C ATOM 2344 CD2 TYR C 48 11.106 9.518 1.948 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.905 10.703 3.235 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.063 9.573 3.346 1.00 0.00 C ATOM 2347 CZ TYR C 48 9.953 10.151 3.998 1.00 0.00 C ATOM 2348 OH TYR C 48 9.903 10.182 5.358 1.00 0.00 O ATOM 0 H TYR C 48 10.052 9.829 -2.653 1.00 0.00 H new ATOM 0 HA TYR C 48 9.595 11.932 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR C 48 9.082 9.476 -0.618 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.800 9.135 -0.569 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.136 11.038 1.251 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.966 9.096 1.448 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.073 11.185 3.727 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.881 9.172 3.927 1.00 0.00 H new ATOM 0 HH TYR C 48 10.706 9.757 5.725 1.00 0.00 H new