USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 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= 0.515 K(o=0.52,f=-5.1!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.204 USER MOD Set 2.2: C 21 THR OG1 : rot -76:sc= 0.213 USER MOD Set 3.1: A 13 ASN : amide:sc=-0.00885 X(o=-0.0088,f=-0.29) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot -92:sc= 0.264 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 1 MET CE :methyl -128:sc= -0.0171 (180deg=-0.326) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0535 (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 :FLIP amide:sc= -0.565 F(o=-1.3,f=-0.56) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 35 ASN : amide:sc=-0.00725 K(o=-0.0073,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= -0.0585 (180deg=-0.345) USER MOD Single : A 43 HIS : no HE2:sc= -1.94 K(o=-1.9,f=-3.8!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -133:sc= -0.0125 (180deg=-0.128) USER MOD Single : C 1 MET N :NH3+ 136:sc= 0.0271 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= -0.0981 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot -56:sc= 0.00794 USER MOD Single : C 28 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.094) USER MOD Single : C 29 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.11) USER MOD Single : C 35 ASN : amide:sc= -0.0834 K(o=-0.083,f=-1.6) USER MOD Single : C 38 LYS NZ :NH3+ 158:sc= -0.0646 (180deg=-0.449) USER MOD Single : C 43 HIS : no HE2:sc= -2.32 K(o=-2.3,f=-4!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.825 -5.015 -11.589 1.00 0.00 N ATOM 2 CA MET A 1 -5.732 -4.196 -10.365 1.00 0.00 C ATOM 3 C MET A 1 -6.838 -4.569 -9.387 1.00 0.00 C ATOM 4 O MET A 1 -7.921 -4.971 -9.804 1.00 0.00 O ATOM 5 CB MET A 1 -5.857 -2.711 -10.715 1.00 0.00 C ATOM 6 CG MET A 1 -5.469 -1.785 -9.561 1.00 0.00 C ATOM 7 SD MET A 1 -3.696 -1.486 -9.416 1.00 0.00 S ATOM 8 CE MET A 1 -3.588 -0.317 -10.790 1.00 0.00 C ATOM 0 H1 MET A 1 -5.707 -4.406 -12.424 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.078 -5.739 -11.580 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.755 -5.478 -11.627 1.00 0.00 H new ATOM 0 HA MET A 1 -4.763 -4.385 -9.902 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.225 -2.493 -11.576 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.884 -2.500 -11.012 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.978 -0.830 -9.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.831 -2.215 -8.627 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.800 -0.632 -11.474 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.540 -0.290 -11.320 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.359 0.677 -10.405 1.00 0.00 H new ATOM 20 N LEU A 2 -6.568 -4.433 -8.088 1.00 0.00 N ATOM 21 CA LEU A 2 -7.550 -4.624 -7.041 1.00 0.00 C ATOM 22 C LEU A 2 -7.462 -3.406 -6.126 1.00 0.00 C ATOM 23 O LEU A 2 -6.425 -3.157 -5.521 1.00 0.00 O ATOM 24 CB LEU A 2 -7.251 -5.963 -6.348 1.00 0.00 C ATOM 25 CG LEU A 2 -8.217 -6.357 -5.224 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.853 -5.666 -3.910 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.671 -6.051 -5.579 1.00 0.00 C ATOM 0 H LEU A 2 -5.644 -4.183 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.576 -4.689 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.257 -6.751 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.242 -5.922 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.118 -7.435 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.557 -5.966 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.844 -5.953 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.899 -4.585 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.317 -6.347 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.784 -4.983 -5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.951 -6.605 -6.475 1.00 0.00 H new ATOM 39 N ILE A 3 -8.557 -2.644 -6.040 1.00 0.00 N ATOM 40 CA ILE A 3 -8.577 -1.365 -5.347 1.00 0.00 C ATOM 41 C ILE A 3 -9.247 -1.512 -3.990 1.00 0.00 C ATOM 42 O ILE A 3 -10.198 -2.277 -3.826 1.00 0.00 O ATOM 43 CB ILE A 3 -9.287 -0.309 -6.203 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.444 0.066 -7.425 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.511 0.985 -5.420 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.637 -0.900 -8.584 1.00 0.00 C ATOM 0 H ILE A 3 -9.453 -2.903 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.551 -1.034 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.238 -0.751 -6.502 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.706 1.073 -7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.391 0.086 -7.144 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.016 1.712 -6.056 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.127 0.779 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.550 1.388 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.017 -0.588 -9.425 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.348 -1.904 -8.273 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.684 -0.901 -8.886 1.00 0.00 H new ATOM 58 N LEU A 4 -8.721 -0.756 -3.022 1.00 0.00 N ATOM 59 CA LEU A 4 -9.185 -0.713 -1.648 1.00 0.00 C ATOM 60 C LEU A 4 -9.091 0.726 -1.164 1.00 0.00 C ATOM 61 O LEU A 4 -8.310 1.521 -1.697 1.00 0.00 O ATOM 62 CB LEU A 4 -8.334 -1.651 -0.783 1.00 0.00 C ATOM 63 CG LEU A 4 -8.490 -3.119 -1.201 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.536 -3.993 -0.391 1.00 0.00 C ATOM 65 CD2 LEU A 4 -9.906 -3.624 -0.941 1.00 0.00 C ATOM 0 H LEU A 4 -7.929 -0.135 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.219 -1.050 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.286 -1.362 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.621 -1.539 0.263 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.269 -3.177 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.652 -5.034 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.509 -3.675 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.765 -3.895 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.982 -4.667 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.132 -3.541 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.616 -3.025 -1.511 1.00 0.00 H new ATOM 77 N THR A 5 -9.884 1.071 -0.147 1.00 0.00 N ATOM 78 CA THR A 5 -9.973 2.443 0.328 1.00 0.00 C ATOM 79 C THR A 5 -9.845 2.468 1.844 1.00 0.00 C ATOM 80 O THR A 5 -10.341 1.579 2.538 1.00 0.00 O ATOM 81 CB THR A 5 -11.297 3.043 -0.153 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.397 2.877 -1.551 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.397 4.534 0.150 1.00 0.00 C ATOM 0 H THR A 5 -10.474 0.412 0.362 1.00 0.00 H new ATOM 0 HA THR A 5 -9.160 3.048 -0.074 1.00 0.00 H new ATOM 0 HB THR A 5 -12.100 2.527 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.243 3.258 -1.866 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.353 4.915 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.325 4.692 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.585 5.062 -0.350 1.00 0.00 H new ATOM 91 N ARG A 6 -9.164 3.499 2.354 1.00 0.00 N ATOM 92 CA ARG A 6 -8.793 3.630 3.757 1.00 0.00 C ATOM 93 C ARG A 6 -8.848 5.094 4.173 1.00 0.00 C ATOM 94 O ARG A 6 -9.193 5.958 3.373 1.00 0.00 O ATOM 95 CB ARG A 6 -7.362 3.106 3.950 1.00 0.00 C ATOM 96 CG ARG A 6 -7.179 1.614 3.649 1.00 0.00 C ATOM 97 CD ARG A 6 -7.585 0.721 4.819 1.00 0.00 C ATOM 98 NE ARG A 6 -9.028 0.710 5.066 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.618 -0.048 5.995 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.913 -0.912 6.718 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.925 0.056 6.205 1.00 0.00 N ATOM 0 H ARG A 6 -8.850 4.284 1.783 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.488 3.055 4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.691 3.677 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.056 3.295 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.771 1.349 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.136 1.424 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.249 -0.297 4.623 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.072 1.058 5.720 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.617 1.316 4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.908 -1.003 6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.377 -1.484 7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.479 0.715 5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.375 -0.523 6.914 1.00 0.00 H new ATOM 115 N LYS A 7 -8.503 5.366 5.431 1.00 0.00 N ATOM 116 CA LYS A 7 -8.361 6.715 5.960 1.00 0.00 C ATOM 117 C LYS A 7 -7.197 6.689 6.940 1.00 0.00 C ATOM 118 O LYS A 7 -6.858 5.622 7.450 1.00 0.00 O ATOM 119 CB LYS A 7 -9.682 7.133 6.604 1.00 0.00 C ATOM 120 CG LYS A 7 -9.712 8.582 7.087 1.00 0.00 C ATOM 121 CD LYS A 7 -11.117 8.942 7.579 1.00 0.00 C ATOM 122 CE LYS A 7 -11.521 8.063 8.764 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.898 8.365 9.208 1.00 0.00 N ATOM 0 H LYS A 7 -8.312 4.639 6.121 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.144 7.452 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.487 6.985 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.885 6.476 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.990 8.721 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.419 9.250 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.146 9.991 7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.834 8.818 6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.449 7.013 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.827 8.220 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.145 7.754 10.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.958 9.362 9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.561 8.192 8.426 1.00 0.00 H new ATOM 137 N VAL A 8 -6.576 7.840 7.210 1.00 0.00 N ATOM 138 CA VAL A 8 -5.354 7.844 8.005 1.00 0.00 C ATOM 139 C VAL A 8 -5.543 7.132 9.338 1.00 0.00 C ATOM 140 O VAL A 8 -6.417 7.483 10.130 1.00 0.00 O ATOM 141 CB VAL A 8 -4.770 9.249 8.151 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.570 9.810 6.749 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.618 10.239 8.943 1.00 0.00 C ATOM 0 H VAL A 8 -6.892 8.758 6.897 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.608 7.267 7.458 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.847 9.137 8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.153 10.815 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.885 9.169 6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.529 9.848 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.110 11.202 8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.586 10.360 8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.766 9.863 9.955 1.00 0.00 H new ATOM 153 N GLY A 9 -4.709 6.116 9.568 1.00 0.00 N ATOM 154 CA GLY A 9 -4.756 5.307 10.779 1.00 0.00 C ATOM 155 C GLY A 9 -5.275 3.886 10.535 1.00 0.00 C ATOM 156 O GLY A 9 -5.435 3.128 11.491 1.00 0.00 O ATOM 0 H GLY A 9 -3.980 5.833 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.757 5.253 11.211 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.394 5.799 11.513 1.00 0.00 H new ATOM 160 N GLU A 10 -5.547 3.510 9.280 1.00 0.00 N ATOM 161 CA GLU A 10 -6.071 2.189 8.933 1.00 0.00 C ATOM 162 C GLU A 10 -5.030 1.367 8.166 1.00 0.00 C ATOM 163 O GLU A 10 -3.938 1.854 7.881 1.00 0.00 O ATOM 164 CB GLU A 10 -7.359 2.340 8.118 1.00 0.00 C ATOM 165 CG GLU A 10 -8.441 3.036 8.948 1.00 0.00 C ATOM 166 CD GLU A 10 -9.769 3.098 8.197 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.732 3.253 6.959 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.817 2.990 8.872 1.00 0.00 O ATOM 0 H GLU A 10 -5.408 4.119 8.474 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.299 1.651 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.159 2.916 