USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=24 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= 0.813 K(o=0.82,f=-3.2!) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0.00593 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.343 USER MOD Set 2.2: C 21 THR OG1 : rot -71:sc= 0.379 USER MOD Set 3.1: A 29 GLN : amide:sc= -0.205 K(o=-0.27,f=-5.9!) USER MOD Set 3.2: C 7 LYS NZ :NH3+ -131:sc= -0.0664 (180deg=-1.07) USER MOD Set 4.1: A 13 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0.457 USER MOD Set 5.2: A 21 THR OG1 : rot -76:sc= 0.489 USER MOD Single : A 1 MET CE :methyl -125:sc= -0.0197 (180deg=-0.34) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.00512 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0266 (180deg=-0.28) USER MOD Single : A 26 SER OG : rot -150:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.215 F(o=-0.98,f=-0.21) USER MOD Single : A 35 ASN : amide:sc= -0.0128 K(o=-0.013,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.155) USER MOD Single : A 43 HIS : no HE2:sc= -1.97 K(o=-2,f=-4!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -124:sc=-0.00575 (180deg=-0.28) USER MOD Single : C 1 MET N :NH3+ 132:sc= 0.0577 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 150:sc= 0.229 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN :FLIP amide:sc= -0.382 F(o=-1,f=-0.38) USER MOD Single : C 29 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.86) USER MOD Single : C 35 ASN : amide:sc= -0.0643 K(o=-0.064,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ -164:sc= -0.0104 (180deg=-0.209) USER MOD Single : C 43 HIS : no HE2:sc= -3.54 K(o=-3.5,f=-5.7!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.894 -5.352 -11.341 1.00 0.00 N ATOM 2 CA MET A 1 -5.895 -4.407 -10.210 1.00 0.00 C ATOM 3 C MET A 1 -6.976 -4.781 -9.209 1.00 0.00 C ATOM 4 O MET A 1 -8.108 -5.043 -9.597 1.00 0.00 O ATOM 5 CB MET A 1 -6.125 -2.983 -10.707 1.00 0.00 C ATOM 6 CG MET A 1 -5.863 -1.950 -9.613 1.00 0.00 C ATOM 7 SD MET A 1 -4.112 -1.617 -9.313 1.00 0.00 S ATOM 8 CE MET A 1 -3.836 -0.602 -10.782 1.00 0.00 C ATOM 0 H1 MET A 1 -5.668 -4.842 -12.219 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.181 -6.090 -11.176 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.833 -5.791 -11.428 1.00 0.00 H new ATOM 0 HA MET A 1 -4.923 -4.459 -9.720 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.472 -2.785 -11.557 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.151 -2.884 -11.062 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.358 -1.017 -9.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.320 -2.296 -8.686 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.010 -1.016 -11.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.739 -0.593 -11.393 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.592 0.417 -10.480 1.00 0.00 H new ATOM 20 N LEU A 2 -6.622 -4.798 -7.923 1.00 0.00 N ATOM 21 CA LEU A 2 -7.566 -4.995 -6.833 1.00 0.00 C ATOM 22 C LEU A 2 -7.481 -3.730 -5.989 1.00 0.00 C ATOM 23 O LEU A 2 -6.395 -3.342 -5.571 1.00 0.00 O ATOM 24 CB LEU A 2 -7.201 -6.277 -6.080 1.00 0.00 C ATOM 25 CG LEU A 2 -8.113 -6.612 -4.893 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.739 -5.810 -3.650 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.586 -6.370 -5.213 1.00 0.00 C ATOM 0 H LEU A 2 -5.659 -4.673 -7.610 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.597 -5.136 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.221 -7.111 -6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.176 -6.189 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.966 -7.674 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.408 -6.075 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.711 -6.036 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.831 -4.745 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.193 -6.621 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.735 -5.321 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.883 -6.995 -6.055 1.00 0.00 H new ATOM 39 N ILE A 3 -8.621 -3.090 -5.729 1.00 0.00 N ATOM 40 CA ILE A 3 -8.624 -1.744 -5.174 1.00 0.00 C ATOM 41 C ILE A 3 -9.388 -1.684 -3.866 1.00 0.00 C ATOM 42 O ILE A 3 -10.347 -2.427 -3.660 1.00 0.00 O ATOM 43 CB ILE A 3 -9.243 -0.814 -6.222 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.401 -0.920 -7.496 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.305 0.642 -5.754 1.00 0.00 C ATOM 46 CD1 ILE A 3 -9.083 -0.248 -8.673 1.00 0.00 C ATOM 0 H ILE A 3 -9.548 -3.483 -5.894 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.605 -1.432 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.273 -1.124 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.427 -0.461 -7.328 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.223 -1.970 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.752 1.257 -6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.910 0.708 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.297 1.000 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.456 -0.343 -9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.046 -0.725 -8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.238 0.808 -8.450 1.00 0.00 H new ATOM 58 N LEU A 4 -8.944 -0.782 -2.994 1.00 0.00 N ATOM 59 CA LEU A 4 -9.524 -0.554 -1.684 1.00 0.00 C ATOM 60 C LEU A 4 -9.404 0.927 -1.344 1.00 0.00 C ATOM 61 O LEU A 4 -8.557 1.632 -1.892 1.00 0.00 O ATOM 62 CB LEU A 4 -8.800 -1.406 -0.638 1.00 0.00 C ATOM 63 CG LEU A 4 -9.002 -2.912 -0.855 1.00 0.00 C ATOM 64 CD1 LEU A 4 -8.181 -3.689 0.166 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.462 -3.318 -0.656 1.00 0.00 C ATOM 0 H LEU A 4 -8.148 -0.175 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.576 -0.839 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.734 -1.179 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.158 -1.135 0.355 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.693 -3.135 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.325 -4.758 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.126 -3.444 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.504 -3.421 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.567 -4.391 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.773 -3.072 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.089 -2.781 -1.368 1.00 0.00 H new ATOM 77 N THR A 5 -10.263 1.393 -0.440 1.00 0.00 N ATOM 78 CA THR A 5 -10.291 2.790 -0.039 1.00 0.00 C ATOM 79 C THR A 5 -10.230 2.845 1.479 1.00 0.00 C ATOM 80 O THR A 5 -10.903 2.071 2.157 1.00 0.00 O ATOM 81 CB THR A 5 -11.557 3.441 -0.597 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.543 3.332 -2.002 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.653 4.916 -0.227 1.00 0.00 C ATOM 0 H THR A 5 -10.956 0.811 0.032 1.00 0.00 H new ATOM 0 HA THR A 5 -9.439 3.343 -0.435 1.00 0.00 H new ATOM 0 HB THR A 5 -12.415 2.926 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.352 3.745 -2.370 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.568 5.337 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.668 5.019 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.792 5.449 -0.630 1.00 0.00 H new ATOM 91 N ARG A 6 -9.420 3.764 2.012 1.00 0.00 N ATOM 92 CA ARG A 6 -9.124 3.815 3.437 1.00 0.00 C ATOM 93 C ARG A 6 -8.999 5.231 3.948 1.00 0.00 C ATOM 94 O ARG A 6 -9.163 6.191 3.201 1.00 0.00 O ATOM 95 CB ARG A 6 -7.818 3.073 3.714 1.00 0.00 C ATOM 96 CG ARG A 6 -7.825 1.690 3.087 1.00 0.00 C ATOM 97 CD ARG A 6 -6.633 0.927 3.633 1.00 0.00 C ATOM 98 NE ARG A 6 -5.380 1.684 3.533 1.00 0.00 N ATOM 99 CZ ARG A 6 -4.495 1.560 2.540 1.00 0.00 C ATOM 100 NH1 ARG A 6 -4.764 0.802 1.477 1.00 0.00 N ATOM 101 NH2 ARG A 6 -3.329 2.196 2.604 1.00 0.00 N ATOM 0 H ARG A 6 -8.955 4.489 1.466 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.957 3.343 3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.980 3.649 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.668 2.986 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.753 1.169 3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.767 1.763 2.001 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.817 0.673 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.529 -0.013 3.090 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.170 2.352 4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.654 0.308 1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.080 0.716 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.110 2.779 3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.654 2.101 1.845 1.00 0.00 H new ATOM 115 N LYS A 7 -8.704 5.336 5.240 1.00 0.00 N ATOM 116 CA LYS A 7 -8.490 6.607 5.903 1.00 0.00 C ATOM 117 C LYS A 7 -7.139 6.584 6.587 1.00 0.00 C ATOM 118 O LYS A 7 -6.573 5.512 6.803 1.00 0.00 O ATOM 119 CB LYS A 7 -9.585 6.831 6.939 1.00 0.00 C ATOM 120 CG LYS A 7 -10.986 6.804 6.337 1.00 0.00 C ATOM 121 CD LYS A 7 -11.973 7.175 7.443 1.00 0.00 C ATOM 122 CE LYS A 7 -12.019 8.686 7.696 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.593 9.406 6.544 1.00 0.00 N ATOM 0 H LYS A 7 -8.607 4.530 5.858 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.518 7.415 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.511 6.064 7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.424 7.791 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.059 7.507 5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.212 5.815 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.969 6.823 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.694 6.663 8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.613 8.890 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.012 9.055 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.893 10.356 6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.877 9.489 5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.415 8.882 6.181 1.00 0.00 H new ATOM 137 N VAL A 8 -6.604 7.756 6.928 1.00 0.00 N ATOM 138 CA VAL A 8 -5.287 7.776 7.552 1.00 0.00 C ATOM 139 C VAL A 8 -5.327 7.076 8.907 1.00 0.00 C ATOM 140 O VAL A 8 -6.112 7.434 9.784 1.00 0.00 O ATOM 141 CB VAL A 8 -4.712 9.192 7.641 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.527 9.729 6.224 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.570 10.183 8.423 1.00 0.00 C ATOM 0 H VAL A 8 -7.042 8.667 6.790 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.603 7.218 6.913 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.772 9.104 8.186 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.118 10.738 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.841 9.083 5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.490 9.750 5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.083 11.158 8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.548 10.270 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.693 9.829 9.447 1.00 0.00 H new ATOM 153 N GLY A 9 -4.468 6.068 9.065 1.00 0.00 N ATOM 154 CA GLY A 9 -4.351 5.281 10.284 1.00 0.00 C ATOM 155 C GLY A 9 -4.788 3.825 10.096 1.00 0.00 C ATOM 156 O GLY A 9 -4.533 2.997 10.969 1.00 0.00 O ATOM 0 H GLY A 9 -3.823 5.773 8.332 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.317 5.303 10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.957 5.739 11.066 1.00 0.00 H new ATOM 160 N GLU A 10 -5.441 3.498 8.976 1.00 0.00 N ATOM 161 CA GLU A 10 -5.934 2.146 8.723 1.00 0.00 C ATOM 162 C GLU A 10 -4.849 1.255 8.115 1.00 0.00 C ATOM 163 O GLU A 10 -3.758 1.719 7.790 1.00 0.00 O ATOM 164 CB GLU A 10 -7.144 2.193 7.784 1.00 0.00 C ATOM 165 CG GLU A 10 -8.267 3.020 8.410 1.00 0.00 C ATOM 166 CD GLU A 10 -9.582 2.838 7.661 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.546 2.868 6.412 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.619 2.670 8.341 1.00 0.00 O ATOM 0 H GLU A 10 -5.640 4.160 8.226 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.228 