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.712 1.359 7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.578 2.503 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.116 4.046 9.198 1.00 0.00 H new ATOM 175 N SER A 11 -5.364 0.112 7.833 1.00 0.00 N ATOM 176 CA SER A 11 -4.411 -0.817 7.231 1.00 0.00 C ATOM 177 C SER A 11 -5.053 -1.725 6.182 1.00 0.00 C ATOM 178 O SER A 11 -6.272 -1.756 6.031 1.00 0.00 O ATOM 179 CB SER A 11 -3.783 -1.675 8.333 1.00 0.00 C ATOM 180 OG SER A 11 -3.087 -0.868 9.263 1.00 0.00 O ATOM 0 H SER A 11 -6.295 -0.280 7.974 1.00 0.00 H new ATOM 0 HA SER A 11 -3.652 -0.223 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.560 -2.241 8.846 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.100 -2.400 7.891 1.00 0.00 H new ATOM 0 HG SER A 11 -2.150 -0.786 8.988 1.00 0.00 H new ATOM 186 N ILE A 12 -4.200 -2.465 5.463 1.00 0.00 N ATOM 187 CA ILE A 12 -4.553 -3.383 4.381 1.00 0.00 C ATOM 188 C ILE A 12 -3.642 -4.606 4.506 1.00 0.00 C ATOM 189 O ILE A 12 -2.600 -4.523 5.156 1.00 0.00 O ATOM 190 CB ILE A 12 -4.341 -2.669 3.031 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.287 -1.473 2.859 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.500 -3.622 1.843 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.760 -1.872 2.739 1.00 0.00 C ATOM 0 H ILE A 12 -3.194 -2.436 5.631 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.596 -3.695 4.439 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.314 -2.303 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.169 -0.801 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.996 -0.915 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.342 -3.075 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.767 -4.425 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.504 -4.046 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.371 -0.977 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.892 -2.519 1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.067 -2.404 3.639 1.00 0.00 H new ATOM 205 N ASN A 13 -4.005 -5.741 3.898 1.00 0.00 N ATOM 206 CA ASN A 13 -3.227 -6.963 4.040 1.00 0.00 C ATOM 207 C ASN A 13 -2.916 -7.611 2.690 1.00 0.00 C ATOM 208 O ASN A 13 -3.666 -7.457 1.727 1.00 0.00 O ATOM 209 CB ASN A 13 -3.992 -7.941 4.938 1.00 0.00 C ATOM 210 CG ASN A 13 -4.227 -7.368 6.328 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.308 -6.867 6.623 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.217 -7.439 7.194 1.00 0.00 N ATOM 0 H ASN A 13 -4.831 -5.832 3.306 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.270 -6.707 4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.950 -8.183 4.478 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.433 -8.873 5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.328 -7.070 8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.333 -7.863 6.913 1.00 0.00 H new ATOM 219 N ILE A 14 -1.794 -8.338 2.644 1.00 0.00 N ATOM 220 CA ILE A 14 -1.327 -9.038 1.456 1.00 0.00 C ATOM 221 C ILE A 14 -0.729 -10.375 1.895 1.00 0.00 C ATOM 222 O ILE A 14 0.007 -10.439 2.880 1.00 0.00 O ATOM 223 CB ILE A 14 -0.264 -8.201 0.732 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.852 -6.844 0.308 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.281 -8.967 -0.478 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.182 -5.958 -0.389 1.00 0.00 C ATOM 0 H ILE A 14 -1.179 -8.454 3.449 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.157 -9.203 0.769 1.00 0.00 H new ATOM 0 HB ILE A 14 0.564 -8.013 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.696 -7.009 -0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.238 -6.327 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.034 -8.362 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.731 -9.902 -0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.534 -9.183 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.280 -5.011 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.015 -5.769 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.549 -6.462 -1.283 1.00 0.00 H new ATOM 238 N GLY A 15 -1.050 -11.442 1.162 1.00 0.00 N ATOM 239 CA GLY A 15 -0.595 -12.779 1.492 1.00 0.00 C ATOM 240 C GLY A 15 -0.929 -13.118 2.943 1.00 0.00 C ATOM 241 O GLY A 15 -1.970 -12.713 3.457 1.00 0.00 O ATOM 0 H GLY A 15 -1.632 -11.396 0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.065 -13.503 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.481 -12.852 1.334 1.00 0.00 H new ATOM 245 N ASP A 16 -0.035 -13.857 3.600 1.00 0.00 N ATOM 246 CA ASP A 16 -0.162 -14.214 5.005 1.00 0.00 C ATOM 247 C ASP A 16 1.084 -13.780 5.781 1.00 0.00 C ATOM 248 O ASP A 16 1.302 -14.230 6.907 1.00 0.00 O ATOM 249 CB ASP A 16 -0.464 -15.706 5.143 1.00 0.00 C ATOM 250 CG ASP A 16 0.682 -16.585 4.642 1.00 0.00 C ATOM 251 OD1 ASP A 16 0.923 -16.586 3.416 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.310 -17.253 5.493 1.00 0.00 O ATOM 0 H ASP A 16 0.808 -14.228 3.161 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.003 -13.679 5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.664 -15.937 6.189 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.370 -15.943 4.585 1.00 0.00 H new ATOM 257 N ASP A 17 1.897 -12.909 5.177 1.00 0.00 N ATOM 258 CA ASP A 17 3.144 -12.433 5.763 1.00 0.00 C ATOM 259 C ASP A 17 3.329 -10.923 5.583 1.00 0.00 C ATOM 260 O ASP A 17 4.358 -10.399 6.002 1.00 0.00 O ATOM 261 CB ASP A 17 4.327 -13.168 5.131 1.00 0.00 C ATOM 262 CG ASP A 17 4.298 -14.667 5.409 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.531 -15.038 6.582 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.046 -15.427 4.450 1.00 0.00 O ATOM 0 H ASP A 17 1.702 -12.513 4.258 1.00 0.00 H new ATOM 0 HA ASP A 17 3.099 -12.638 6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.321 -13.001 4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.258 -12.749 5.513 1.00 0.00 H new ATOM 269 N ILE A 18 2.370 -10.211 4.978 1.00 0.00 N ATOM 270 CA ILE A 18 2.538 -8.784 4.730 1.00 0.00 C ATOM 271 C ILE A 18 1.299 -7.992 5.140 1.00 0.00 C ATOM 272 O ILE A 18 0.170 -8.471 5.030 1.00 0.00 O ATOM 273 CB ILE A 18 2.865 -8.529 3.247 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.094 -9.309 2.777 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.116 -7.036 3.009 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.665 -10.615 2.106 1.00 0.00 C ATOM 0 H ILE A 18 1.483 -10.598 4.657 1.00 0.00 H new ATOM 0 HA ILE A 18 3.372 -8.441 5.342 1.00 0.00 H new ATOM 0 HB ILE A 18 2.002 -8.870 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.672 -8.705 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.744 -9.524 3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.346 -6.869 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.225 -6.470 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.956 -6.706 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.548 -11.162 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.107 -11.223 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.034 -10.392 1.246 1.00 0.00 H new ATOM 288 N THR A 19 1.536 -6.768 5.612 1.00 0.00 N ATOM 289 CA THR A 19 0.501 -5.811 5.975 1.00 0.00 C ATOM 290 C THR A 19 0.966 -4.428 5.535 1.00 0.00 C ATOM 291 O THR A 19 2.167 -4.182 5.419 1.00 0.00 O ATOM 292 CB THR A 19 0.247 -5.876 7.489 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.199 -7.166 7.842 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.797 -4.868 7.955 1.00 0.00 C ATOM 0 H THR A 19 2.480 -6.409 5.755 1.00 0.00 H new ATOM 0 HA THR A 19 -0.442 -6.041 5.479 1.00 0.00 H new ATOM 0 HB THR A 19 1.193 -5.637 7.975 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.358 -7.204 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.935 -4.959 9.032 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.460 -3.859 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.743 -5.064 7.450 1.00 0.00 H new ATOM 302 N ILE A 20 0.016 -3.522 5.291 1.00 0.00 N ATOM 303 CA ILE A 20 0.282 -2.165 4.825 1.00 0.00 C ATOM 304 C ILE A 20 -0.532 -1.208 5.689 1.00 0.00 C ATOM 305 O ILE A 20 -1.602 -1.580 6.163 1.00 0.00 O ATOM 306 CB ILE A 20 -0.129 -2.042 3.351 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.592 -3.057 2.456 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.110 -0.620 2.833 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.090 -2.786 2.331 1.00 0.00 C ATOM 0 H ILE A 20 -0.977 -3.718 5.415 1.00 0.00 H new ATOM 0 HA ILE A 20 1.342 -1.926 4.905 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.195 -2.264 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.442 -4.059 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.142 -3.042 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.189 -0.559 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.478 0.085 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.168 -0.373 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.543 -3.538 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.246 -1.797 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.551 -2.829 3.318 1.00 0.00 H new ATOM 321 N THR A 21 -0.036 0.014 5.898 1.00 0.00 N ATOM 322 CA THR A 21 -0.708 0.971 6.772 1.00 0.00 C ATOM 323 C THR A 21 -0.585 2.381 6.214 1.00 0.00 C ATOM 324 O THR A 21 0.430 2.736 5.618 1.00 0.00 O ATOM 325 CB THR A 21 -0.080 0.900 8.171 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.088 -0.432 8.637 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.836 1.756 9.185 1.00 0.00 C ATOM 0 H THR A 21 0.825 0.360 5.475 1.00 0.00 H new ATOM 0 HA THR A 21 -1.767 0.720 6.832 1.00 0.00 H new ATOM 0 HB THR A 21 0.938 1.277 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.315 -0.469 9.529 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.356 1.674 10.160 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.826 2.797 8.862 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.867 1.408 9.258 1.00 0.00 H new ATOM 335 N ILE A 22 -1.629 3.189 6.411 1.00 0.00 N ATOM 336 CA ILE A 22 -1.667 4.578 5.977 1.00 0.00 C ATOM 337 C ILE A 22 -1.432 5.459 7.207 1.00 0.00 C ATOM 338 O ILE A 22 -2.370 5.841 7.906 1.00 0.00 O ATOM 339 CB ILE A 22 -2.984 4.862 5.225 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.242 6.352 5.004 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.206 4.290 5.945 1.00 0.00 C ATOM 342 CD1 ILE A 22 -2.054 7.039 4.354 1.00 0.00 C ATOM 0 H ILE A 22 -2.481 2.888 6.884 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.879 4.806 5.259 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.849 4.369 4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.124 6.479 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.460 6.829 5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.105 4.518 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.100 3.209 6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.285 4.734 6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.277 8.097 4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.178 6.935 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.853 6.579 3.386 1.00 0.00 H new ATOM 354 N LEU A 23 -0.161 5.778 7.471 1.00 0.00 N ATOM 355 CA LEU A 23 0.224 6.489 8.684 1.00 0.00 C ATOM 356 C LEU A 23 -0.330 7.915 8.680 1.00 0.00 C ATOM 357 O LEU A 23 -0.560 8.485 9.745 1.00 0.00 O ATOM 358 CB LEU A 23 1.753 6.499 8.866 1.00 0.00 C ATOM 359 CG LEU A 23 2.484 5.302 8.249 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.990 5.505 8.392 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.095 3.992 8.931 1.00 0.00 C ATOM 0 H LEU A 23 0.619 5.551 6.854 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.209 5.956 9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.150 7.414 8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.977 6.533 9.932 1.00 0.00 H new ATOM 0 HG LEU A 23 2.200 5.239 7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.515 4.656 