1.718 9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.854 2.626 6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.496 1.181 7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.398 2.728 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.989 4.074 8.407 1.00 0.00 H new ATOM 175 N SER A 11 -5.163 -0.037 7.966 1.00 0.00 N ATOM 176 CA SER A 11 -4.226 -1.035 7.470 1.00 0.00 C ATOM 177 C SER A 11 -4.902 -1.994 6.492 1.00 0.00 C ATOM 178 O SER A 11 -6.124 -1.989 6.360 1.00 0.00 O ATOM 179 CB SER A 11 -3.648 -1.822 8.648 1.00 0.00 C ATOM 180 OG SER A 11 -2.934 -0.969 9.517 1.00 0.00 O ATOM 0 H SER A 11 -6.083 -0.416 8.190 1.00 0.00 H new ATOM 0 HA SER A 11 -3.426 -0.519 6.939 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.454 -2.313 9.194 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.988 -2.607 8.278 1.00 0.00 H new ATOM 0 HG SER A 11 -2.574 -1.491 10.264 1.00 0.00 H new ATOM 186 N ILE A 12 -4.090 -2.813 5.810 1.00 0.00 N ATOM 187 CA ILE A 12 -4.507 -3.772 4.787 1.00 0.00 C ATOM 188 C ILE A 12 -3.586 -4.990 4.862 1.00 0.00 C ATOM 189 O ILE A 12 -2.504 -4.910 5.440 1.00 0.00 O ATOM 190 CB ILE A 12 -4.428 -3.099 3.405 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.456 -1.968 3.301 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.630 -4.069 2.239 1.00 0.00 C ATOM 193 CD1 ILE A 12 -6.908 -2.440 3.424 1.00 0.00 C ATOM 0 H ILE A 12 -3.082 -2.823 5.965 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.535 -4.096 4.951 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.415 -2.704 3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.255 -1.234 4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.328 -1.460 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.561 -3.525 1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.860 -4.840 2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.613 -4.534 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.577 -1.584 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.128 -3.151 2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.053 -2.921 4.391 1.00 0.00 H new ATOM 205 N ASN A 13 -4.009 -6.117 4.283 1.00 0.00 N ATOM 206 CA ASN A 13 -3.268 -7.364 4.379 1.00 0.00 C ATOM 207 C ASN A 13 -2.959 -7.943 3.000 1.00 0.00 C ATOM 208 O ASN A 13 -3.737 -7.787 2.058 1.00 0.00 O ATOM 209 CB ASN A 13 -4.089 -8.358 5.207 1.00 0.00 C ATOM 210 CG ASN A 13 -4.254 -7.887 6.642 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.326 -7.437 7.035 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.191 -7.983 7.437 1.00 0.00 N ATOM 0 H ASN A 13 -4.870 -6.184 3.740 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.312 -7.171 4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.070 -8.489 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.600 -9.332 5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.251 -7.677 8.408 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.316 -8.362 7.075 1.00 0.00 H new ATOM 219 N ILE A 14 -1.806 -8.618 2.907 1.00 0.00 N ATOM 220 CA ILE A 14 -1.331 -9.272 1.690 1.00 0.00 C ATOM 221 C ILE A 14 -0.719 -10.616 2.076 1.00 0.00 C ATOM 222 O ILE A 14 0.075 -10.701 3.013 1.00 0.00 O ATOM 223 CB ILE A 14 -0.281 -8.400 0.986 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.862 -7.022 0.636 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.247 -9.124 -0.259 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.158 -6.129 -0.072 1.00 0.00 C ATOM 0 H ILE A 14 -1.167 -8.724 3.695 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.164 -9.420 1.002 1.00 0.00 H new ATOM 0 HB ILE A 14 0.556 -8.234 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.736 -7.149 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.202 -6.531 1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.991 -8.501 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.703 -10.069 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.578 -9.318 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.298 -5.165 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.021 -5.978 0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.479 -6.606 -0.998 1.00 0.00 H new ATOM 238 N GLY A 15 -1.093 -11.675 1.347 1.00 0.00 N ATOM 239 CA GLY A 15 -0.634 -13.019 1.641 1.00 0.00 C ATOM 240 C GLY A 15 -0.889 -13.360 3.106 1.00 0.00 C ATOM 241 O GLY A 15 -1.904 -12.957 3.677 1.00 0.00 O ATOM 0 H GLY A 15 -1.719 -11.615 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.149 -13.734 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.430 -13.103 1.422 1.00 0.00 H new ATOM 245 N ASP A 16 0.038 -14.099 3.713 1.00 0.00 N ATOM 246 CA ASP A 16 -0.021 -14.448 5.124 1.00 0.00 C ATOM 247 C ASP A 16 1.263 -14.022 5.840 1.00 0.00 C ATOM 248 O ASP A 16 1.534 -14.477 6.949 1.00 0.00 O ATOM 249 CB ASP A 16 -0.345 -15.938 5.293 1.00 0.00 C ATOM 250 CG ASP A 16 0.700 -16.841 4.641 1.00 0.00 C ATOM 251 OD1 ASP A 16 0.619 -17.027 3.407 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.574 -17.345 5.380 1.00 0.00 O ATOM 0 H ASP A 16 0.856 -14.473 3.232 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.833 -13.898 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.412 -16.174 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.322 -16.146 4.858 1.00 0.00 H new ATOM 257 N ASP A 17 2.056 -13.152 5.199 1.00 0.00 N ATOM 258 CA ASP A 17 3.324 -12.679 5.743 1.00 0.00 C ATOM 259 C ASP A 17 3.494 -11.167 5.599 1.00 0.00 C ATOM 260 O ASP A 17 4.537 -10.646 5.984 1.00 0.00 O ATOM 261 CB ASP A 17 4.487 -13.385 5.037 1.00 0.00 C ATOM 262 CG ASP A 17 4.428 -14.903 5.181 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.749 -15.392 6.288 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.061 -15.563 4.185 1.00 0.00 O ATOM 0 H ASP A 17 1.830 -12.759 4.286 1.00 0.00 H new ATOM 0 HA ASP A 17 3.323 -12.914 6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.477 -13.124 3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.430 -13.022 5.446 1.00 0.00 H new ATOM 269 N ILE A 18 2.505 -10.439 5.058 1.00 0.00 N ATOM 270 CA ILE A 18 2.662 -9.003 4.842 1.00 0.00 C ATOM 271 C ILE A 18 1.420 -8.230 5.285 1.00 0.00 C ATOM 272 O ILE A 18 0.297 -8.724 5.208 1.00 0.00 O ATOM 273 CB ILE A 18 2.967 -8.711 3.364 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.181 -9.484 2.838 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.221 -7.212 3.157 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.739 -10.784 2.166 1.00 0.00 C ATOM 0 H ILE A 18 1.604 -10.819 4.768 1.00 0.00 H new ATOM 0 HA ILE A 18 3.502 -8.669 5.451 1.00 0.00 H new ATOM 0 HB ILE A 18 2.090 -9.037 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.731 -8.868 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.862 -9.706 3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.436 -7.021 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.337 -6.649 3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.071 -6.900 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.614 -11.320 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.210 -11.406 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.077 -10.555 1.331 1.00 0.00 H new ATOM 288 N THR A 19 1.646 -6.998 5.750 1.00 0.00 N ATOM 289 CA THR A 19 0.602 -6.058 6.131 1.00 0.00 C ATOM 290 C THR A 19 1.036 -4.669 5.674 1.00 0.00 C ATOM 291 O THR A 19 2.230 -4.405 5.546 1.00 0.00 O ATOM 292 CB THR A 19 0.393 -6.119 7.649 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.049 -7.412 8.014 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.632 -5.108 8.157 1.00 0.00 C ATOM 0 H THR A 19 2.586 -6.623 5.873 1.00 0.00 H new ATOM 0 HA THR A 19 -0.349 -6.305 5.660 1.00 0.00 H new ATOM 0 HB THR A 19 1.355 -5.878 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.181 -7.451 8.984 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.733 -5.204 9.238 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.301 -4.099 7.911 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.596 -5.298 7.685 1.00 0.00 H new ATOM 302 N ILE A 20 0.068 -3.785 5.430 1.00 0.00 N ATOM 303 CA ILE A 20 0.298 -2.444 4.894 1.00 0.00 C ATOM 304 C ILE A 20 -0.493 -1.443 5.730 1.00 0.00 C ATOM 305 O ILE A 20 -1.545 -1.791 6.265 1.00 0.00 O ATOM 306 CB ILE A 20 -0.162 -2.394 3.428 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.523 -3.471 2.572 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.088 -1.009 2.830 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.025 -3.229 2.404 1.00 0.00 C ATOM 0 H ILE A 20 -0.917 -3.986 5.603 1.00 0.00 H new ATOM 0 HA ILE A 20 1.359 -2.196 4.936 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.233 -2.597 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.366 -4.447 3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.052 -3.501 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.245 -0.995 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.466 -0.262 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.153 -0.781 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.455 -4.021 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.186 -2.266 1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.505 -3.227 3.383 1.00 0.00 H new ATOM 321 N THR A 21 0.005 -0.209 5.851 1.00 0.00 N ATOM 322 CA THR A 21 -0.637 0.810 6.673 1.00 0.00 C ATOM 323 C THR A 21 -0.465 2.191 6.051 1.00 0.00 C ATOM 324 O THR A 21 0.591 2.504 5.509 1.00 0.00 O ATOM 325 CB THR A 21 -0.007 0.788 8.071 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.114 -0.507 8.623 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.691 1.767 9.024 1.00 0.00 C ATOM 0 H THR A 21 0.856 0.106 5.385 1.00 0.00 H new ATOM 0 HA THR A 21 -1.704 0.597 6.740 1.00 0.00 H new ATOM 0 HB THR A 21 1.037 1.081 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.032 -0.656 8.933 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.212 1.717 10.002 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.605 2.779 8.629 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.744 1.504 9.122 1.00 0.00 H new ATOM 335 N ILE A 22 -1.509 3.022 6.132 1.00 0.00 N ATOM 336 CA ILE A 22 -1.475 4.407 5.680 1.00 0.00 C ATOM 337 C ILE A 22 -1.213 5.268 6.914 1.00 0.00 C ATOM 338 O ILE A 22 -2.124 5.561 7.684 1.00 0.00 O ATOM 339 CB ILE A 22 -2.787 4.762 4.954 1.00 0.00 C ATOM 340 CG1 ILE A 22 -2.979 6.270 4.777 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.023 4.199 5.666 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.870 6.880 3.927 1.00 0.00 C ATOM 0 H ILE A 22 -2.411 2.743 6.519 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.683 4.583 4.952 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.691 4.298 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.945 6.462 4.309 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.997 6.752 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.920 4.478 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.951 3.113 5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.078 4.606 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.039 7.952 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.907 6.710 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.870 6.415 2.941 1.00 0.00 H new ATOM 354 N LEU A 23 0.042 5.682 7.111 1.00 0.00 N ATOM 355 CA LEU A 23 0.412 6.410 8.319 1.00 0.00 C ATOM 356 C LEU A 23 -0.186 7.815 8.276 1.00 0.00 C ATOM 357 O LEU A 23 -0.450 8.408 9.322 1.00 0.00 O ATOM 358 CB LEU A 23 1.937 6.480 8.482 1.00 0.00 C ATOM 359 CG LEU A 23 2.682 5.278 7.897 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.183 5.530 7.999 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.352 3.986 8.637 1.00 0.00 C ATOM 0 H LEU A 23 0.808 5.526 6.456 1.00 0.00 H new ATOM 0 HA LEU A 23 0.012 5.875 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.302 7.389 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.175 6.561 9.543 1.00 0.00 H new ATOM 0 HG LEU A 23 2.370 5.163 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.724 4.679 7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.440 6.430 7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.460 5.661 9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.903 3.159 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.635 4.084 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.282 3.790 8.567 1.00 0.00 H new ATOM 373 N GLY A 24 -0.402 8.348 7.069 1.00 0.00 N ATOM 374 CA GLY A 24 -1.078 9.623 6.885 1.00 0.00 C ATOM 375 C GLY A 24 -0.720 10.263 5.548 1.00 0.00 C ATOM 376 O GLY A 24 -0.113 9.622 4.689 1.00 0.00 O ATOM 0 H GLY A 24 -0.111 7.904 6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.156 9.474 6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.807 10.299 7.696 1.00 0.00 H new ATOM 380 N VAL A 25 -1.097 11.534 5.375 1.00 0.00 N ATOM 381 CA VAL A 25 -0.781 12.284 4.165 1.00 0.00 C ATOM 382 C VAL A 25 -0.115 13.606 4.527 1.00 0.00 C ATOM 383 O VAL A 25 -0.068 13.995 5.695 1.00 0.00 O ATOM 384 CB VAL A 25 -2.022 12.506 3.280 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.852 11.226 3.148 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.912 13.633 3.805 1.00 0.00 C ATOM 0 H VAL A 25 -1.626 12.065 6.067 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.082 11.690 3.576 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.646 12.793 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.720 11.419 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.243 10.442 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.185 10.905 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.774 13.752 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.253 13.388 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.344 14.563 3.831 1.00 0.00 H new ATOM 396 N SER A 26 0.401 14.292 3.509 1.00 0.00 N ATOM 397 CA SER A 26 1.120 15.548 3.653 1.00 0.00 C ATOM 398 C SER A 26 0.764 16.444 2.469 1.00 0.00 C ATOM 399 O SER A 26 1.635 17.070 1.867 1.00 0.00 O ATOM 400 CB SER A 26 2.620 15.265 3.680 1.00 0.00 C ATOM 401 OG SER A 26 3.018 14.714 4.920 1.00 0.00 O ATOM 0 H SER A 26 0.327 13.980 2.541 1.00 0.00 H new ATOM 0 HA SER A 26 0.844 16.049 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.877 14.577 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.170 16.188 3.497 1.00 0.00 H new ATOM 0 HG SER A 26 3.944 14.973 5.111 1.00 0.00 H new ATOM 407 N GLY A 27 -0.526 16.490 2.142 1.00 0.00 N ATOM 408 CA GLY A 27 -1.016 17.158 0.954 1.00 0.00 C ATOM 409 C GLY A 27 -1.409 16.104 -0.072 1.00 0.00 C ATOM 410 O GLY A 27 -1.921 15.046 0.294 1.00 0.00 O ATOM 0 H GLY A 27 -1.261 16.059 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.873 17.785 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.248 17.815 0.546 1.00 0.00 H new ATOM 414 N GLN A 28 -1.177 16.377 -1.356 1.00 0.00 N ATOM 415 CA GLN A 28 -1.409 15.386 -2.396 1.00 0.00 C ATOM 416 C GLN A 28 -0.327 14.307 -2.399 1.00 0.00 C ATOM 417 O GLN A 28 -0.337 13.421 -3.254 1.00 0.00 O ATOM 418 CB GLN A 28 -1.554 16.070 -3.756 1.00 0.00 C ATOM 419 CG GLN A 28 -2.996 15.889 -4.247 1.00 0.00 C ATOM 420 CD GLN A 28 -3.988 16.590 -3.322 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.535 15.872 -2.341 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.261 17.776 -3.486 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.830 17.274 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.347 14.874 -2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.313 17.130 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.854 15.639 -4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.092 16.289 -5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.234 14.827 -4.301 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.826 18.299 -4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.923 18.238 -2.862 1.00 0.00 H new ATOM 431 N GLN A 29 0.604 14.375 -1.441 1.00 0.00 N ATOM 432 CA GLN A 29 1.545 13.298 -1.204 1.00 0.00 C ATOM 433 C GLN A 29 1.067 12.471 -0.014 1.00 0.00 C ATOM 434 O GLN A 29 0.310 12.957 0.825 1.00 0.00 O ATOM 435 CB GLN A 29 2.957 13.853 -1.023 1.00 0.00 C ATOM 436 CG GLN A 29 3.207 14.438 0.361 1.00 0.00 C ATOM 437 CD GLN A 29 4.630 14.975 0.467 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.154 15.550 -0.484 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.264 14.790 1.619 1.00 0.00 N ATOM 0 H GLN A 29 0.718 15.175 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 29 1.590 12.635 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.678 13.057 -1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.134 14.624 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.495 15.239 0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.044 13.673 1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.796 14.308 2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.218 15.130 1.736 1.00 0.00 H new ATOM 448 N VAL A 30 1.512 11.220 0.055 1.00 0.00 N ATOM 449 CA VAL A 30 0.998 10.237 0.996 1.00 0.00 C ATOM 450 C VAL A 30 2.176 9.487 1.606 1.00 0.00 C ATOM 451 O VAL A 30 3.203 9.321 0.954 1.00 0.00 O ATOM 452 CB VAL A 30 0.070 9.277 0.232 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.523 8.211 1.151 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.100 10.041 -0.389 1.00 0.00 C ATOM 0 H VAL A 30 2.249 10.858 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 30 0.433 10.712 1.798 1.00 0.00 H new ATOM 0 HB VAL A 30 0.681 8.804 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.172 7.553 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.282 7.626 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.102 8.692 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.745 9.345 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.672 10.533 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.718 10.790 -1.083 1.00 0.00 H new ATOM 464 N ARG A 31 2.034 9.029 2.855 1.00 0.00 N ATOM 465 CA ARG A 31 3.090 8.281 3.525 1.00 0.00 C ATOM 466 C ARG A 31 2.519 6.982 4.066 1.00 0.00 C ATOM 467 O ARG A 31 1.518 6.966 4.788 1.00 0.00 O ATOM 468 CB ARG A 31 3.733 9.148 4.603 1.00 0.00 C ATOM 469 CG ARG A 31 5.011 8.483 5.109 1.00 0.00 C ATOM 470 CD ARG A 31 5.841 9.483 5.915 1.00 0.00 C ATOM 471 NE ARG A 31 6.464 10.480 5.032 1.00 0.00 N ATOM 472 CZ ARG A 31 6.101 11.763 4.947 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.095 12.246 5.671 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.755 12.574 4.121 1.00 0.00 N ATOM 0 H ARG A 31 1.195 9.166 3.418 1.00 0.00 H new ATOM 0 HA ARG A 31 3.881 8.018 2.823 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.961 10.135 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.037 9.293 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.761 7.622 5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.594 8.110 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.205 9.984 6.645 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.613 8.954 6.474 1.00 0.00 H new ATOM 0 HE ARG A 31 7.233 10.168 4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.584 11.633 6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.835 13.229 5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.527 12.215 3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.485 13.555 4.049 1.00 0.00 H new ATOM 488 N ILE A 32 3.187 5.891 3.691 1.00 0.00 N ATOM 489 CA ILE A 32 2.691 4.537 3.860 1.00 0.00 C ATOM 490 C ILE A 32 3.771 3.692 4.522 1.00 0.00 C ATOM 491 O ILE A 32 4.959 3.959 4.359 1.00 0.00 O ATOM 492 CB ILE A 32 2.354 3.994 2.457 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.352 4.922 1.750 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.782 2.575 2.524 1.00 0.00 C ATOM 495 CD1 ILE A 32 1.208 4.581 0.266 1.00 0.00 C ATOM 0 H ILE A 32 4.107 5.931 3.253 1.00 0.00 H new ATOM 0 HA ILE A 32 1.803 4.510 4.491 1.00 0.00 H new ATOM 0 HB ILE A 32 3.283 3.961 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.380 4.844 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.679 5.957 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.556 2.226 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.513 1.910 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.869 2.578 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.491 5.260 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.175 4.684 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.855 3.555 0.161 1.00 0.00 H new ATOM 507 N GLY A 33 3.351 2.675 5.270 1.00 0.00 N ATOM 508 CA GLY A 33 4.259 1.766 5.943 1.00 0.00 C ATOM 509 C GLY A 33 3.992 0.345 5.478 1.00 0.00 C ATOM 510 O GLY A 33 2.910 0.036 4.974 1.00 0.00 O ATOM 0 H GLY A 33 2.365 2.462 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.292 2.042 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.128 1.837 7.023 1.00 0.00 H new ATOM 514 N ILE A 34 4.991 -0.518 5.649 1.00 0.00 N ATOM 515 CA ILE A 34 4.931 -1.899 5.210 1.00 0.00 C ATOM 516 C ILE A 34 5.453 -2.758 6.348 1.00 0.00 C ATOM 517 O ILE A 34 6.340 -2.343 7.091 1.00 0.00 O ATOM 518 CB ILE A 34 5.764 -2.066 3.932 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.260 -1.096 2.856 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.679 -3.500 3.416 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.171 -1.087 1.630 1.00 0.00 C ATOM 0 H ILE A 34 5.871 -0.270 6.101 1.00 0.00 H new ATOM 0 HA ILE A 34 3.913 -2.204 4.969 1.00 0.00 H new ATOM 0 HB ILE A 34 6.805 -1.843 4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.250 -1.378 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.200 -0.090 3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.277 -3.597 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.059 -4.183 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.641 -3.746 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.780 -0.388 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.175 -0.780 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.210 -2.087 1.198 1.00 0.00 H new ATOM 533 N ASN A 35 4.903 -3.959 6.474 1.00 0.00 N ATOM 534 CA ASN A 35 5.223 -4.843 7.577 1.00 0.00 C ATOM 535 C ASN A 35 5.362 -6.264 7.052 1.00 0.00 C ATOM 536 O ASN A 35 4.379 -6.998 6.950 1.00 0.00 O ATOM 537 CB ASN A 35 4.132 -4.728 8.642 1.00 0.00 C ATOM 538 CG ASN A 35 4.440 -5.553 9.882 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.555 -6.036 10.061 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.449 -5.716 10.752 1.00 0.00 N ATOM 0 H ASN A 35 4.226 -4.343 5.815 1.00 0.00 H new ATOM 0 HA ASN A 35 6.171 -4.563 8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.014 -3.682 8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.181 -5.053 8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.601 -6.258 11.603 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.536 -5.300 10.569 1.00 0.00 H new ATOM 547 N ALA A 36 6.599 -6.633 6.723 1.00 0.00 N ATOM 548 CA ALA A 36 6.921 -7.933 6.161 1.00 0.00 C ATOM 549 C ALA A 36 8.238 -8.445 6.737 1.00 0.00 C ATOM 550 O ALA A 36 9.064 -7.650 7.191 1.00 0.00 O ATOM 551 CB ALA A 36 7.055 -7.782 4.649 1.00 0.00 C ATOM 0 H ALA A 36 7.411 -6.027 6.843 1.00 0.00 H new ATOM 0 HA ALA A 36 6.133 -8.645 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.297 -8.748 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.114 -7.419 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.849 -7.071 4.423 1.00 0.00 H new ATOM 557 N PRO A 37 8.447 -9.766 6.719 1.00 0.00 N ATOM 558 CA PRO A 37 9.708 -10.373 7.087 1.00 0.00 C ATOM 559 C PRO A 37 10.787 -9.967 6.095 1.00 0.00 C ATOM 560 O PRO A 37 10.492 -9.598 4.962 1.00 0.00 O ATOM 561 CB PRO A 37 9.461 -11.883 7.023 1.00 0.00 C ATOM 562 CG PRO A 37 8.260 -12.041 6.090 1.00 0.00 C ATOM 563 CD PRO A 37 7.472 -10.765 6.332 1.00 0.00 C ATOM 0 HA PRO A 37 10.045 -10.061 8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.333 -12.411 6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.251 -12.292 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.567 -12.135 5.048 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.675 -12.929 6.331 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.936 -10.460 5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.727 -10.908 7.115 1.00 0.00 H new ATOM 571 N LYS A 38 12.054 -10.040 6.515 1.00 0.00 N ATOM 572 CA LYS A 38 13.180 -9.806 5.618 1.00 0.00 C ATOM 573 C LYS A 38 13.244 -10.905 4.558 1.00 0.00 C ATOM 574 O LYS A 38 14.110 -10.899 3.686 1.00 0.00 O ATOM 575 CB LYS A 38 14.475 -9.719 6.433 1.00 0.00 C ATOM 576 CG LYS A 38 14.365 -8.682 7.560 1.00 0.00 C ATOM 577 CD LYS A 38 14.012 -7.287 7.034 1.00 0.00 C ATOM 578 CE LYS A 38 15.150 -6.674 6.219 1.00 0.00 C ATOM 579 NZ LYS A 38 16.311 -6.359 7.072 1.00 0.00 N ATOM 0 H LYS A 38 12.321 -10.260 7.474 1.00 0.00 H new ATOM 0 HA LYS A 38 13.048 -8.858 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.704 -10.696 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.303 -9.455 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.605 -9.002 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.310 -8.635 8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.117 -7.349 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.775 -6.633 7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.451 -7.366 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.800 -5.766 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.981 -5.766 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.991 -5.848 7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.782 -7.241 7.358 1.00 0.00 H new ATOM 593 N ASP A 39 12.307 -11.852 4.648 1.00 0.00 N ATOM 594 CA ASP A 39 12.110 -12.935 3.700 1.00 0.00 C ATOM 595 C ASP A 39 11.634 -12.418 2.340 1.00 0.00 C ATOM 596 O ASP A 39 11.606 -13.173 1.370 1.00 0.00 O ATOM 597 CB ASP A 39 11.055 -13.878 4.278 1.00 0.00 C ATOM 598 CG ASP A 39 11.121 -15.261 3.639 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.198 -15.892 3.733 1.00 0.00 O ATOM 600 OD2 ASP A 39 10.095 -15.680 3.057 1.00 0.00 O ATOM 0 H ASP A 39 11.640 -11.880 5.419 1.00 0.00 H new ATOM 0 HA ASP A 39 13.060 -13.447 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.199 -13.968 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.063 -13.453 4.123 1.00 0.00 H new ATOM 605 N VAL A 40 11.265 -11.133 2.268 1.00 0.00 N ATOM 606 CA VAL A 40 10.739 -10.521 1.055 1.00 0.00 C ATOM 607 C VAL A 40 11.330 -9.129 0.866 1.00 0.00 C ATOM 608 O VAL A 40 11.838 -8.530 1.815 1.00 0.00 O ATOM 609 CB VAL A 40 9.204 -10.447 1.100 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.591 -11.794 1.483 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.716 -9.395 2.100 1.00 0.00 C ATOM 0 H VAL A 40 11.326 -10.490 3.058 1.00 0.00 H new ATOM 0 HA VAL A 40 11.026 -11.143 0.207 1.00 0.00 H new ATOM 0 HB VAL A 40 8.884 -10.169 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.505 -11.706 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.879 -12.547 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.951 -12.091 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.626 -9.373 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.076 -9.647 3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.098 -8.415 1.813 1.00 0.00 H new ATOM 621 N ALA A 41 11.264 -8.618 -0.361 1.00 0.00 N ATOM 622 CA ALA A 41 11.788 -7.303 -0.692 1.00 0.00 C ATOM 623 C ALA A 41 10.653 -6.288 -0.777 1.00 0.00 C ATOM 624 O ALA A 41 9.568 -6.620 -1.253 1.00 0.00 O ATOM 625 CB ALA A 41 12.501 -7.403 -2.042 1.00 0.00 C ATOM 0 H ALA A 41 10.845 -9.107 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 41 12.482 -6.972 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.904 -6.427 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.315 -8.125 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.793 -7.728 -2.804 1.00 0.00 H new ATOM 631 N VAL A 42 10.894 -5.054 -0.328 1.00 0.00 N ATOM 632 CA VAL A 42 9.919 -3.976 -0.458 1.00 0.00 C ATOM 633 C VAL A 42 10.651 -2.662 -0.713 1.00 0.00 C ATOM 634 O VAL A 42 11.556 -2.295 0.037 1.00 0.00 O ATOM 635 CB VAL A 42 9.018 -3.874 0.779 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.217 -5.158 0.977 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.795 -3.628 2.070 1.00 0.00 C ATOM 0 H VAL A 42 11.762 -4.779 0.131 1.00 0.00 H new ATOM 0 HA VAL A 42 9.268 -4.196 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 42 8.366 -3.022 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.586 -5.061 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.592 -5.335 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.901 -5.996 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.100 -3.566 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.492 -4.449 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.349 -2.693 1.989 1.00 0.00 H new ATOM 647 N HIS A 43 10.266 -1.951 -1.776 1.00 0.00 N ATOM 648 CA HIS A 43 10.889 -0.678 -2.121 1.00 0.00 C ATOM 649 C HIS A 43 9.944 0.167 -2.966 1.00 0.00 C ATOM 650 O HIS A 43 8.975 -0.350 -3.525 1.00 0.00 O ATOM 651 CB HIS A 43 12.170 -0.904 -2.940 1.00 0.00 C ATOM 652 CG HIS A 43 13.012 -2.086 -2.535 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.146 -2.030 -1.722 1.00 0.00 N ATOM 654 CD2 HIS A 43 12.799 -3.381 -2.912 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.587 -3.294 -1.631 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.797 -4.123 -2.330 1.00 0.00 N ATOM 0 H HIS A 43 9.523 -2.240 -2.412 1.00 0.00 H new ATOM 0 HA HIS A 43 11.124 -0.168 -1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.892 -1.023 -3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.784 -0.006 -2.873 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.554 -1.202 -1.288 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.003 -3.749 -3.543 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.458 -3.602 -1.072 1.00 0.00 H new ATOM 664 N ARG A 44 10.223 1.468 -3.071 1.00 0.00 N ATOM 665 CA ARG A 44 9.524 2.330 -4.015 1.00 0.00 C ATOM 666 C ARG A 44 10.065 2.038 -5.417 1.00 0.00 C ATOM 667 O ARG A 44 11.156 1.488 -5.561 1.00 0.00 O ATOM 668 CB ARG A 44 9.691 3.804 -3.627 1.00 0.00 C ATOM 669 CG ARG A 44 11.156 4.229 -3.582 1.00 0.00 C ATOM 670 CD ARG A 44 11.263 5.726 -3.289 1.00 0.00 C ATOM 671 NE ARG A 44 12.666 6.136 -3.168 1.00 0.00 N ATOM 672 CZ ARG A 44 13.151 7.321 -3.553 1.00 0.00 C ATOM 673 NH1 ARG A 44 12.365 8.251 -4.082 1.00 0.00 N ATOM 674 NH2 ARG A 44 14.450 7.576 -3.401 1.00 0.00 N ATOM 0 H ARG A 44 10.930 1.944 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 44 8.453 2.127 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.156 4.428 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.235 3.974 -2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.683 3.662 -2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.637 4.002 -4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.782 6.292 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.731 5.959 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 44 13.320 5.468 -2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.369 8.069 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.757 9.148 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.064 6.870 -2.994 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.830 8.477 -3.691 1.00 0.00 H new ATOM 688 N GLU A 45 9.309 2.409 -6.450 1.00 0.00 N ATOM 689 CA GLU A 45 9.699 2.176 -7.836 1.00 0.00 C ATOM 690 C GLU A 45 11.116 2.668 -8.129 1.00 0.00 C ATOM 691 O GLU A 45 11.822 2.066 -8.933 1.00 0.00 O ATOM 692 CB GLU A 45 8.704 2.892 -8.750 1.00 0.00 C ATOM 693 CG GLU A 45 7.451 2.044 -8.972 1.00 0.00 C ATOM 694 CD GLU A 45 7.702 0.878 -9.930 1.00 0.00 C ATOM 695 OE1 GLU A 45 8.760 0.878 -10.602 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.830 -0.015 -9.990 1.00 0.00 O ATOM 0 H GLU A 45 8.410 2.879 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 45 9.689 1.101 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.425 3.850 -8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.176 3.107 -9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.103 1.656 -8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.655 2.673 -9.370 1.00 0.00 H new ATOM 703 N GLU A 46 11.554 3.755 -7.486 1.00 0.00 N ATOM 704 CA GLU A 46 12.856 4.329 -7.787 1.00 0.00 C ATOM 705 C GLU A 46 14.014 3.438 -7.332 1.00 0.00 C ATOM 706 O GLU A 46 15.141 3.631 -7.783 1.00 0.00 O ATOM 707 CB GLU A 46 12.974 5.707 -7.140 1.00 0.00 C ATOM 708 CG GLU A 46 11.878 6.659 -7.628 1.00 0.00 C ATOM 709 CD GLU A 46 11.920 6.835 -9.144 1.00 0.00 C ATOM 710 OE1 GLU A 46 12.919 7.405 -9.636 1.00 0.00 O ATOM 711 OE2 GLU A 46 10.947 6.400 -9.802 1.00 0.00 O ATOM 0 H GLU A 46 11.028 4.246 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 46 12.928 4.416 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.912 5.606 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.952 6.132 -7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.902 6.273 -7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.996 7.629 -7.145 1.00 0.00 H new ATOM 718 N ILE A 47 13.762 2.465 -6.446 1.00 0.00 N ATOM 719 CA ILE A 47 14.778 1.510 -6.020 1.00 0.00 C ATOM 720 C ILE A 47 14.512 0.171 -6.697 1.00 0.00 C ATOM 721 O ILE A 47 15.441 -0.527 -7.099 1.00 0.00 O ATOM 722 CB ILE A 47 14.730 1.340 -4.492 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.462 2.458 -3.745 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.406 0.033 -4.066 1.00 0.00 C ATOM 725 CD1 ILE A 47 14.886 3.839 -4.030 1.00 0.00 C ATOM 0 H ILE A 47 12.851 2.323 -6.010 1.00 0.00 H new ATOM 0 HA ILE A 47 15.766 1.876 -6.301 1.00 0.00 H new ATOM 0 HB ILE A 47 13.670 1.354 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.414 2.264 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.516 2.445 -4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.359 -0.064 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.892 -0.810 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.448 0.042 -4.385 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.446 4.589 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.959 4.051 -5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.840 3.867 -3.725 1.00 0.00 H new ATOM 737 N TYR A 48 13.232 -0.182 -6.819 1.00 0.00 N ATOM 738 CA TYR A 48 12.806 -1.454 -7.369 1.00 0.00 C ATOM 739 C TYR A 48 13.310 -1.654 -8.795 1.00 0.00 C ATOM 740 O TYR A 48 13.569 -2.782 -9.212 1.00 0.00 O ATOM 741 CB TYR A 48 11.280 -1.475 -7.353 1.00 0.00 C ATOM 742 CG TYR A 48 10.699 -2.736 -7.936 1.00 0.00 C ATOM 743 CD1 TYR A 48 10.589 -3.893 -7.155 1.00 0.00 C ATOM 744 CD2 TYR A 48 10.279 -2.735 -9.271 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.046 -5.060 -7.710 1.00 0.00 C ATOM 746 CE2 TYR A 48 9.742 -3.898 -9.836 1.00 0.00 C ATOM 747 CZ TYR A 48 9.614 -5.066 -9.054 1.00 0.00 C ATOM 748 OH TYR A 48 9.076 -6.197 -9.594 1.00 0.00 O ATOM 0 H TYR A 48 12.459 0.419 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 48 13.221 -2.263 -6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.932 -1.363 -6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.905 -0.617 -7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.922 -3.886 -6.128 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.369 -1.838 -9.865 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.958 -5.954 -7.110 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.426 -3.901 -10.869 1.00 0.00 H new ATOM 0 HH TYR A 48 8.830 -6.029 -10.528 1.00 0.00 H new ATOM 1605 N MET C 1 8.660 -2.263 10.678 1.00 0.00 N ATOM 1606 CA MET C 1 7.993 -1.463 9.634 1.00 0.00 C ATOM 1607 C MET C 1 9.022 -0.882 8.673 1.00 0.00 C ATOM 1608 O MET C 1 10.150 -0.600 9.072 1.00 0.00 O ATOM 1609 CB MET C 1 7.203 -0.319 10.267 1.00 0.00 C ATOM 1610 CG MET C 1 6.245 0.365 9.286 1.00 0.00 C ATOM 1611 SD MET C 1 4.666 -0.486 9.089 1.00 0.00 S ATOM 1612 CE MET C 1 3.941 0.087 10.642 1.00 0.00 C