7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.285 6.419 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.248 5.586 9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.633 3.166 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.351 4.043 9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.022 3.831 8.825 1.00 0.00 H new ATOM 373 N GLY A 24 -0.548 8.493 7.491 1.00 0.00 N ATOM 374 CA GLY A 24 -1.185 9.799 7.365 1.00 0.00 C ATOM 375 C GLY A 24 -0.932 10.417 5.991 1.00 0.00 C ATOM 376 O GLY A 24 -0.456 9.743 5.085 1.00 0.00 O ATOM 0 H GLY A 24 -0.288 8.068 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.258 9.698 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.806 10.466 8.140 1.00 0.00 H new ATOM 380 N VAL A 25 -1.247 11.705 5.835 1.00 0.00 N ATOM 381 CA VAL A 25 -0.961 12.438 4.610 1.00 0.00 C ATOM 382 C VAL A 25 -0.216 13.730 4.931 1.00 0.00 C ATOM 383 O VAL A 25 -0.098 14.110 6.094 1.00 0.00 O ATOM 384 CB VAL A 25 -2.236 12.712 3.797 1.00 0.00 C ATOM 385 CG1 VAL A 25 -3.125 11.469 3.701 1.00 0.00 C ATOM 386 CG2 VAL A 25 -3.045 13.865 4.394 1.00 0.00 C ATOM 0 H VAL A 25 -1.706 12.263 6.555 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.319 11.816 3.986 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.909 12.989 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.016 11.703 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.574 10.664 3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.418 11.153 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.940 14.031 3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.334 13.616 5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.438 14.771 4.399 1.00 0.00 H new ATOM 396 N SER A 26 0.284 14.401 3.891 1.00 0.00 N ATOM 397 CA SER A 26 1.064 15.623 4.031 1.00 0.00 C ATOM 398 C SER A 26 0.734 16.587 2.895 1.00 0.00 C ATOM 399 O SER A 26 1.625 17.124 2.238 1.00 0.00 O ATOM 400 CB SER A 26 2.553 15.286 4.034 1.00 0.00 C ATOM 401 OG SER A 26 2.877 14.473 5.143 1.00 0.00 O ATOM 0 H SER A 26 0.156 14.106 2.923 1.00 0.00 H new ATOM 0 HA SER A 26 0.812 16.105 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.817 14.772 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.139 16.204 4.066 1.00 0.00 H new ATOM 0 HG SER A 26 3.835 14.266 5.128 1.00 0.00 H new ATOM 407 N GLY A 27 -0.562 16.802 2.663 1.00 0.00 N ATOM 408 CA GLY A 27 -1.053 17.629 1.573 1.00 0.00 C ATOM 409 C GLY A 27 -1.616 16.704 0.504 1.00 0.00 C ATOM 410 O GLY A 27 -2.723 16.189 0.657 1.00 0.00 O ATOM 0 H GLY A 27 -1.304 16.400 3.236 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.823 18.313 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.248 18.240 1.164 1.00 0.00 H new ATOM 414 N GLN A 28 -0.860 16.496 -0.577 1.00 0.00 N ATOM 415 CA GLN A 28 -1.200 15.507 -1.590 1.00 0.00 C ATOM 416 C GLN A 28 -0.152 14.394 -1.589 1.00 0.00 C ATOM 417 O GLN A 28 -0.202 13.474 -2.407 1.00 0.00 O ATOM 418 CB GLN A 28 -1.367 16.170 -2.961 1.00 0.00 C ATOM 419 CG GLN A 28 -2.675 15.708 -3.614 1.00 0.00 C ATOM 420 CD GLN A 28 -3.885 16.227 -2.847 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.409 15.432 -1.922 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.341 17.343 -3.087 1.00 0.00 N flip ATOM 0 H GLN A 28 0.001 17.009 -0.770 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.162 15.051 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.370 17.254 -2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.522 15.916 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.715 16.061 -4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.703 14.619 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.911 17.926 -3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.149 17.686 -2.568 1.00 0.00 H new ATOM 431 N GLN A 29 0.797 14.492 -0.653 1.00 0.00 N ATOM 432 CA GLN A 29 1.701 13.408 -0.332 1.00 0.00 C ATOM 433 C GLN A 29 1.010 12.491 0.671 1.00 0.00 C ATOM 434 O GLN A 29 0.030 12.886 1.304 1.00 0.00 O ATOM 435 CB GLN A 29 2.992 13.935 0.291 1.00 0.00 C ATOM 436 CG GLN A 29 3.953 14.462 -0.773 1.00 0.00 C ATOM 437 CD GLN A 29 5.357 14.624 -0.209 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.547 14.730 1.001 1.00 0.00 O ATOM 439 NE2 GLN A 29 6.362 14.641 -1.073 1.00 0.00 N ATOM 0 H GLN A 29 0.952 15.335 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 29 1.953 12.874 -1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.758 14.731 0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.475 13.139 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.975 13.776 -1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.595 15.421 -1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.177 14.551 -2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.320 14.744 -0.739 1.00 0.00 H new ATOM 448 N VAL A 30 1.521 11.269 0.820 1.00 0.00 N ATOM 449 CA VAL A 30 0.921 10.279 1.700 1.00 0.00 C ATOM 450 C VAL A 30 2.010 9.483 2.412 1.00 0.00 C ATOM 451 O VAL A 30 2.931 8.969 1.774 1.00 0.00 O ATOM 452 CB VAL A 30 0.010 9.359 0.877 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.781 8.428 1.790 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.031 10.165 0.100 1.00 0.00 C ATOM 0 H VAL A 30 2.357 10.943 0.335 1.00 0.00 H new ATOM 0 HA VAL A 30 0.320 10.776 2.461 1.00 0.00 H new ATOM 0 HB VAL A 30 0.662 8.803 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.421 7.784 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.091 7.814 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.397 9.020 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.662 9.487 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.648 10.731 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.526 10.853 -0.579 1.00 0.00 H new ATOM 464 N ARG A 31 1.896 9.388 3.742 1.00 0.00 N ATOM 465 CA ARG A 31 2.805 8.638 4.597 1.00 0.00 C ATOM 466 C ARG A 31 2.282 7.211 4.691 1.00 0.00 C ATOM 467 O ARG A 31 1.167 7.002 5.161 1.00 0.00 O ATOM 468 CB ARG A 31 2.793 9.246 6.005 1.00 0.00 C ATOM 469 CG ARG A 31 3.250 10.705 6.076 1.00 0.00 C ATOM 470 CD ARG A 31 4.711 10.854 5.663 1.00 0.00 C ATOM 471 NE ARG A 31 5.611 9.980 6.428 1.00 0.00 N ATOM 472 CZ ARG A 31 5.794 10.012 7.752 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.179 10.906 8.521 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.607 9.130 8.323 1.00 0.00 N ATOM 0 H ARG A 31 1.146 9.845 4.261 1.00 0.00 H new ATOM 0 HA ARG A 31 3.816 8.665 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.782 9.176 6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.435 8.647 6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.623 11.316 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.118 11.080 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.808 10.628 4.601 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.018 11.891 5.798 1.00 0.00 H new ATOM 0 HE ARG A 31 6.144 9.287 5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.549 11.591 8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.337 10.907 9.529 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.087 8.434 7.752 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.751 9.149 9.333 1.00 0.00 H new ATOM 488 N ILE A 32 3.071 6.229 4.252 1.00 0.00 N ATOM 489 CA ILE A 32 2.609 4.846 4.193 1.00 0.00 C ATOM 490 C ILE A 32 3.682 3.916 4.733 1.00 0.00 C ATOM 491 O ILE A 32 4.868 4.096 4.464 1.00 0.00 O ATOM 492 CB ILE A 32 2.242 4.504 2.741 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.078 5.403 2.298 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.847 3.025 2.607 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.684 5.194 0.840 1.00 0.00 C ATOM 0 H ILE A 32 4.030 6.368 3.933 1.00 0.00 H new ATOM 0 HA ILE A 32 1.722 4.718 4.814 1.00 0.00 H new ATOM 0 HB ILE A 32 3.110 4.677 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.214 5.208 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.355 6.447 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.592 2.809 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.683 2.396 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.986 2.819 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.143 5.858 0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.536 5.416 0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.377 4.159 0.691 1.00 0.00 H new ATOM 507 N GLY A 33 3.252 2.913 5.501 1.00 0.00 N ATOM 508 CA GLY A 33 4.146 1.960 6.130 1.00 0.00 C ATOM 509 C GLY A 33 3.895 0.561 5.589 1.00 0.00 C ATOM 510 O GLY A 33 2.834 0.281 5.034 1.00 0.00 O ATOM 0 H GLY A 33 2.266 2.745 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.181 2.247 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.998 1.971 7.210 1.00 0.00 H new ATOM 514 N ILE A 34 4.885 -0.315 5.758 1.00 0.00 N ATOM 515 CA ILE A 34 4.856 -1.676 5.262 1.00 0.00 C ATOM 516 C ILE A 34 5.349 -2.571 6.385 1.00 0.00 C ATOM 517 O ILE A 34 6.199 -2.172 7.180 1.00 0.00 O ATOM 518 CB ILE A 34 5.732 -1.793 4.008 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.236 -0.810 2.942 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.701 -3.222 3.460 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.154 -0.770 1.720 1.00 0.00 C ATOM 0 H ILE A 34 5.745 -0.086 6.256 1.00 0.00 H new ATOM 0 HA ILE A 34 3.849 -1.977 4.971 1.00 0.00 H new ATOM 0 HB ILE A 34 6.761 -1.550 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.231 -1.092 2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.167 0.188 3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.328 -3.284 2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.076 -3.910 4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.677 -3.490 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.761 -0.059 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.154 -0.461 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.203 -1.761 1.269 1.00 0.00 H new ATOM 533 N ASN A 35 4.818 -3.787 6.452 1.00 0.00 N ATOM 534 CA ASN A 35 5.123 -4.693 7.541 1.00 0.00 C ATOM 535 C ASN A 35 5.256 -6.103 6.993 1.00 0.00 C ATOM 536 O ASN A 35 4.272 -6.831 6.868 1.00 0.00 O ATOM 537 CB ASN A 35 4.028 -4.590 8.607 1.00 0.00 C ATOM 538 CG ASN A 35 4.357 -5.409 9.845 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.483 -5.873 10.017 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.376 -5.590 10.724 1.00 0.00 N ATOM 0 H ASN A 35 4.172 -4.165 5.759 1.00 0.00 H new ATOM 0 HA ASN A 35 6.069 -4.426 8.011 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.894 -3.546 8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.081 -4.931 8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.545 -6.128 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.454 -5.190 10.549 1.00 0.00 H new ATOM 547 N ALA A 36 6.496 -6.473 6.669 1.00 0.00 N ATOM 548 CA ALA A 36 6.810 -7.776 6.112 1.00 0.00 C ATOM 549 C ALA A 36 8.136 -8.288 6.660 1.00 0.00 C ATOM 550 O ALA A 36 8.978 -7.498 7.094 1.00 0.00 O ATOM 551 CB ALA A 36 6.905 -7.649 4.595 1.00 0.00 C ATOM 0 H ALA A 36 7.310 -5.870 6.789 1.00 0.00 H new ATOM 0 HA ALA A 36 6.026 -8.482 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.141 -8.621 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.952 -7.297 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.690 -6.938 4.338 1.00 0.00 H new ATOM 557 N PRO A 37 8.338 -9.613 6.640 1.00 0.00 N ATOM 558 CA PRO A 37 9.603 -10.245 6.966 1.00 0.00 C ATOM 559 C PRO A 37 10.651 -9.947 5.905 1.00 0.00 C ATOM 560 O PRO A 37 10.325 -9.613 4.770 1.00 0.00 O ATOM 561 CB PRO A 37 9.304 -11.743 6.986 1.00 0.00 C ATOM 562 CG PRO A 37 8.078 -11.904 6.096 1.00 0.00 C ATOM 563 CD PRO A 37 7.327 -10.598 6.301 1.00 0.00 C ATOM 0 HA PRO A 37 9.998 -9.881 7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.147 -12.320 6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.107 -12.094 7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.355 -12.050 5.052 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.477 -12.765 