ATOM 0 H1 MET C 1 8.290 -1.993 11.612 1.00 0.00 H new ATOM 0 H2 MET C 1 8.476 -3.273 10.512 1.00 0.00 H new ATOM 0 H3 MET C 1 9.685 -2.088 10.648 1.00 0.00 H new ATOM 0 HA MET C 1 7.314 -2.117 9.087 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.634 -0.703 11.113 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.899 0.421 10.661 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.057 1.383 9.627 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.730 0.439 8.313 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.632 -0.772 11.238 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.679 0.667 11.196 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.074 0.712 10.430 1.00 0.00 H new ATOM 1624 N LEU C 2 8.633 -0.698 7.412 1.00 0.00 N ATOM 1625 CA LEU C 2 9.451 -0.047 6.406 1.00 0.00 C ATOM 1626 C LEU C 2 8.559 0.994 5.735 1.00 0.00 C ATOM 1627 O LEU C 2 7.521 0.654 5.172 1.00 0.00 O ATOM 1628 CB LEU C 2 9.988 -1.127 5.461 1.00 0.00 C ATOM 1629 CG LEU C 2 10.879 -0.626 4.318 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.035 -0.121 3.150 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.840 0.469 4.773 1.00 0.00 C ATOM 0 H LEU C 2 7.725 -1.004 7.062 1.00 0.00 H new ATOM 0 HA LEU C 2 10.325 0.469 6.804 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.554 -1.849 6.049 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.141 -1.661 5.030 1.00 0.00 H new ATOM 0 HG LEU C 2 11.474 -1.478 3.989 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.690 0.229 2.352 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.409 -0.931 2.776 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.403 0.700 3.487 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.450 0.792 3.929 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.271 1.317 5.155 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.486 0.082 5.561 1.00 0.00 H new ATOM 1643 N ILE C 3 8.962 2.269 5.795 1.00 0.00 N ATOM 1644 CA ILE C 3 8.123 3.373 5.368 1.00 0.00 C ATOM 1645 C ILE C 3 8.606 3.939 4.042 1.00 0.00 C ATOM 1646 O ILE C 3 9.801 3.942 3.748 1.00 0.00 O ATOM 1647 CB ILE C 3 8.090 4.468 6.447 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.285 4.010 7.665 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.420 5.745 5.937 1.00 0.00 C ATOM 1650 CD1 ILE C 3 8.108 3.175 8.633 1.00 0.00 C ATOM 0 H ILE C 3 9.878 2.554 6.141 1.00 0.00 H new ATOM 0 HA ILE C 3 7.110 2.998 5.224 1.00 0.00 H new ATOM 0 HB ILE C 3 9.130 4.663 6.711 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.895 4.884 8.187 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.426 3.429 7.330 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.416 6.495 6.728 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.971 6.127 5.078 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.394 5.525 5.641 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.486 2.878 9.477 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.477 2.285 8.123 1.00 0.00 H new ATOM 0 HD13 ILE C 3 8.952 3.763 8.993 1.00 0.00 H new ATOM 1662 N LEU C 4 7.644 4.412 3.253 1.00 0.00 N ATOM 1663 CA LEU C 4 7.863 5.004 1.949 1.00 0.00 C ATOM 1664 C LEU C 4 6.890 6.162 1.772 1.00 0.00 C ATOM 1665 O LEU C 4 5.846 6.212 2.421 1.00 0.00 O ATOM 1666 CB LEU C 4 7.648 3.952 0.855 1.00 0.00 C ATOM 1667 CG LEU C 4 8.711 2.849 0.889 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.361 1.790 -0.149 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.093 3.405 0.544 1.00 0.00 C ATOM 0 H LEU C 4 6.660 4.390 3.519 1.00 0.00 H new ATOM 0 HA LEU C 4 8.886 5.372 1.872 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.661 3.505 0.973 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.663 4.438 -0.121 1.00 0.00 H new ATOM 0 HG LEU C 4 8.732 2.429 1.894 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.113 1.001 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.384 1.365 0.080 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.336 2.245 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.827 2.600 0.576 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.072 3.837 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.366 4.174 1.266 1.00 0.00 H new ATOM 1681 N THR C 5 7.237 7.096 0.889 1.00 0.00 N ATOM 1682 CA THR C 5 6.421 8.272 0.639 1.00 0.00 C ATOM 1683 C THR C 5 6.154 8.369 -0.854 1.00 0.00 C ATOM 1684 O THR C 5 7.021 8.051 -1.674 1.00 0.00 O ATOM 1685 CB THR C 5 7.124 9.512 1.189 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.519 9.282 2.522 1.00 0.00 O ATOM 1687 CG2 THR C 5 6.190 10.719 1.195 1.00 0.00 C ATOM 0 H THR C 5 8.090 7.055 0.331 1.00 0.00 H new ATOM 0 HA THR C 5 5.461 8.197 1.150 1.00 0.00 H new ATOM 0 HB THR C 5 7.983 9.712 0.549 1.00 0.00 H new ATOM 0 HG1 THR C 5 8.328 9.800 2.717 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.718 11.586 1.592 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.860 10.929 0.177 1.00 0.00 H new ATOM 0 HG23 THR C 5 5.323 10.505 1.820 1.00 0.00 H new ATOM 1695 N ARG C 6 4.947 8.812 -1.206 1.00 0.00 N ATOM 1696 CA ARG C 6 4.457 8.781 -2.571 1.00 0.00 C ATOM 1697 C ARG C 6 3.588 9.998 -2.853 1.00 0.00 C ATOM 1698 O ARG C 6 3.314 10.787 -1.954 1.00 0.00 O ATOM 1699 CB ARG C 6 3.628 7.498 -2.695 1.00 0.00 C ATOM 1700 CG ARG C 6 3.540 6.891 -4.099 1.00 0.00 C ATOM 1701 CD ARG C 6 4.877 6.351 -4.609 1.00 0.00 C ATOM 1702 NE ARG C 6 5.721 7.394 -5.197 1.00 0.00 N ATOM 1703 CZ ARG C 6 6.867 7.162 -5.839 1.00 0.00 C ATOM 1704 NH1 ARG C 6 7.314 5.919 -6.009 1.00 0.00 N ATOM 1705 NH2 ARG C 6 7.572 8.184 -6.313 1.00 0.00 N ATOM 0 H ARG C 6 4.281 9.205 -0.541 1.00 0.00 H new ATOM 0 HA ARG C 6 5.279 8.798 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG C 6 4.049 6.750 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG C 6 2.617 7.707 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG C 6 2.808 6.083 -4.093 1.00 0.00 H new ATOM 0 HG3 ARG C 6 3.173 7.648 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.412 5.879 -3.785 1.00 0.00 H new ATOM 0 HD3 ARG C 6 4.691 5.577 -5.354 1.00 0.00 H new ATOM 0 HE ARG C 6 5.412 8.362 -5.110 1.00 0.00 H new ATOM 0 HH11 ARG C 6 6.778 5.130 -5.646 1.00 0.00 H new ATOM 0 HH12 ARG C 6 8.192 5.756 -6.502 1.00 0.00 H new ATOM 0 HH21 ARG C 6 7.236 9.138 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG C 6 8.449 8.014 -6.805 1.00 0.00 H new ATOM 1719 N LYS C 7 3.157 10.146 -4.103 1.00 0.00 N ATOM 1720 CA LYS C 7 2.214 11.167 -4.518 1.00 0.00 C ATOM 1721 C LYS C 7 1.178 10.509 -5.413 1.00 0.00 C ATOM 1722 O LYS C 7 1.453 9.482 -6.034 1.00 0.00 O ATOM 1723 CB LYS C 7 2.935 12.292 -5.260 1.00 0.00 C ATOM 1724 CG LYS C 7 3.264 13.471 -4.347 1.00 0.00 C ATOM 1725 CD LYS C 7 3.754 14.641 -5.202 1.00 0.00 C ATOM 1726 CE LYS C 7 3.699 15.952 -4.422 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.709 16.006 -3.351 1.00 0.00 N ATOM 0 H LYS C 7 3.463 9.544 -4.868 1.00 0.00 H new ATOM 0 HA LYS C 7 1.729 11.609 -3.648 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.856 11.905 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.312 12.637 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS C 7 2.382 13.764 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS C 7 4.029 13.186 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.776 14.452 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS C 7 3.140 14.722 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS C 7 3.853 16.786 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS C 7 2.706 16.074 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 4.258 16.305 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.132 15.064 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 5.452 16.687 -3.608 1.00 0.00 H new ATOM 1741 N VAL C 8 -0.020 11.092 -5.483 1.00 0.00 N ATOM 1742 CA VAL C 8 -1.090 10.470 -6.239 1.00 0.00 C ATOM 1743 C VAL C 8 -0.668 10.253 -7.688 1.00 0.00 C ATOM 1744 O VAL C 8 -0.222 11.182 -8.366 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.393 11.256 -6.113 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.801 11.285 -4.642 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.325 12.697 -6.614 1.00 0.00 C ATOM 0 H VAL C 8 -0.264 11.975 -5.034 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.288 9.486 -5.814 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.116 10.743 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.731 11.843 -4.533 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.946 10.266 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -2.018 11.767 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.296 13.174 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.573 13.245 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -2.057 12.703 -7.671 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.813 9.011 -8.160 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.455 8.638 -9.522 1.00 0.00 C ATOM 1759 C GLY C 9 0.867 7.876 -9.618 1.00 0.00 C ATOM 1760 O GLY C 9 1.335 7.615 -10.726 1.00 0.00 O ATOM 0 H GLY C 9 -1.182 8.239 -7.604 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.251 8.024 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.391 9.539 -10.132 1.00 0.00 H new ATOM 1764 N GLU C 10 1.477 7.511 -8.483 1.00 0.00 N ATOM 1765 CA GLU C 10 2.750 6.794 -8.469 1.00 0.00 C ATOM 1766 C GLU C 10 2.597 5.419 -7.805 1.00 0.00 C ATOM 1767 O GLU C 10 1.502 5.062 -7.370 1.00 0.00 O ATOM 1768 CB GLU C 10 3.814 7.639 -7.766 1.00 0.00 C ATOM 1769 CG GLU C 10 4.000 9.000 -8.435 1.00 0.00 C ATOM 1770 CD GLU C 10 5.062 9.827 -7.710 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.084 9.787 -6.457 1.00 0.00 O ATOM 1772 OE2 GLU C 10 5.846 10.494 -8.423 1.00 0.00 O ATOM 0 H GLU C 10 1.101 7.705 -7.555 1.00 0.00 H new ATOM 0 HA GLU C 10 3.071 6.623 -9.497 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.531 7.783 -6.723 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.762 7.102 -7.768 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.291 8.861 -9.476 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.053 9.540 -8.438 1.00 0.00 H new ATOM 1779 N SER C 11 3.680 4.636 -7.725 1.00 0.00 N ATOM 1780 CA SER C 11 3.595 3.246 -7.278 1.00 0.00 C ATOM 1781 C SER C 11 4.719 2.833 -6.325 1.00 0.00 C ATOM 1782 O SER C 11 5.695 3.561 -6.124 1.00 0.00 O ATOM 1783 CB SER C 11 3.615 2.337 -8.509 1.00 0.00 C ATOM 1784 OG SER C 11 2.525 2.622 -9.359 1.00 0.00 O ATOM 0 H SER C 11 4.623 4.944 -7.964 1.00 0.00 H new ATOM 0 HA SER C 11 2.666 3.146 -6.716 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.551 2.472 -9.052 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.576 1.293 -8.197 1.00 0.00 H new ATOM 0 HG SER C 11 2.556 2.032 -10.141 1.00 0.00 H new ATOM 1790 N ILE C 12 4.556 1.639 -5.741 1.00 0.00 N ATOM 1791 CA ILE C 12 5.456 1.004 -4.780 1.00 0.00 C ATOM 1792 C ILE C 12 5.458 -0.496 -5.081 1.00 0.00 C ATOM 1793 O ILE C 12 4.556 -0.977 -5.764 1.00 0.00 O ATOM 1794 CB ILE C 12 4.977 1.298 -3.351 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.193 2.792 -3.070 1.00 0.00 C ATOM 1796 CG2 ILE C 12 5.703 0.441 -2.307 1.00 0.00 C ATOM 1797 CD1 ILE C 12 4.846 3.170 -1.635 1.00 0.00 C ATOM 0 H ILE C 12 3.742 1.058 -5.942 1.00 0.00 H new ATOM 0 HA ILE C 12 6.471 1.393 -4.864 1.00 0.00 H new ATOM 0 HB ILE C 12 3.920 1.044 -3.275 1.00 0.00 H new ATOM 0 HG12 ILE C 12 6.233 3.050 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE C 12 4.582 3.380 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.330 0.685 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.523 -0.614 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE C 12 6.773 0.642 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE C 12 5.016 4.237 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE C 12 3.798 2.940 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE C 12 5.475 2.604 -0.948 1.00 0.00 H new ATOM 1809 N ASN C 13 6.449 -1.245 -4.598 1.00 0.00 N ATOM 1810 CA ASN C 13 6.604 -2.642 -4.985 1.00 0.00 C ATOM 1811 C ASN C 13 6.884 -3.566 -3.801 1.00 0.00 C ATOM 1812 O ASN C 13 7.425 -3.142 -2.780 1.00 0.00 O ATOM 1813 CB ASN C 13 7.751 -2.736 -5.993 1.00 0.00 C ATOM 1814 CG ASN C 13 7.568 -1.758 -7.146 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.110 -0.658 -7.116 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.808 -2.144 -8.163 1.00 0.00 N ATOM 0 H ASN C 13 7.152 -0.907 -3.941 1.00 0.00 H new ATOM 0 HA ASN C 13 5.662 -2.975 -5.420 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.696 -2.532 -5.489 1.00 0.00 H new ATOM 0 HB3 ASN C 13 7.810 -3.752 -6.383 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.659 -1.518 -8.954 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.373 -3.067 -8.153 1.00 0.00 H new ATOM 1823 N ILE C 14 6.502 -4.840 -3.956 1.00 0.00 N ATOM 1824 CA ILE C 14 6.681 -5.883 -2.951 1.00 0.00 C ATOM 1825 C ILE C 14 7.032 -7.189 -3.660 1.00 0.00 C ATOM 1826 O ILE C 14 6.418 -7.536 -4.669 1.00 0.00 O ATOM 1827 CB ILE C 14 5.394 -6.070 -2.140 1.00 0.00 C ATOM 1828 CG1 ILE C 14 4.997 -4.759 -1.444 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.583 -7.193 -1.111 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.691 -4.894 -0.665 1.00 0.00 C ATOM 0 H ILE C 14 6.050 -5.177 -4.806 1.00 0.00 H new ATOM 0 HA ILE C 14 7.482 -5.596 -2.269 1.00 0.00 H new ATOM 0 HB ILE C 14 4.589 -6.349 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.793 -4.454 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.894 -3.970 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.664 -7.320 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.821 -8.123 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.399 -6.934 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.451 -3.943 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.888 -5.172 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.801 -5.663 0.099 1.00 0.00 H new ATOM 1842 N GLY C 15 8.020 -7.914 -3.127 1.00 0.00 N ATOM 1843 CA GLY C 15 8.464 -9.171 -3.706 1.00 0.00 C ATOM 1844 C GLY C 15 8.815 -9.003 -5.179 1.00 0.00 C ATOM 1845 O GLY C 15 9.327 -7.959 -5.588 1.00 0.00 O ATOM 0 H GLY C 15 8.528 -7.642 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.334 -9.539 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.680 -9.921 -3.599 1.00 0.00 H new ATOM 1849 N ASP C 16 8.534 -10.031 -5.977 1.00 0.00 N ATOM 1850 CA ASP C 16 8.750 -10.012 -7.418 1.00 0.00 C ATOM 1851 C ASP C 16 7.446 -10.344 -8.152 1.00 0.00 C ATOM 1852 O ASP C 16 7.466 -10.658 -9.344 1.00 0.00 O ATOM 1853 CB ASP C 16 9.906 -10.945 -7.794 1.00 0.00 C ATOM 1854 CG ASP C 16 9.613 -12.408 -7.470 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.526 -12.734 -6.262 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.480 -13.197 -8.434 1.00 0.00 O ATOM 0 H ASP C 16 8.145 -10.910 -5.635 1.00 0.00 H new ATOM 0 HA ASP C 16 9.042 -9.011 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP C 16 10.114 -10.848 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.806 -10.633 -7.264 1.00 0.00 H new ATOM 1861 N ASP C 17 6.317 -10.276 -7.438 1.00 0.00 N ATOM 1862 CA ASP C 17 5.003 -10.592 -7.984 1.00 0.00 C ATOM 1863 C ASP C 17 3.935 -9.576 -7.567 1.00 0.00 C ATOM 1864 O ASP C 17 2.779 -9.741 -7.944 1.00 0.00 O ATOM 1865 CB ASP C 17 4.571 -11.989 -7.526 1.00 0.00 C ATOM 1866 CG ASP C 17 5.522 -13.081 -8.011 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.507 -13.354 -9.233 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.252 -13.632 -7.158 1.00 0.00 O ATOM 0 H ASP C 17 6.295 -9.997 -6.457 1.00 0.00 H new ATOM 0 HA ASP C 17 5.092 -10.556 -9.070 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.521 -12.012 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.567 -12.195 -7.896 1.00 0.00 H new ATOM 1873 N ILE C 18 4.286 -8.536 -6.801 1.00 0.00 N ATOM 1874 CA ILE C 18 3.285 -7.584 -6.332 1.00 0.00 C ATOM 1875 C ILE C 18 3.746 -6.140 -6.525 1.00 0.00 C ATOM 1876 O ILE C 18 4.928 -5.826 -6.408 1.00 0.00 O ATOM 1877 CB ILE C 18 2.946 -7.840 -4.854 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.485 -9.281 -4.596 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.832 -6.889 -4.397 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.664 -10.140 -4.136 1.00 0.00 C ATOM 0 H ILE C 18 5.240 -8.338 -6.499 1.00 0.00 H new ATOM 0 HA ILE C 18 2.387 -7.731 -6.932 1.00 0.00 H new ATOM 0 HB ILE C 18 3.863 -7.666 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.702 -9.290 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE C 18 2.053 -9.700 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.599 -7.078 -3.349 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.163 -5.857 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.941 -7.055 -5.002 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.323 -11.160 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.433 -10.145 -4.908 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.077 -9.728 -3.215 1.00 0.00 H new ATOM 1892 N THR C 19 2.782 -5.268 -6.825 1.00 0.00 N ATOM 1893 CA THR C 19 2.984 -3.834 -6.964 1.00 0.00 C ATOM 1894 C THR C 19 1.772 -3.131 -6.356 1.00 0.00 C ATOM 1895 O THR C 19 0.696 -3.717 -6.252 1.00 0.00 O ATOM 1896 CB THR C 19 3.169 -3.492 -8.447 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.373 -4.068 -8.908 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.243 -1.986 -8.705 1.00 0.00 C ATOM 0 H THR C 19 1.815 -5.552 -6.981 1.00 0.00 H new ATOM 0 HA THR C 19 3.880 -3.500 -6.441 1.00 0.00 H new ATOM 0 HB THR C 19 2.299 -3.886 -8.973 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.496 -3.854 -9.856 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.374 -1.806 -9.772 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.320 -1.513 -8.368 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.087 -1.564 -8.159 1.00 0.00 H new ATOM 1906 N ILE C 20 1.949 -1.871 -5.953 1.00 0.00 N ATOM 1907 CA ILE C 20 0.928 -1.067 -5.296 1.00 0.00 C ATOM 1908 C ILE C 20 0.889 0.291 -5.984 1.00 0.00 C ATOM 1909 O ILE C 20 1.915 0.757 -6.477 1.00 0.00 O ATOM 1910 CB ILE C 20 1.296 -0.902 -3.813 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.464 -2.250 -3.102 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.252 -0.054 -3.085 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.152 -3.024 -2.968 1.00 0.00 C ATOM 0 H ILE C 20 2.830 -1.373 -6.080 1.00 0.00 H new ATOM 0 HA ILE C 20 -0.050 -1.545 -5.362 1.00 0.00 H new ATOM 0 HB ILE C 20 2.258 -0.390 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.183 -2.857 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE C 20 1.883 -2.081 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.534 0.049 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.199 0.933 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.722 -0.539 -3.153 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.337 -3.969 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.561 -2.434 -2.393 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.256 -3.222 -3.959 1.00 0.00 H new ATOM 1925 N THR C 21 -0.279 0.931 -6.024 1.00 0.00 N ATOM 1926 CA THR C 21 -0.429 2.218 -6.690 1.00 0.00 C ATOM 1927 C THR C 21 -1.402 3.104 -5.919 1.00 0.00 C ATOM 1928 O THR C 21 -2.463 2.654 -5.491 1.00 0.00 O ATOM 1929 CB THR C 21 -0.942 2.004 -8.120 1.00 0.00 C ATOM 1930 OG1 THR C 21 -0.079 1.134 -8.821 1.00 0.00 O ATOM 1931 CG2 THR C 21 -1.001 3.320 -8.889 1.00 0.00 C ATOM 0 H THR C 21 -1.136 0.575 -5.601 1.00 0.00 H new ATOM 0 HA THR C 21 0.542 2.712 -6.724 1.00 0.00 H new ATOM 0 HB THR C 21 -1.943 1.578 -8.044 1.00 0.00 H new ATOM 0 HG1 THR C 21 0.767 1.592 -9.007 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.368 3.135 -9.899 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.673 4.010 -8.379 1.00 0.00 H new ATOM 0 HG23 THR C 21 -0.004 3.757 -8.940 1.00 0.00 H new ATOM 1939 N ILE C 22 -1.031 4.372 -5.741 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.843 5.363 -5.050 1.00 0.00 C ATOM 1941 C ILE C 22 -2.662 6.116 -6.095 1.00 0.00 C ATOM 1942 O ILE C 22 -2.218 7.126 -6.633 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.923 6.249 -4.189 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.592 7.506 -3.631 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.319 6.708 -4.952 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.892 7.197 -2.905 1.00 0.00 C ATOM 0 H ILE C 22 -0.143 4.741 -6.080 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.556 4.916 -4.358 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.657 5.594 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.907 8.006 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.791 8.201 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.936 7.330 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE C 22 0.892 5.838 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.017 7.285 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.327 8.123 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.590 6.722 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.692 6.524 -2.071 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.872 5.623 -6.389 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.663 6.161 -7.489 1.00 0.00 C ATOM 1960 C LEU C 23 -5.086 7.605 -7.204 1.00 0.00 C ATOM 1961 O LEU C 23 -5.327 8.369 -8.137 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.897 5.294 -7.775 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.766 3.814 -7.404 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -7.117 3.129 -7.607 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.727 3.105 -8.266 1.00 0.00 C ATOM 0 H LEU C 23 -4.317 4.858 -5.881 1.00 0.00 H new ATOM 0 HA LEU C 23 -4.031 6.150 -8.377 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.746 5.712 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.130 5.365 -8.837 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.447 3.755 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -7.033 2.074 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.864 3.603 -6.970 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.418 3.221 -8.650 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.664 2.057 -7.972 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -5.018 3.171 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.755 3.580 -8.129 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.180 7.973 -5.922 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.479 9.336 -5.512 1.00 0.00 C ATOM 1979 C GLY C 24 -6.032 9.393 -4.091 1.00 0.00 C ATOM 1980 O GLY C 24 -6.020 8.392 -3.377 1.00 0.00 O ATOM 0 H GLY C 24 -5.049 7.328 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.574 9.941 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.202 9.772 -6.201 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.519 10.570 -3.687 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.148 10.760 -2.383 1.00 0.00 C ATOM 1986 C VAL C 25 -8.480 11.482 -2.555 1.00 0.00 C ATOM 1987 O VAL C 25 -8.791 11.967 -3.643 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.221 11.505 -1.406 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.814 10.906 -1.411 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.117 12.999 -1.718 1.00 0.00 C ATOM 0 H VAL C 25 -6.487 11.415 -4.257 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.337 9.780 -1.944 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.672 11.387 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.183 11.454 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.863 9.859 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.392 10.978 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.451 13.475 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.720 13.134 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.106 13.454 -1.654 1.00 0.00 H new ATOM 2000 N SER C 26 -9.273 11.556 -1.481 1.00 