6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.787 -10.311 5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.589 -10.692 7.098 1.00 0.00 H new ATOM 571 N LYS A 38 11.925 -10.074 6.280 1.00 0.00 N ATOM 572 CA LYS A 38 13.021 -9.972 5.327 1.00 0.00 C ATOM 573 C LYS A 38 12.966 -11.125 4.326 1.00 0.00 C ATOM 574 O LYS A 38 13.791 -11.201 3.414 1.00 0.00 O ATOM 575 CB LYS A 38 14.355 -9.965 6.076 1.00 0.00 C ATOM 576 CG LYS A 38 14.560 -8.700 6.917 1.00 0.00 C ATOM 577 CD LYS A 38 14.437 -7.439 6.062 1.00 0.00 C ATOM 578 CE LYS A 38 15.203 -6.288 6.706 1.00 0.00 C ATOM 579 NZ LYS A 38 16.661 -6.487 6.632 1.00 0.00 N ATOM 0 H LYS A 38 12.219 -10.248 7.241 1.00 0.00 H new ATOM 0 HA LYS A 38 12.926 -9.039 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.406 -10.839 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.170 -10.054 5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.823 -8.671 7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.543 -8.729 7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.826 -7.630 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.387 -7.168 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.939 -5.354 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.903 -6.191 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.140 -5.566 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.970 -7.089 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.903 -6.947 5.731 1.00 0.00 H new ATOM 593 N ASP A 39 11.988 -12.018 4.502 1.00 0.00 N ATOM 594 CA ASP A 39 11.704 -13.118 3.597 1.00 0.00 C ATOM 595 C ASP A 39 11.199 -12.585 2.253 1.00 0.00 C ATOM 596 O ASP A 39 11.099 -13.335 1.284 1.00 0.00 O ATOM 597 CB ASP A 39 10.626 -13.986 4.244 1.00 0.00 C ATOM 598 CG ASP A 39 10.604 -15.394 3.653 1.00 0.00 C ATOM 599 OD1 ASP A 39 11.645 -16.082 3.760 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.547 -15.771 3.103 1.00 0.00 O ATOM 0 H ASP A 39 11.358 -11.988 5.304 1.00 0.00 H new ATOM 0 HA ASP A 39 12.609 -13.697 3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.802 -14.045 5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.651 -13.518 4.106 1.00 0.00 H new ATOM 605 N VAL A 40 10.878 -11.286 2.206 1.00 0.00 N ATOM 606 CA VAL A 40 10.366 -10.629 1.014 1.00 0.00 C ATOM 607 C VAL A 40 11.015 -9.253 0.882 1.00 0.00 C ATOM 608 O VAL A 40 11.537 -8.706 1.854 1.00 0.00 O ATOM 609 CB VAL A 40 8.834 -10.512 1.071 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.188 -11.835 1.490 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.386 -9.442 2.057 1.00 0.00 C ATOM 0 H VAL A 40 10.970 -10.662 3.007 1.00 0.00 H new ATOM 0 HA VAL A 40 10.616 -11.227 0.137 1.00 0.00 H new ATOM 0 HB VAL A 40 8.515 -10.242 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.105 -11.717 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.449 -12.611 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.550 -12.120 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.297 -9.390 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.748 -9.692 3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.792 -8.476 1.755 1.00 0.00 H new ATOM 621 N ALA A 41 10.977 -8.694 -0.326 1.00 0.00 N ATOM 622 CA ALA A 41 11.600 -7.414 -0.613 1.00 0.00 C ATOM 623 C ALA A 41 10.535 -6.339 -0.795 1.00 0.00 C ATOM 624 O ALA A 41 9.456 -6.627 -1.306 1.00 0.00 O ATOM 625 CB ALA A 41 12.421 -7.571 -1.896 1.00 0.00 C ATOM 0 H ALA A 41 10.513 -9.119 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 41 12.243 -7.111 0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.902 -6.624 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.182 -8.338 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.764 -7.864 -2.715 1.00 0.00 H new ATOM 631 N VAL A 42 10.832 -5.103 -0.380 1.00 0.00 N ATOM 632 CA VAL A 42 9.925 -3.980 -0.588 1.00 0.00 C ATOM 633 C VAL A 42 10.736 -2.720 -0.885 1.00 0.00 C ATOM 634 O VAL A 42 11.615 -2.346 -0.112 1.00 0.00 O ATOM 635 CB VAL A 42 9.003 -3.775 0.631 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.127 -5.008 0.859 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.762 -3.501 1.928 1.00 0.00 C ATOM 0 H VAL A 42 11.697 -4.859 0.103 1.00 0.00 H new ATOM 0 HA VAL A 42 9.283 -4.197 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 42 8.401 -2.899 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.484 -4.843 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.511 -5.185 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.761 -5.876 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.052 -3.367 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.416 -4.344 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.360 -2.597 1.815 1.00 0.00 H new ATOM 647 N HIS A 43 10.445 -2.055 -2.008 1.00 0.00 N ATOM 648 CA HIS A 43 11.170 -0.848 -2.381 1.00 0.00 C ATOM 649 C HIS A 43 10.351 0.041 -3.312 1.00 0.00 C ATOM 650 O HIS A 43 9.340 -0.384 -3.867 1.00 0.00 O ATOM 651 CB HIS A 43 12.470 -1.194 -3.112 1.00 0.00 C ATOM 652 CG HIS A 43 13.245 -2.360 -2.558 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.299 -2.268 -1.651 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.033 -3.674 -2.868 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.700 -3.533 -1.437 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.962 -4.392 -2.155 1.00 0.00 N ATOM 0 H HIS A 43 9.717 -2.334 -2.666 1.00 0.00 H new ATOM 0 HA HIS A 43 11.378 -0.320 -1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.233 -1.403 -4.155 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.115 -0.316 -3.101 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.685 -1.420 -1.237 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.285 -4.069 -3.539 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.506 -3.818 -0.777 1.00 0.00 H new ATOM 664 N ARG A 44 10.807 1.285 -3.475 1.00 0.00 N ATOM 665 CA ARG A 44 10.246 2.213 -4.446 1.00 0.00 C ATOM 666 C ARG A 44 10.621 1.736 -5.845 1.00 0.00 C ATOM 667 O ARG A 44 11.605 1.012 -6.005 1.00 0.00 O ATOM 668 CB ARG A 44 10.816 3.609 -4.154 1.00 0.00 C ATOM 669 CG ARG A 44 10.090 4.728 -4.905 1.00 0.00 C ATOM 670 CD ARG A 44 10.703 6.075 -4.519 1.00 0.00 C ATOM 671 NE ARG A 44 9.932 7.194 -5.070 1.00 0.00 N ATOM 672 CZ ARG A 44 10.320 8.471 -5.035 1.00 0.00 C ATOM 673 NH1 ARG A 44 11.483 8.825 -4.490 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.539 9.415 -5.552 1.00 0.00 N ATOM 0 H ARG A 44 11.579 1.674 -2.933 1.00 0.00 H new ATOM 0 HA ARG A 44 9.159 2.258 -4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.756 3.802 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.872 3.626 -4.423 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.172 4.573 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.028 4.716 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.744 6.160 -3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.730 6.126 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 44 9.037 6.982 -5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.096 8.115 -4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.761 9.806 -4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.645 9.163 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.834 10.391 -5.526 1.00 0.00 H new ATOM 688 N GLU A 45 9.852 2.134 -6.860 1.00 0.00 N ATOM 689 CA GLU A 45 10.109 1.737 -8.240 1.00 0.00 C ATOM 690 C GLU A 45 11.530 2.083 -8.688 1.00 0.00 C ATOM 691 O GLU A 45 12.046 1.450 -9.606 1.00 0.00 O ATOM 692 CB GLU A 45 9.106 2.445 -9.155 1.00 0.00 C ATOM 693 CG GLU A 45 7.726 1.780 -9.122 1.00 0.00 C ATOM 694 CD GLU A 45 7.674 0.475 -9.925 1.00 0.00 C ATOM 695 OE1 GLU A 45 8.712 0.100 -10.515 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.586 -0.144 -9.946 1.00 0.00 O ATOM 0 H GLU A 45 9.038 2.738 -6.747 1.00 0.00 H new ATOM 0 HA GLU A 45 9.999 0.654 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.013 3.488 -8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.484 2.443 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.451 1.575 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.984 2.474 -9.517 1.00 0.00 H new ATOM 703 N GLU A 46 12.172 3.072 -8.059 1.00 0.00 N ATOM 704 CA GLU A 46 13.511 3.481 -8.462 1.00 0.00 C ATOM 705 C GLU A 46 14.588 2.547 -7.906 1.00 0.00 C ATOM 706 O GLU A 46 15.650 2.406 -8.512 1.00 0.00 O ATOM 707 CB GLU A 46 13.752 4.925 -8.004 1.00 0.00 C ATOM 708 CG GLU A 46 15.060 5.474 -8.574 1.00 0.00 C ATOM 709 CD GLU A 46 15.237 6.946 -8.216 1.00 0.00 C ATOM 710 OE1 GLU A 46 14.606 7.790 -8.896 1.00 0.00 O ATOM 711 OE2 GLU A 46 15.999 7.224 -7.265 1.00 0.00 O ATOM 0 H GLU A 46 11.786 3.598 -7.275 1.00 0.00 H new ATOM 0 HA GLU A 46 13.578 3.423 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.921 5.554 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.782 4.964 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.900 4.898 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.066 5.356 -9.658 1.00 0.00 H new ATOM 718 N ILE A 47 14.336 1.900 -6.761 1.00 0.00 N ATOM 719 CA ILE A 47 15.267 0.947 -6.179 1.00 0.00 C ATOM 720 C ILE A 47 14.942 -0.428 -6.745 1.00 0.00 C ATOM 721 O ILE A 47 15.835 -1.250 -6.948 1.00 0.00 O ATOM 722 CB ILE A 47 15.093 0.918 -4.652 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.756 2.105 -3.946 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.730 -0.336 -4.050 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.198 3.454 -4.389 1.00 0.00 C ATOM 0 H ILE A 47 13.481 2.028 -6.219 1.00 0.00 H new ATOM 0 HA ILE A 47 16.293 1.230 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 47 14.015 0.947 -4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.623 2.000 -2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.829 2.081 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.592 -0.331 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.257 -1.223 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.795 -0.349 -4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.709 4.253 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.355 3.578 -5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.131 3.496 -4.171 1.00 0.00 H new ATOM 737 N TYR A 48 13.653 -0.666 -6.997 1.00 0.00 N ATOM 738 CA TYR A 48 13.151 -1.940 -7.455 1.00 0.00 C ATOM 739 C TYR A 48 13.806 -2.393 -8.759 1.00 0.00 C ATOM 740 O TYR A 48 13.972 -3.590 -8.995 1.00 0.00 O ATOM 741 CB TYR A 48 11.650 -1.829 -7.654 1.00 0.00 C ATOM 742 CG TYR A 48 11.062 -3.117 -8.163 1.00 0.00 C ATOM 743 CD1 TYR A 48 10.799 -4.168 -7.274 1.00 0.00 C ATOM 744 CD2 TYR A 48 10.792 -3.252 -9.526 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.260 -5.369 -7.757 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.265 -4.447 -10.021 1.00 0.00 C ATOM 747 CZ TYR A 48 9.981 -5.511 -9.135 1.00 0.00 C ATOM 748 OH TYR A 48 9.445 -6.672 -9.612 1.00 0.00 O ATOM 0 H TYR A 48 12.926 0.040 -6.883 1.00 0.00 H new ATOM 0 HA TYR A 48 13.392 -2.687 -6.699 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.176 -1.560 -6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.434 -1.026 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.011 -4.053 -6.221 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.991 -2.431 -10.199 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.059 -6.184 -7.077 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.075 -4.558 -11.078 1.00 0.00 H new ATOM 0 HH TYR A 48 9.316 -6.599 -10.581 1.00 0.00 H new ATOM 1605 N MET C 1 8.565 -2.491 10.614 1.00 0.00 N ATOM 1606 CA MET C 1 7.922 -1.529 9.699 1.00 0.00 C ATOM 1607 C MET C 1 8.940 -0.933 8.739 1.00 0.00 C ATOM 1608 O MET C 1 10.079 -0.692 9.124 1.00 0.00 O ATOM 1609 CB MET C 1 7.265 -0.393 10.482 1.00 0.00 C ATOM 1610 CG MET C 1 6.337 0.435 9.587 1.00 0.00 C ATOM 1611 SD MET C 1 4.708 -0.283 9.320 1.00 0.00 S ATOM 1612 CE MET C 1 4.025 0.250 10.901 1.00 0.00 C ATOM 0 H1 MET C 1 8.217 -2.335 11.582 1.00 0.00 H new ATOM 0 H2 MET C 1 8.336 -3.461 10.315 1.00 0.00 H new ATOM 0 H3 MET C 1 9.596 -2.356 10.591 1.00 0.00 H new ATOM 0 HA MET C 1 7.163 -2.072 9.136 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.697 -0.804 11.317 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.035 0.252 10.907 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.215 1.423 10.030 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.819 0.577 8.620 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.506 -0.584 11.373 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.832 0.590 11.550 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.323 1.067 10.737 1.00 0.00 H new ATOM 1624 N LEU C 2 8.529 -0.691 7.495 1.00 0.00 N ATOM 1625 CA LEU C 2 9.342 -0.010 6.501 1.00 0.00 C ATOM 1626 C LEU C 2 8.454 1.060 5.881 1.00 0.00 C ATOM 1627 O LEU C 2 7.461 0.741 5.232 1.00 0.00 O ATOM 1628 CB LEU C 2 9.865 -1.051 5.505 1.00 0.00 C ATOM 1629 CG LEU C 2 10.761 -0.502 4.385 1.00 0.00 C ATOM 1630 CD1 LEU C 2 9.920 0.001 3.215 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.683 0.615 4.858 1.00 0.00 C ATOM 0 H LEU C 2 7.610 -0.968 7.150 1.00 0.00 H new ATOM 0 HA LEU C 2 10.225 0.480 6.912 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.424 -1.807 6.056 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.012 -1.554 5.050 1.00 0.00 H new ATOM 0 HG LEU C 2 11.386 -1.335 4.063 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.576 0.385 2.434 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.323 -0.820 2.817 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.259 0.797 3.558 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.291 0.963 4.023 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.086 1.442 5.241 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.333 0.240 5.649 1.00 0.00 H new ATOM 1643 N ILE C 3 8.807 2.332 6.084 1.00 0.00 N ATOM 1644 CA ILE C 3 7.954 3.452 5.709 1.00 0.00 C ATOM 1645 C ILE C 3 8.510 4.157 4.483 1.00 0.00 C ATOM 1646 O ILE C 3 9.715 4.153 4.235 1.00 0.00 O ATOM 1647 CB ILE C 3 7.832 4.439 6.879 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.173 3.795 8.096 1.00 0.00 C ATOM 1649 CG2 ILE C 3 6.966 5.647 6.503 1.00 0.00 C ATOM 1650 CD1 ILE C 3 8.181 3.056 8.969 1.00 0.00 C ATOM 0 H ILE C 3 9.690 2.609 6.512 1.00 0.00 H new ATOM 0 HA ILE C 3 6.963 3.068 5.467 1.00 0.00 H new ATOM 0 HB ILE C 3 8.851 4.747 7.112 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.676 4.564 8.688 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.402 3.099 7.765 1.00 0.00 H new ATOM 0 HG21 ILE C 3 6.900 6.326 7.353 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.415 6.167 5.657 1.00 0.00 H new ATOM 0 HG23 ILE C 3 5.966 5.308 6.231 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.668 2.614 9.823 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.659 2.269 8.386 1.00 0.00 H new ATOM 0 HD13 ILE C 3 8.938 3.756 9.323 1.00 0.00 H new ATOM 1662 N LEU C 4 7.596 4.763 3.729 1.00 0.00 N ATOM 1663 CA LEU C 4 7.888 5.540 2.545 1.00 0.00 C ATOM 1664 C LEU C 4 6.912 6.708 2.500 1.00 0.00 C ATOM 1665 O LEU C 4 5.835 6.650 3.091 1.00 0.00 O ATOM 1666 CB LEU C 4 7.708 4.667 1.301 1.00 0.00 C ATOM 1667 CG LEU C 4 8.690 3.494 1.231 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.370 2.661 -0.005 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.133 3.976 1.098 1.00 0.00 C ATOM 0 H LEU C 4 6.599 4.720 3.940 1.00 0.00 H new ATOM 0 HA LEU C 4 8.915 5.904 2.570 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.689 4.279 1.283 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.829 5.286 0.412 1.00 0.00 H new ATOM 0 HG LEU C 4 8.589 2.917 2.150 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.062 1.821 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.349 2.285 0.064 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.469 3.280 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.801 3.116 1.051 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.237 4.566 0.188 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.392 4.590 1.960 1.00 0.00 H new ATOM 1681 N THR C 5 7.288 7.773 1.797 1.00 0.00 N ATOM 1682 CA THR C 5 6.395 8.899 1.583 1.00 0.00 C ATOM 1683 C THR C 5 6.356 9.178 0.094 1.00 0.00 C ATOM 1684 O THR C 5 7.392 9.255 -0.563 1.00 0.00 O ATOM 1685 CB THR C 5 6.832 10.126 2.380 1.00 0.00 C ATOM 1686 OG1 THR C 5 6.959 9.791 3.742 1.00 0.00 O ATOM 1687 CG2 THR C 5 5.786 11.233 2.256 1.00 0.00 C ATOM 0 H THR C 5 8.207 7.876 1.367 1.00 0.00 H new ATOM 0 HA THR C 5 5.395 8.656 1.941 1.00 0.00 H new ATOM 0 HB THR C 5 7.788 10.470 1.985 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.241 10.581 4.248 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.108 12.103 2.828 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.672 11.510 1.208 1.00 0.00 H new ATOM 0 HG23 THR C 5 4.831 10.877 2.643 1.00 0.00 H new ATOM 1695 N ARG C 6 5.140 9.327 -0.426 1.00 0.00 N ATOM 1696 CA ARG C 6 4.896 9.413 -1.856 1.00 0.00 C ATOM 1697 C ARG C 6 3.812 10.439 -2.117 1.00 0.00 C ATOM 1698 O ARG C 6 3.382 11.120 -1.188 1.00 0.00 O ATOM 1699 CB ARG C 6 4.454 8.047 -2.382 1.00 0.00 C ATOM 1700 CG ARG C 6 5.282 6.920 -1.777 1.00 0.00 C ATOM 1701 CD ARG C 6 4.984 5.622 -2.509 1.00 0.00 C ATOM 1702 NE ARG C 6 3.547 5.346 -2.614 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.878 4.469 -1.862 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.468 3.833 -0.854 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.601 4.215 -2.123 1.00 0.00 N ATOM 0 H ARG C 6 4.294 9.391 0.140 1.00 0.00 H new ATOM 0 HA ARG C 6 5.810 9.714 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.400 7.890 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.548 8.026 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.344 7.155 -1.850 1.00 0.00 H new ATOM 0 HG3 ARG C 6 5.051 6.813 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.415 5.667 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.471 4.797 -1.989 1.00 0.00 H new ATOM 0 HE ARG C 6 3.018 5.864 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.450 4.012 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.939 3.167 -0.292 1.00 0.00 H new ATOM 0 HH21 ARG C 6 1.134 4.689 -2.896 1.00 0.00 H new ATOM 0 HH22 ARG C 6 1.087 3.545 -1.550 1.00 0.00 H new ATOM 1719 N LYS C 7 3.369 10.547 -3.368 1.00 0.00 N ATOM 1720 CA LYS C 7 2.260 11.425 -3.713 1.00 0.00 C ATOM 1721 C LYS C 7 1.285 10.710 -4.630 1.00 0.00 C ATOM 1722 O LYS C 7 1.583 9.636 -5.146 1.00 0.00 O ATOM 1723 CB LYS C 7 2.766 12.719 -4.343 1.00 0.00 C ATOM 1724 CG LYS C 7 3.304 12.514 -5.758 1.00 0.00 C ATOM 1725 CD LYS C 7 3.794 13.858 -6.282 1.00 0.00 C ATOM 1726 CE LYS C 7 4.477 13.664 -7.634 1.00 0.00 C ATOM 1727 NZ LYS C 7 5.177 14.893 -8.054 1.00 0.00 N ATOM 0 H LYS C 7 3.763 10.036 -4.158 1.00 0.00 H new ATOM 0 HA LYS C 7 1.731 11.690 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS C 7 1.955 13.447 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.553 13.140 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.118 11.789 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.524 12.115 -6.407 1.00 0.00 H new ATOM 0 HD2 LYS C 7 2.956 14.548 -6.382 1.00 0.00 H new ATOM 0 HD3 LYS C 7 4.491 14.304 -5.572 1.00 0.00 H new ATOM 0 HE2 LYS C 7 5.188 12.840 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS C 7 3.735 13.389 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.633 14.735 -8.975 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.493 15.672 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 5.900 15.139 -7.348 1.00 0.00 H new ATOM 1741 N VAL C 8 0.114 11.312 -4.825 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.916 10.655 -5.610 1.00 0.00 C ATOM 1743 C VAL C 8 -0.433 10.414 -7.035 1.00 0.00 C ATOM 1744 O VAL C 8 -0.076 11.344 -7.757 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.246 11.410 -5.544 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.651 11.482 -4.072 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.219 12.828 -6.105 1.00 0.00 C ATOM 0 H VAL C 8 -0.137 12.230 -4.459 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.112 9.676 -5.173 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.950 10.862 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.598 12.015 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.763 10.473 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.882 12.010 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.209 13.275 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.497 13.426 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.933 12.798 -7.156 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.428 9.139 -7.425 1.00 0.00 N ATOM 1758 CA GLY C 9 0.001 8.693 -8.742 1.00 0.00 C ATOM 1759 C GLY C 9 1.269 7.838 -8.695 1.00 0.00 C ATOM 1760 O GLY C 9 1.565 7.151 -9.672 1.00 0.00 O ATOM 0 H GLY C 9 -0.729 8.376 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.802 8.119 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.178 9.562 -9.375 1.00 0.00 H new ATOM 1764 N GLU C 10 2.016 7.861 -7.586 1.00 0.00 N ATOM 1765 CA GLU C 10 3.236 7.065 -7.465 1.00 0.00 C ATOM 1766 C GLU C 10 2.928 5.581 -7.254 1.00 0.00 C ATOM 1767 O GLU C 10 1.782 5.205 -7.006 1.00 0.00 O ATOM 1768 CB GLU C 10 4.106 7.578 -6.313 1.00 0.00 C ATOM 1769 CG GLU C 10 4.594 9.004 -6.559 1.00 0.00 C ATOM 1770 CD GLU C 10 5.905 9.257 -5.819 1.00 0.00 C ATOM 1771 OE1 GLU C 10 6.940 8.723 -6.280 1.00 0.00 O ATOM 1772 OE2 GLU C 10 5.863 9.978 -4.800 1.00 0.00 O ATOM 0 H GLU C 10 1.796 8.422 -6.763 1.00 0.00 H new ATOM 0 HA GLU C 10 3.780 7.170 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.536 7.545 -5.385 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.964 6.918 -6.184 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.736 9.167 -7.627 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.839 9.716 -6.226 1.00 0.00 H new ATOM 1779 N SER C 11 3.964 4.739 -7.349 1.00 0.00 N ATOM 1780 CA SER C 11 3.839 3.294 -7.192 1.00 0.00 C ATOM 1781 C SER C 11 5.030 2.730 -6.420 1.00 0.00 C ATOM 1782 O SER C 11 6.084 3.360 -6.357 1.00 0.00 O ATOM 1783 CB SER C 11 3.752 2.629 -8.568 1.00 0.00 C ATOM 1784 OG SER C 11 2.620 3.088 -9.271 1.00 0.00 O ATOM 0 H SER C 11 4.917 5.048 -7.538 1.00 0.00 H new ATOM 0 HA SER C 11 2.930 3.084 -6.629 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.654 2.845 -9.140 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.700 1.546 -8.452 1.00 0.00 H new ATOM 0 HG SER C 11 2.581 2.653 -10.149 1.00 0.00 H new ATOM 1790 N ILE C 12 4.843 1.538 -5.842 1.00 0.00 N ATOM 1791 CA ILE C 12 5.801 0.856 -4.975 1.00 0.00 C ATOM 1792 C ILE C 12 5.736 -0.640 -5.275 1.00 0.00 C ATOM 1793 O ILE C 12 4.773 -1.102 -5.883 1.00 0.00 O ATOM 1794 CB ILE C 12 5.441 1.147 -3.509 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.569 2.642 -3.196 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.293 0.357 -2.510 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.983 3.193 -3.399 1.00 0.00 C ATOM 0 H ILE C 12 3.984 1.003 -5.973 1.00 0.00 H new ATOM 0 HA ILE C 12 6.817 1.208 -5.153 1.00 0.00 H new ATOM 0 HB ILE C 12 4.406 0.826 -3.394 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.877 3.198 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.265 2.816 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.989 0.608 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.153 -0.711 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.344 0.611 -2.647 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.997 4.256 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.677 2.664 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.283 3.052 -4.437 1.00 0.00 H new ATOM 1809 N ASN C 13 6.746 -1.411 -4.859 1.00 0.00 N ATOM 1810 CA ASN C 13 6.828 -2.820 -5.206 1.00 0.00 C ATOM 1811 C ASN C 13 7.027 -3.703 -3.978 1.00 0.00 C ATOM 1812 O ASN C 13 7.601 -3.269 -2.978 1.00 0.00 O ATOM 1813 CB ASN C 13 7.988 -2.996 -6.185 1.00 