0.00 N ATOM 2001 CA SER C 26 -10.597 12.171 -1.510 1.00 0.00 C ATOM 2002 C SER C 26 -10.857 12.849 -0.171 1.00 0.00 C ATOM 2003 O SER C 26 -11.914 12.683 0.435 1.00 0.00 O ATOM 2004 CB SER C 26 -11.642 11.092 -1.802 1.00 0.00 C ATOM 2005 OG SER C 26 -12.702 11.634 -2.555 1.00 0.00 O ATOM 0 H SER C 26 -9.011 11.189 -0.566 1.00 0.00 H new ATOM 0 HA SER C 26 -10.656 12.926 -2.294 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.182 10.268 -2.348 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.023 10.682 -0.867 1.00 0.00 H new ATOM 0 HG SER C 26 -13.364 10.935 -2.738 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.869 13.620 0.288 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.859 14.206 1.610 1.00 0.00 C ATOM 2013 C GLY C 27 -8.860 13.440 2.467 1.00 0.00 C ATOM 2014 O GLY C 27 -7.816 13.016 1.965 1.00 0.00 O ATOM 0 H GLY C 27 -9.044 13.852 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.583 15.259 1.556 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.854 14.159 2.053 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.159 13.252 3.756 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.299 12.461 4.628 1.00 0.00 C ATOM 2020 C GLN C 28 -8.508 10.961 4.409 1.00 0.00 C ATOM 2021 O GLN C 28 -7.984 10.135 5.164 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.489 12.891 6.082 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.177 13.471 6.618 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.778 14.744 5.876 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -5.971 14.614 4.822 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -7.198 15.834 6.254 1.00 0.00 N flip ATOM 0 H GLN C 28 -9.986 13.636 4.213 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.257 12.652 4.371 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.283 13.634 6.152 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.796 12.038 6.687 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.282 13.687 7.681 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.384 12.729 6.520 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -7.814 15.890 7.065 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -6.931 16.684 5.757 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.276 10.604 3.373 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.360 9.234 2.903 1.00 0.00 C ATOM 2037 C GLN C 29 -8.478 9.093 1.661 1.00 0.00 C ATOM 2038 O GLN C 29 -8.160 10.080 1.003 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.805 8.803 2.629 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.469 9.561 1.485 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.714 8.816 1.004 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -12.817 8.463 -0.166 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.666 8.569 1.900 1.00 0.00 N ATOM 0 H GLN C 29 -9.851 11.260 2.845 1.00 0.00 H new ATOM 0 HA GLN C 29 -8.999 8.565 3.684 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.819 7.737 2.402 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.394 8.944 3.535 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.742 10.563 1.815 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.766 9.677 0.660 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.550 8.876 2.866 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.512 8.072 1.621 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.084 7.861 1.347 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.115 7.576 0.302 1.00 0.00 C ATOM 2054 C VAL C 30 -7.607 6.397 -0.532 1.00 0.00 C ATOM 2055 O VAL C 30 -8.296 5.520 -0.015 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.765 7.271 0.965 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.704 6.953 -0.081 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.269 8.477 1.769 1.00 0.00 C ATOM 0 H VAL C 30 -8.434 7.027 1.818 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.994 8.430 -0.364 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.920 6.414 1.620 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.757 6.741 0.415 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -5.014 6.083 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.582 7.807 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.311 8.238 2.230 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.148 9.333 1.105 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.994 8.720 2.545 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.248 6.380 -1.818 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.686 5.364 -2.761 1.00 0.00 C ATOM 2070 C ARG C 31 -6.466 4.719 -3.398 1.00 0.00 C ATOM 2071 O ARG C 31 -5.637 5.394 -4.013 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.587 6.010 -3.807 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.351 4.959 -4.607 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.271 5.704 -5.571 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.205 4.805 -6.249 1.00 0.00 N ATOM 2076 CZ ARG C 31 -11.445 4.812 -7.566 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -10.777 5.609 -8.391 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.366 4.006 -8.074 1.00 0.00 N ATOM 0 H ARG C 31 -6.637 7.083 -2.233 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.257 4.587 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.293 6.681 -3.317 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -7.985 6.618 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.661 4.316 -5.153 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.929 4.316 -3.943 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.831 6.462 -5.023 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -9.669 6.227 -6.314 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.708 4.126 -5.679 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.061 6.236 -8.025 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -10.980 5.594 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -12.891 3.381 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -12.550 4.010 -9.077 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.365 3.400 -3.243 1.00 0.00 N ATOM 2093 CA ILE C 32 -5.154 2.664 -3.573 1.00 0.00 C ATOM 2094 C ILE C 32 -5.521 1.371 -4.283 1.00 0.00 C ATOM 2095 O ILE C 32 -6.528 0.740 -3.971 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.394 2.381 -2.269 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -3.787 3.685 -1.742 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.278 1.351 -2.453 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.472 3.592 -0.251 1.00 0.00 C ATOM 0 H ILE C 32 -7.121 2.816 -2.886 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.519 3.245 -4.241 1.00 0.00 H new ATOM 0 HB ILE C 32 -5.111 1.969 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -2.875 3.913 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -4.480 4.508 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.773 1.188 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.705 0.411 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.560 1.719 -3.186 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.043 4.534 0.090 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.389 3.390 0.303 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.759 2.786 -0.079 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.678 0.987 -5.237 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.848 -0.225 -6.005 1.00 0.00 C ATOM 2113 C GLY C 33 -3.694 -1.173 -5.713 1.00 0.00 C ATOM 2114 O GLY C 33 -2.649 -0.767 -5.203 1.00 0.00 O ATOM 0 H GLY C 33 -3.849 1.522 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.796 -0.699 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.882 0.007 -7.069 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.900 -2.446 -6.046 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.952 -3.505 -5.784 1.00 0.00 C ATOM 2120 C ILE C 34 -2.853 -4.328 -7.060 1.00 0.00 C ATOM 2121 O ILE C 34 -3.828 -4.470 -7.794 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.438 -4.341 -4.591 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.608 -3.433 -3.364 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.457 -5.468 -4.272 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.243 -4.166 -2.186 1.00 0.00 C ATOM 0 H ILE C 34 -4.748 -2.767 -6.513 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.966 -3.122 -5.520 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.396 -4.791 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.635 -3.044 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.226 -2.576 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.827 -6.043 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.360 -6.122 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.483 -5.044 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.342 -3.482 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.228 -4.533 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.613 -5.007 -1.899 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.671 -4.866 -7.323 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.391 -5.528 -8.582 1.00 0.00 C ATOM 2139 C ASN C 35 -0.584 -6.788 -8.308 1.00 0.00 C ATOM 2140 O ASN C 35 0.644 -6.755 -8.253 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.644 -4.562 -9.503 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.380 -5.171 -10.874 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -0.924 -6.213 -11.224 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.466 -4.517 -11.662 1.00 0.00 N ATOM 0 H ASN C 35 -0.886 -4.855 -6.672 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.315 -5.819 -9.082 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.226 -3.648 -9.618 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.303 -4.281 -9.042 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.681 -4.879 -12.591 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.900 -3.653 -11.338 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.297 -7.896 -8.136 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.705 -9.184 -7.831 1.00 0.00 C ATOM 2153 C ALA C 36 -1.464 -10.290 -8.551 1.00 0.00 C ATOM 2154 O ALA C 36 -2.633 -10.113 -8.897 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.777 -9.418 -6.322 1.00 0.00 C ATOM 0 H ALA C 36 -2.314 -7.920 -8.206 1.00 0.00 H new ATOM 0 HA ALA C 36 0.334 -9.194 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.334 -10.385 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.230 -8.630 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -1.819 -9.407 -6.001 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.812 -11.432 -8.783 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.458 -12.606 -9.322 1.00 0.00 C ATOM 2163 C PRO C 37 -2.492 -13.128 -8.329 1.00 0.00 C ATOM 2164 O PRO C 37 -2.406 -12.849 -7.133 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.334 -13.626 -9.519 1.00 0.00 C ATOM 2166 CG PRO C 37 0.776 -13.174 -8.573 1.00 0.00 C ATOM 2167 CD PRO C 37 0.598 -11.668 -8.536 1.00 0.00 C ATOM 0 HA PRO C 37 -1.983 -12.402 -10.255 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.670 -14.635 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO C 37 0.010 -13.640 -10.553 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.669 -13.618 -7.583 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.762 -13.455 -8.943 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.899 -11.262 -7.570 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.214 -11.182 -9.292 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.472 -13.892 -8.817 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.439 -14.555 -7.948 1.00 0.00 C ATOM 2177 C LYS C 38 -3.741 -15.629 -7.115 1.00 0.00 C ATOM 2178 O LYS C 38 -4.369 -16.309 -6.307 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.581 -15.131 -8.795 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.223 -14.054 -9.680 1.00 0.00 C