0.00 C ATOM 1814 CG ASN C 13 7.829 -2.079 -7.384 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.473 -1.038 -7.450 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.975 -2.445 -8.332 1.00 0.00 N ATOM 0 H ASN C 13 7.516 -1.075 -4.281 1.00 0.00 H new ATOM 0 HA ASN C 13 5.888 -3.131 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.930 -2.782 -5.681 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.033 -4.033 -6.519 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.837 -1.852 -9.151 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.457 -3.319 -8.242 1.00 0.00 H new ATOM 1823 N ILE C 14 6.543 -4.941 -4.076 1.00 0.00 N ATOM 1824 CA ILE C 14 6.638 -5.941 -3.022 1.00 0.00 C ATOM 1825 C ILE C 14 6.946 -7.294 -3.660 1.00 0.00 C ATOM 1826 O ILE C 14 6.377 -7.638 -4.696 1.00 0.00 O ATOM 1827 CB ILE C 14 5.316 -6.011 -2.239 1.00 0.00 C ATOM 1828 CG1 ILE C 14 4.968 -4.633 -1.645 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.412 -7.074 -1.133 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.648 -4.663 -0.871 1.00 0.00 C ATOM 0 H ILE C 14 6.064 -5.280 -4.910 1.00 0.00 H new ATOM 0 HA ILE C 14 7.433 -5.672 -2.327 1.00 0.00 H new ATOM 0 HB ILE C 14 4.517 -6.296 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.771 -4.310 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.902 -3.898 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.471 -7.115 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.614 -8.047 -1.580 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.219 -6.815 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.440 -3.672 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.841 -4.960 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.722 -5.379 -0.052 1.00 0.00 H new ATOM 1842 N GLY C 15 7.848 -8.062 -3.044 1.00 0.00 N ATOM 1843 CA GLY C 15 8.246 -9.357 -3.562 1.00 0.00 C ATOM 1844 C GLY C 15 8.724 -9.238 -5.002 1.00 0.00 C ATOM 1845 O GLY C 15 9.362 -8.251 -5.373 1.00 0.00 O ATOM 0 H GLY C 15 8.316 -7.798 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.041 -9.773 -2.943 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.406 -10.049 -3.509 1.00 0.00 H new ATOM 1849 N ASP C 16 8.407 -10.247 -5.812 1.00 0.00 N ATOM 1850 CA ASP C 16 8.743 -10.270 -7.226 1.00 0.00 C ATOM 1851 C ASP C 16 7.478 -10.487 -8.058 1.00 0.00 C ATOM 1852 O ASP C 16 7.556 -10.818 -9.242 1.00 0.00 O ATOM 1853 CB ASP C 16 9.787 -11.356 -7.490 1.00 0.00 C ATOM 1854 CG ASP C 16 11.051 -11.128 -6.665 1.00 0.00 C ATOM 1855 OD1 ASP C 16 11.879 -10.292 -7.095 1.00 0.00 O ATOM 1856 OD2 ASP C 16 11.185 -11.792 -5.613 1.00 0.00 O ATOM 0 H ASP C 16 7.905 -11.077 -5.497 1.00 0.00 H new ATOM 0 HA ASP C 16 9.173 -9.312 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.366 -12.333 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.040 -11.369 -8.550 1.00 0.00 H new ATOM 1861 N ASP C 17 6.305 -10.303 -7.436 1.00 0.00 N ATOM 1862 CA ASP C 17 5.021 -10.579 -8.061 1.00 0.00 C ATOM 1863 C ASP C 17 3.952 -9.552 -7.678 1.00 0.00 C ATOM 1864 O ASP C 17 2.802 -9.713 -8.081 1.00 0.00 O ATOM 1865 CB ASP C 17 4.551 -11.979 -7.662 1.00 0.00 C ATOM 1866 CG ASP C 17 5.522 -13.061 -8.124 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.433 -13.447 -9.310 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.345 -13.496 -7.286 1.00 0.00 O ATOM 0 H ASP C 17 6.229 -9.956 -6.480 1.00 0.00 H new ATOM 0 HA ASP C 17 5.162 -10.516 -9.140 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.441 -12.029 -6.579 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.567 -12.167 -8.092 1.00 0.00 H new ATOM 1873 N ILE C 18 4.289 -8.502 -6.918 1.00 0.00 N ATOM 1874 CA ILE C 18 3.285 -7.540 -6.475 1.00 0.00 C ATOM 1875 C ILE C 18 3.767 -6.105 -6.662 1.00 0.00 C ATOM 1876 O ILE C 18 4.957 -5.806 -6.557 1.00 0.00 O ATOM 1877 CB ILE C 18 2.914 -7.784 -5.000 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.452 -9.222 -4.733 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.793 -6.835 -4.565 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.625 -10.080 -4.255 1.00 0.00 C ATOM 0 H ILE C 18 5.238 -8.303 -6.603 1.00 0.00 H new ATOM 0 HA ILE C 18 2.398 -7.683 -7.092 1.00 0.00 H new ATOM 0 HB ILE C 18 3.823 -7.601 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.663 -9.223 -3.981 1.00 0.00 H new ATOM 0 HG13 ILE C 18 2.028 -9.649 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.544 -7.021 -3.520 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.125 -5.803 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.912 -7.004 -5.184 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.280 -11.097 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.401 -10.093 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.030 -9.661 -3.334 1.00 0.00 H new ATOM 1892 N THR C 19 2.813 -5.216 -6.945 1.00 0.00 N ATOM 1893 CA THR C 19 3.036 -3.783 -7.087 1.00 0.00 C ATOM 1894 C THR C 19 1.857 -3.058 -6.440 1.00 0.00 C ATOM 1895 O THR C 19 0.758 -3.605 -6.355 1.00 0.00 O ATOM 1896 CB THR C 19 3.173 -3.434 -8.574 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.305 -4.093 -9.105 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.343 -1.934 -8.807 1.00 0.00 C ATOM 0 H THR C 19 1.839 -5.484 -7.085 1.00 0.00 H new ATOM 0 HA THR C 19 3.957 -3.473 -6.593 1.00 0.00 H new ATOM 0 HB THR C 19 2.255 -3.755 -9.066 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.395 -3.874 -10.056 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.436 -1.740 -9.876 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.474 -1.404 -8.416 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.241 -1.586 -8.296 1.00 0.00 H new ATOM 1906 N ILE C 20 2.091 -1.825 -5.989 1.00 0.00 N ATOM 1907 CA ILE C 20 1.112 -1.024 -5.267 1.00 0.00 C ATOM 1908 C ILE C 20 1.088 0.377 -5.864 1.00 0.00 C ATOM 1909 O ILE C 20 2.110 0.846 -6.358 1.00 0.00 O ATOM 1910 CB ILE C 20 1.509 -0.951 -3.781 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.656 -2.341 -3.148 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.501 -0.119 -2.982 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.328 -3.091 -3.041 1.00 0.00 C ATOM 0 H ILE C 20 2.984 -1.350 -6.120 1.00 0.00 H new ATOM 0 HA ILE C 20 0.123 -1.475 -5.351 1.00 0.00 H new ATOM 0 HB ILE C 20 2.483 -0.464 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.354 -2.932 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.090 -2.237 -2.153 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.806 -0.084 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.466 0.894 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.487 -0.574 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.497 -4.067 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.365 -2.518 -2.425 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.096 -3.224 -4.036 1.00 0.00 H new ATOM 1925 N THR C 21 -0.067 1.047 -5.820 1.00 0.00 N ATOM 1926 CA THR C 21 -0.213 2.385 -6.381 1.00 0.00 C ATOM 1927 C THR C 21 -1.173 3.210 -5.531 1.00 0.00 C ATOM 1928 O THR C 21 -2.182 2.697 -5.051 1.00 0.00 O ATOM 1929 CB THR C 21 -0.752 2.276 -7.812 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.067 1.423 -8.580 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.807 3.638 -8.503 1.00 0.00 C ATOM 0 H THR C 21 -0.918 0.677 -5.397 1.00 0.00 H new ATOM 0 HA THR C 21 0.759 2.879 -6.391 1.00 0.00 H new ATOM 0 HB THR C 21 -1.762 1.873 -7.741 1.00 0.00 H new ATOM 0 HG1 THR C 21 0.889 1.895 -8.829 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.194 3.517 -9.515 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.461 4.305 -7.941 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.195 4.065 -8.547 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.855 4.493 -5.350 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.692 5.447 -4.632 1.00 0.00 C ATOM 1941 C ILE C 22 -2.506 6.206 -5.681 1.00 0.00 C ATOM 1942 O ILE C 22 -2.043 7.202 -6.234 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.812 6.353 -3.743 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.561 7.585 -3.222 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.451 6.834 -4.461 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.811 7.207 -2.444 1.00 0.00 C ATOM 0 H ILE C 22 0.008 4.903 -5.706 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.387 4.960 -3.947 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.534 5.719 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.899 8.168 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.836 8.223 -4.062 1.00 0.00 H new ATOM 0 HG21 ILE C 22 1.032 7.467 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE C 22 1.050 5.974 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.171 7.405 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.309 8.111 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.487 6.647 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.535 6.591 -1.588 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.725 5.736 -5.959 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.525 6.294 -7.042 1.00 0.00 C ATOM 1960 C LEU C 23 -4.960 7.728 -6.720 1.00 0.00 C ATOM 1961 O LEU C 23 -5.201 8.520 -7.627 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.751 5.419 -7.345 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.565 3.929 -7.045 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.899 3.223 -7.253 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.512 3.301 -7.950 1.00 0.00 C ATOM 0 H LEU C 23 -4.174 4.975 -5.450 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.897 6.314 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.597 5.789 -6.765 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.011 5.534 -8.397 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.225 3.821 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.784 2.160 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.644 3.647 -6.580 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.224 3.356 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.408 2.243 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.817 3.406 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.557 3.804 -7.800 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.054 8.062 -5.426 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.357 9.422 -5.000 1.00 0.00 C ATOM 1979 C GLY C 24 -5.975 9.468 -3.603 1.00 0.00 C ATOM 1980 O GLY C 24 -5.991 8.459 -2.896 1.00 0.00 O ATOM 0 H GLY C 24 -4.923 7.402 -4.659 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.443 10.016 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.042 9.880 -5.713 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.487 10.638 -3.210 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.172 10.805 -1.931 1.00 0.00 C ATOM 1986 C VAL C 25 -8.488 11.553 -2.142 1.00 0.00 C ATOM 1987 O VAL C 25 -8.746 12.066 -3.229 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.279 11.511 -0.897 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.829 11.030 -0.961 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.287 13.032 -1.053 1.00 0.00 C ATOM 0 H VAL C 25 -6.437 11.490 -3.768 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.395 9.818 -1.527 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.708 11.249 0.070 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.237 11.557 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.792 9.959 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.422 11.231 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.640 13.479 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.923 13.298 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.303 13.405 -0.927 1.00 0.00 H new ATOM 2000 N SER C 26 -9.322 11.613 -1.097 1.00 0.00 N ATOM 2001 CA SER C 26 -10.611 12.297 -1.130 1.00 0.00 C ATOM 2002 C SER C 26 -10.783 13.050 0.188 1.00 0.00 C ATOM 2003 O SER C 26 -11.879 13.129 0.739 1.00 0.00 O ATOM 2004 CB SER C 26 -11.719 11.270 -1.347 1.00 0.00 C ATOM 2005 OG SER C 26 -12.903 11.895 -1.793 1.00 0.00 O ATOM 0 H SER C 26 -9.114 11.182 -0.196 1.00 0.00 H new ATOM 0 HA SER C 26 -10.660 13.013 -1.950 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.396 10.529 -2.079 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.913 10.736 -0.417 1.00 0.00 H new ATOM 0 HG SER C 26 -13.166 12.591 -1.155 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.671 13.595 0.679 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.555 14.175 2.003 1.00 0.00 C ATOM 2013 C GLY C 27 -8.638 13.279 2.814 1.00 0.00 C ATOM 2014 O GLY C 27 -7.675 12.735 2.278 1.00 0.00 O ATOM 0 H GLY C 27 -8.803 13.643 0.145 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.151 15.186 1.945 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.534 14.250 2.476 1.00 0.00 H new ATOM 2018 N GLN C 28 -8.919 13.114 4.101 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.127 12.231 4.934 1.00 0.00 C ATOM 2020 C GLN C 28 -8.320 10.765 4.543 1.00 0.00 C ATOM 2021 O GLN C 28 -7.518 9.923 4.945 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.470 12.483 6.396 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.433 13.426 7.011 1.00 0.00 C ATOM 2024 CD GLN C 28 -7.357 14.739 6.230 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -8.214 15.608 6.382 1.00 0.00 O ATOM 2026 NE2 GLN C 28 -6.333 14.893 5.392 1.00 0.00 N ATOM 0 H GLN C 28 -9.687 13.580 4.585 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.070 12.447 4.781 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.466 12.919 6.477 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.489 11.541 6.943 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.693 13.631 8.050 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.455 12.944 7.016 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -5.640 14.151 5.291 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -6.241 15.753 4.851 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.360 10.435 3.768 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.475 9.101 3.207 1.00 0.00 C ATOM 2037 C GLN C 29 -8.569 8.985 1.982 1.00 0.00 C ATOM 2038 O GLN C 29 -8.307 9.976 1.300 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.928 8.733 2.903 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.514 9.441 1.687 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.909 8.893 1.396 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.754 8.835 2.281 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.158 8.482 0.157 1.00 0.00 N ATOM 0 H GLN C 29 -10.120 11.070 3.523 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.140 8.375 3.947 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.993 7.656 2.748 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.540 8.967 3.774 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.565 10.515 1.869 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.867 9.294 0.822 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -12.432 8.544 -0.557 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.075 8.104 -0.080 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.090 7.776 1.702 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.084 7.520 0.683 1.00 0.00 C ATOM 2054 C VAL C 30 -7.529 6.339 -0.167 1.00 0.00 C ATOM 2055 O VAL C 30 -8.214 5.437 0.319 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.745 7.240 1.376 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.635 6.957 0.366 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.312 8.448 2.205 1.00 0.00 C ATOM 0 H VAL C 30 -8.398 6.933 2.187 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.962 8.383 0.028 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.897 6.366 2.009 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.702 6.763 0.895 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.901 6.085 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.509 7.820 -0.287 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.360 8.234 2.691 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.200 9.315 1.554 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -6.067 8.659 2.963 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.136 6.344 -1.442 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.547 5.339 -2.410 1.00 0.00 C ATOM 2070 C ARG C 31 -6.311 4.707 -3.025 1.00 0.00 C ATOM 2071 O ARG C 31 -5.446 5.402 -3.558 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.417 6.019 -3.463 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.223 5.007 -4.271 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.072 5.823 -5.238 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.034 4.987 -5.958 1.00 0.00 N ATOM 2076 CZ ARG C 31 -11.250 5.054 -7.277 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -10.547 5.866 -8.060 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.191 4.302 -7.831 1.00 0.00 N ATOM 0 H ARG C 31 -6.517 7.056 -1.830 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.126 4.546 -1.937 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.096 6.719 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -7.786 6.601 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.565 4.325 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.850 4.398 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.605 6.598 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -9.423 6.328 -5.953 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.574 4.310 -5.420 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -9.821 6.459 -7.659 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.734 5.896 -9.062 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -12.749 3.674 -7.252 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -12.357 4.351 -8.836 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.242 3.377 -2.947 1.00 0.00 N ATOM 2093 CA ILE C 32 -5.029 2.630 -3.250 1.00 0.00 C ATOM 2094 C ILE C 32 -5.372 1.432 -4.127 1.00 0.00 C ATOM 2095 O ILE C 32 -6.459 0.868 -4.025 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.397 2.170 -1.926 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.163 3.369 -0.995 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.079 1.435 -2.172 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.647 2.944 0.381 1.00 0.00 C ATOM 0 H ILE C 32 -7.029 2.790 -2.671 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.320 3.257 -3.791 1.00 0.00 H new ATOM 0 HB ILE C 32 -5.092 1.480 -1.447 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.446 4.049 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -5.095 3.921 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.654 1.121 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.262 0.559 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.380 2.101 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.497 3.827 1.002 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.375 2.286 0.855 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.700 2.416 0.267 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.435 1.041 -4.992 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.608 -0.091 -5.885 1.00 0.00 C ATOM 2113 C GLY C 33 -3.489 -1.098 -5.676 1.00 0.00 C ATOM 2114 O GLY C 33 -2.417 -0.755 -5.171 1.00 0.00 O ATOM 0 H GLY C 33 -3.533 1.507 -5.088 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.573 -0.564 -5.702 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.612 0.250 -6.920 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.746 -2.346 -6.068 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.823 -3.445 -5.882 1.00 0.00 C ATOM 2120 C ILE C 34 -2.775 -4.227 -7.184 1.00 0.00 C ATOM 2121 O ILE C 34 -3.767 -4.319 -7.900 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.293 -4.322 -4.712 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.434 -3.469 -3.445 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.296 -5.459 -4.467 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.086 -4.255 -2.308 1.00 0.00 C ATOM 0 H ILE C 34 -4.615 -2.616 -6.529 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.823 -3.087 -5.637 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.262 -4.753 -4.963 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.451 -3.119 -3.130 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.031 -2.584 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.641 -6.073 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.218 -6.074 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.318 -5.040 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.169 -3.619 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.079 -4.582 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.475 -5.126 -2.070 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.615 -4.798 -7.492 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.401 -5.502 -8.741 1.00 0.00 C ATOM 2139 C ASN C 35 -0.626 -6.780 -8.457 1.00 0.00 C ATOM 2140 O ASN C 35 0.602 -6.773 -8.395 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.660 -4.579 -9.709 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.499 -5.205 -11.086 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.041 -6.267 -11.368 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.254 -4.539 -11.958 1.00 0.00 N ATOM 0 H ASN C 35 -0.800 -4.783 -6.879 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.347 -5.781 -9.205 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.203 -3.638 -9.800 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.323 -4.341 -9.302 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.396 -4.910 -12.897 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.689 -3.657 -11.687 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.363 -7.876 -8.282 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.787 -9.170 -7.960 1.00 0.00 C ATOM 2153 C ALA C 36 -1.536 -10.304 -8.664 1.00 0.00 C ATOM 2154 O ALA C 36 -2.704 -10.144 -9.030 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.876 -9.382 -6.452 1.00 0.00 C ATOM 0 H ALA C 36 -2.380 -7.886 -8.361 1.00 0.00 H new ATOM 0 HA ALA C 36 0.250 -9.182 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.447 -10.350 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.324 -8.593 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -1.921 -9.354 -6.142 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.870 -11.446 -8.859 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.480 -12.669 -9.350 1.00 0.00 C ATOM 2163 C PRO C 37 -2.417 -13.278 -8.317 1.00 0.00 C ATOM 2164 O PRO C 37 -2.319 -12.984 -7.128 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.308 -13.618 -9.601 1.00 0.00 C ATOM 2166 CG PRO C 37 0.798 -13.124 -8.672 1.00 0.00 C ATOM 2167 CD PRO C 37 0.549 -11.627 -8.609 1.00 0.00 C ATOM 0 HA PRO C 37 -2.077 -12.482 -10.242 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.580 -14.650 -9.379 1.00 0.00 H new ATOM 0 HB3 PRO C 37 0.009 -13.589 -10.644 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.733 -13.586 -7.687 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.788 -13.352 -9.067 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.828 -11.226 -7.635 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.147 -11.100 -9.353 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.328 -14.141 -8.777 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.189 -14.908 -7.886 1.00 0.00 C ATOM 2177 C LYS C 38 -3.360 -15.900 -7.073 1.00 0.00 C ATOM 2178 O LYS C 38 -3.902 -16.633 -6.248 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.272 -15.621 -8.690 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.196 -14.639 -9.416 1.00 0.00 C ATOM 2181 CD LYS C 38 -6.831 -13.652 -8.438 1.00 0.00 C ATOM 2182 CE LYS C 38 -7.948 -12.877 -9.125 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.087 -13.748 -9.475 1.00 0.00 N ATOM 0 H LYS C 38 -3.485 -14.323 -9.768 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.677 -14.228 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.804 -16.283 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -5.864 -16.248 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.630 -14.094 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -6.977 -15.190 -9.939 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -7.227 -14.187 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -6.075 -12.961 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.291 -12.077 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -7.561 -12.405 -10.028 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -9.945 -13.170 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.885 -14.242 -10.367 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.235 -14.446 -8.719 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.048 -15.920 -7.314 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.094 -16.704 -6.554 1.00 0.00 C ATOM 2199 C ASP C 39 -0.991 -16.192 -5.117 1.00 0.00 C ATOM 2200 O ASP C 39 -0.407 -16.856 -4.265 1.00 0.00 O ATOM 2201 CB ASP C 39 0.267 -16.585 -7.241 1.00 0.00 C ATOM 2202 CG ASP C 39 1.206 -17.720 -6.844 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.851 -18.889 -7.119 1.00 0.00 O ATOM 2204 OD2 ASP C 39 2.275 -17.413 -6.269 1.00 0.00 O ATOM 0 H ASP C 39 -1.617 -15.376 -8.062 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.420 -17.743 -6.517 1.00 0.00 H new ATOM 0 HB2 ASP C 39 0.129 -16.589 -8.322 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.722 -15.629 -6.981 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.561 -15.008 -4.856 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.513 -14.366 -3.552 1.00 0.00 C ATOM 2211 C VAL C 40 -2.869 -13.734 -3.230 1.00 0.00 C ATOM 2212 O VAL C 40 -3.682 -13.485 -4.123 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.394 -13.313 -3.514 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.906 -13.846 -4.125 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.779 -12.049 -4.279 1.00 0.00 C ATOM 0 H VAL C 40 -2.071 -14.470 -5.557 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.294 -15.118 -2.794 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.244 -13.079 -2.460 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.673 -13.073 -4.080 1.00 0.00 H new ATOM 0 HG12 VAL C 40 1.239 -14.721 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.732 -14.124 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL C 40 0.038 -11.330 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -0.977 -12.300 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.674 -11.613 -3.835 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.110 -13.473 -1.945 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.363 -12.911 -1.477 1.00 0.00 C ATOM 2227 C ALA C 41 -4.174 -11.437 -1.150 1.00 0.00 C ATOM 2228 O ALA C 41 -3.122 -11.049 -0.645 1.00 0.00 O ATOM 2229 CB ALA C 41 -4.785 -13.676 -0.220 1.00 0.00 C ATOM 0 H ALA C 41 -2.434 -13.649 -1.201 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.131 -12.999 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.726 -13.272 0.153 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -4.913 -14.731 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.016 -13.570 0.546 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.184 -10.606 -1.428 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.126 -9.190 -1.069 1.00 0.00 C ATOM 2237 C VAL C 42 -6.513 -8.718 -0.644 1.00 0.00 C ATOM 2238 O VAL C 42 -7.476 -8.853 -1.397 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.578 -8.334 -2.223 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.138 -8.735 -2.543 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.389 -8.467 -3.510 1.00 0.00 C ATOM 0 H VAL C 42 -6.044 -10.889 -1.897 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.436 -9.071 -0.234 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.640 -7.302 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.763 -8.121 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.514 -8.585 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.109 -9.785 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -4.949 -7.838 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.381 -9.506 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.416 -8.152 -3.327 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.615 -8.162 0.567 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.884 -7.669 1.080 1.00 0.00 C ATOM 2253 C HIS C 43 -7.661 -6.608 2.153 1.00 0.00 C ATOM 2254 O HIS C 43 -6.561 -6.475 2.686 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.700 -8.809 1.708 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.601 -10.140 1.010 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.529 -10.642 0.091 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.596 -11.050 1.171 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.057 -11.846 -0.276 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -7.901 -12.115 0.353 1.00 0.00 N ATOM 0 H HIS C 43 -5.829 -8.045 1.207 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.425 -7.241 0.236 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.378 -8.936 2.742 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.748 -8.510 1.735 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.384 -10.189 -0.232 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.733 -10.954 1.813 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.541 -12.507 -0.980 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.715 -5.851 2.467 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.690 -4.933 3.596 1.00 0.00 C ATOM 2270 C ARG C 44 -8.915 -5.736 4.873 1.00 0.00 C ATOM 2271 O ARG C 44 -9.411 -6.862 4.815 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.737 -3.832 3.402 1.00 0.00 C ATOM 2273 CG ARG C 44 -11.158 -4.391 3.332 1.00 0.00 C ATOM 2274 CD ARG C 44 -12.138 -3.281 2.960 1.00 0.00 C ATOM 2275 NE ARG C 44 -13.504 -3.808 2.864 1.00 0.00 N ATOM 2276 CZ ARG C 44 -14.462 -3.617 3.778 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -14.236 -2.886 4.867 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -15.657 -4.168 3.603 1.00 0.00 N ATOM 0 H ARG C 44 -9.595 -5.860 1.951 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.724 -4.434 3.670 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.669 -3.120 4.224 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.519 -3.283 2.486 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -11.206 -5.192 2.595 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.435 -4.825 4.293 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -12.100 -2.489 3.708 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.847 -2.835 2.009 1.00 0.00 H new ATOM 0 HE ARG C 44 -13.741 -4.361 2.040 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -13.321 -2.461 5.015 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.978 -2.751 5.554 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -15.841 -4.734 2.775 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -16.391 -4.025 4.297 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.557 -5.168 6.027 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.621 -5.874 7.305 1.00 0.00 C ATOM 2294 C GLU C 45 -9.963 -6.555 7.537 1.00 0.00 C ATOM 2295 O GLU C 45 -10.013 -7.664 8.061 1.00 0.00 O ATOM 2296 CB GLU C 45 -8.402 -4.876 8.441 1.00 0.00 C ATOM 2297 CG GLU C 45 -7.047 -4.200 8.295 1.00 0.00 C ATOM 2298 CD GLU C 45 -6.783 -3.268 9.476 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -7.210 -2.095 9.393 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -6.154 -3.736 10.453 1.00 0.00 O ATOM 0 H GLU C 45 -8.216 -4.209 6.100 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.848 -6.642 7.281 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -9.193 -4.126 8.433 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.459 -5.389 9.401 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.262 -4.954 8.237 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -7.015 -3.634 7.364 1.00 0.00 H new ATOM 2307 N GLU C 46 -11.051 -5.893 7.147 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.389 -6.405 7.404 1.00 0.00 C ATOM 2309 C GLU C 46 -12.625 -7.755 6.725 1.00 0.00 C ATOM 2310 O GLU C 46 -13.364 -8.576 7.263 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.419 -5.380 6.932 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.833 -5.766 7.383 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.863 -4.741 6.902 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -15.676 -3.538 7.193 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -16.835 -5.171 6.245 1.00 0.00 O ATOM 0 H GLU C 46 -11.029 -5.001 6.652 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.494 -6.567 8.477 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.164 -4.396 7.327 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.389 -5.305 5.845 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -15.086 -6.752 6.993 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.865 -5.836 8.470 1.00 0.00 H new ATOM 2322 N ILE C 47 -12.015 -8.001 5.564 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.181 -9.271 4.867 1.00 0.00 C ATOM 2324 C ILE C 47 -11.095 -10.229 5.333 1.00 0.00 C ATOM 2325 O ILE C 47 -11.333 -11.427 5.474 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.058 -9.052 3.349 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.344 -8.497 2.736 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.765 -10.367 2.623 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.792 -7.197 3.386 1.00 0.00 C ATOM 0 H ILE C 47 -11.403 -7.337 5.090 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.165 -9.687 5.086 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.243 -8.339 3.225 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.191 -8.331 1.670 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.137 -9.239 2.833 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.683 -10.181 1.552 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.828 -10.785 2.991 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.575 -11.073 2.808 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.709 -6.850 2.911 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.974 -7.365 4.447 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -13.014 -6.443 3.266 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.900 -9.690 5.573 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.741 -10.476 5.958 1.00 0.00 C ATOM 2343 C TYR C 48 -8.983 -11.265 7.245 1.00 0.00 C ATOM 2344 O TYR C 48 -8.446 -12.358 7.416 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.568 -9.520 6.149 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.302 -10.224 6.567 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.483 -10.836 5.605 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.959 -10.259 7.922 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.305 -11.482 6.008 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.793 -10.909 8.330 1.00 0.00 C ATOM 2351 CZ TYR C 48 -3.951 -11.518 7.375 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.804 -12.140 7.771 1.00 0.00 O ATOM 0 H TYR C 48 -9.714 -8.690 5.504 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.532 -11.204 5.174 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.389 -8.982 5.218 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.830 -8.776 6.902 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.758 -10.810 4.561 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.596 -9.783 8.653 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.668 -11.952 5.273 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.535 -10.946 9.378 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.713 -12.070 8.744 1.00 0.00 H new