ATOM 2181 CD LYS C 38 -6.823 -12.906 -8.869 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.122 -13.309 -8.167 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.209 -13.537 -9.138 1.00 0.00 N ATOM 0 H LYS C 38 -3.614 -14.065 -9.812 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.872 -13.835 -7.253 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.200 -15.938 -9.421 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.338 -15.565 -8.141 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.473 -13.657 -10.364 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.003 -14.509 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -6.099 -12.572 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.016 -12.060 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -7.957 -14.215 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -8.416 -12.528 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.123 -13.540 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -9.204 -12.778 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.068 -14.454 -9.608 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.433 -15.768 -7.333 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.541 -16.645 -6.595 1.00 0.00 C ATOM 2199 C ASP C 39 -1.384 -16.193 -5.142 1.00 0.00 C ATOM 2200 O ASP C 39 -0.850 -16.936 -4.320 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.175 -16.613 -7.281 1.00 0.00 C ATOM 2202 CG ASP C 39 0.678 -17.823 -6.917 1.00 0.00 C ATOM 2203 OD1 ASP C 39 0.206 -18.960 -7.165 1.00 0.00 O ATOM 2204 OD2 ASP C 39 1.791 -17.609 -6.392 1.00 0.00 O ATOM 0 H ASP C 39 -1.950 -15.245 -8.064 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.959 -17.652 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.313 -16.579 -8.362 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.351 -15.701 -6.998 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.846 -14.977 -4.828 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.729 -14.399 -3.494 1.00 0.00 C ATOM 2211 C VAL C 40 -3.043 -13.729 -3.104 1.00 0.00 C ATOM 2212 O VAL C 40 -3.873 -13.415 -3.955 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.570 -13.387 -3.431 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.709 -13.976 -4.025 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.905 -12.101 -4.181 1.00 0.00 C ATOM 0 H VAL C 40 -2.313 -14.367 -5.499 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.513 -15.200 -2.787 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.415 -13.158 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.510 -13.239 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.994 -14.867 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.537 -14.243 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.064 -11.411 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.103 -12.331 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.788 -11.640 -3.737 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.231 -13.515 -1.802 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.450 -12.927 -1.279 1.00 0.00 C ATOM 2227 C ALA C 41 -4.217 -11.461 -0.914 1.00 0.00 C ATOM 2228 O ALA C 41 -3.155 -11.120 -0.399 1.00 0.00 O ATOM 2229 CB ALA C 41 -4.851 -13.731 -0.044 1.00 0.00 C ATOM 0 H ALA C 41 -2.541 -13.746 -1.087 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.243 -12.957 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -5.767 -13.317 0.378 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.019 -14.771 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.054 -13.680 0.698 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.204 -10.601 -1.179 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.138 -9.196 -0.776 1.00 0.00 C ATOM 2237 C VAL C 42 -6.540 -8.721 -0.402 1.00 0.00 C ATOM 2238 O VAL C 42 -7.461 -8.811 -1.207 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.534 -8.325 -1.890 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.078 -8.713 -2.146 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.265 -8.451 -3.226 1.00 0.00 C ATOM 0 H VAL C 42 -6.060 -10.855 -1.672 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.483 -9.101 0.090 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.626 -7.300 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.668 -8.086 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.498 -8.572 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.028 -9.759 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -4.785 -7.809 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.228 -9.486 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.304 -8.147 -3.102 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.715 -8.211 0.823 1.00 0.00 N ATOM 2252 CA HIS C 43 -8.033 -7.780 1.271 1.00 0.00 C ATOM 2253 C HIS C 43 -7.961 -6.749 2.393 1.00 0.00 C ATOM 2254 O HIS C 43 -6.919 -6.562 3.014 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.841 -8.970 1.807 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.681 -10.265 1.053 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.610 -10.795 0.161 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.611 -11.111 1.142 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.081 -11.954 -0.266 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -7.886 -12.166 0.304 1.00 0.00 N ATOM 0 H HIS C 43 -5.969 -8.090 1.508 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.511 -7.336 0.398 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.557 -9.139 2.846 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.897 -8.698 1.805 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.505 -10.388 -0.111 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.727 -10.978 1.748 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.553 -12.622 -0.971 1.00 0.00 H new ATOM 2268 N ARG C 44 -9.098 -6.091 2.640 1.00 0.00 N ATOM 2269 CA ARG C 44 -9.302 -5.229 3.793 1.00 0.00 C ATOM 2270 C ARG C 44 -9.213 -6.092 5.051 1.00 0.00 C ATOM 2271 O ARG C 44 -9.479 -7.289 4.991 1.00 0.00 O ATOM 2272 CB ARG C 44 -10.680 -4.566 3.642 1.00 0.00 C ATOM 2273 CG ARG C 44 -11.136 -3.746 4.852 1.00 0.00 C ATOM 2274 CD ARG C 44 -10.231 -2.549 5.137 1.00 0.00 C ATOM 2275 NE ARG C 44 -10.677 -1.850 6.348 1.00 0.00 N ATOM 2276 CZ ARG C 44 -10.589 -0.531 6.548 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -10.052 0.264 5.624 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -11.040 -0.002 7.680 1.00 0.00 N ATOM 0 H ARG C 44 -9.913 -6.148 2.029 1.00 0.00 H new ATOM 0 HA ARG C 44 -8.548 -4.445 3.866 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -10.661 -3.916 2.767 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -11.421 -5.341 3.447 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -12.153 -3.393 4.682 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.165 -4.390 5.731 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -9.201 -2.884 5.261 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -10.244 -1.865 4.289 1.00 0.00 H new ATOM 0 HE ARG C 44 -11.085 -2.413 7.094 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -9.702 -0.132 4.752 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -9.991 1.269 5.789 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -11.452 -0.602 8.394 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -10.974 1.004 7.835 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.843 -5.495 6.186 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.718 -6.217 7.450 1.00 0.00 C ATOM 2294 C GLU C 45 -9.992 -6.981 7.799 1.00 0.00 C ATOM 2295 O GLU C 45 -9.943 -7.983 8.507 1.00 0.00 O ATOM 2296 CB GLU C 45 -8.417 -5.235 8.582 1.00 0.00 C ATOM 2297 CG GLU C 45 -7.233 -4.346 8.227 1.00 0.00 C ATOM 2298 CD GLU C 45 -6.816 -3.505 9.432 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.053 -4.034 10.268 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -7.264 -2.338 9.508 1.00 0.00 O ATOM 0 H GLU C 45 -8.623 -4.501 6.253 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.904 -6.932 7.333 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -9.294 -4.619 8.777 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.203 -5.784 9.499 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.395 -4.960 7.897 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -7.497 -3.694 7.395 1.00 0.00 H new ATOM 2307 N GLU C 46 -11.139 -6.512 7.300 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.422 -7.158 7.540 1.00 0.00 C ATOM 2309 C GLU C 46 -12.503 -8.485 6.791 1.00 0.00 C ATOM 2310 O GLU C 46 -12.755 -9.524 7.397 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.539 -6.216 7.087 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.931 -6.797 7.346 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.174 -7.085 8.827 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -14.868 -6.194 9.654 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -15.667 -8.197 9.122 1.00 0.00 O ATOM 0 H GLU C 46 -11.199 -5.675 6.720 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.531 -7.370 8.604 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.442 -5.264 7.609 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.427 -6.009 6.023 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -15.686 -6.099 6.985 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -15.050 -7.718 6.775 1.00 0.00 H new ATOM 2322 N ILE C 47 -12.295 -8.471 5.467 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.376 -9.687 4.670 1.00 0.00 C ATOM 2324 C ILE C 47 -11.241 -10.615 5.071 1.00 0.00 C ATOM 2325 O ILE C 47 -11.384 -11.835 5.024 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.274 -9.344 3.174 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.578 -8.785 2.594 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.959 -10.592 2.348 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -14.063 -7.546 3.335 1.00 0.00 C ATOM 0 H ILE C 47 -12.071 -7.631 4.934 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.332 -10.180 4.848 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.484 -8.595 3.114 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.428 -8.540 1.542 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.349 -9.554 2.635 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.892 -10.323 1.294 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -11.009 -11.015 2.676 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.751 -11.328 2.485 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.989 -7.191 2.883 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -14.241 -7.794 4.381 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -13.306 -6.764 3.271 1.00 0.00 H new ATOM 2341 N TYR C 48 -10.107 -10.038 5.475 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.945 -10.814 5.863 1.00 0.00 C ATOM 2343 C TYR C 48 -9.267 -11.773 7.000 1.00 0.00 C ATOM 2344 O TYR C 48 -8.627 -12.811 7.129 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.836 -9.875 6.321 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.627 -10.639 6.778 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.766 -11.232 5.845 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.380 -10.758 8.149 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.658 -11.968 6.288 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -5.285 -11.496 8.599 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.412 -12.101 7.671 1.00 0.00 C ATOM 2352 OH TYR C 48 -3.333 -12.816 8.102 1.00 0.00 O ATOM 0 H TYR C 48 -9.977 -9.028 5.539 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.628 -11.393 4.996 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.560 -9.209 5.503 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -8.201 -9.247 7.134 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.955 -11.122 4.787 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -7.037 -10.279 8.860 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.995 -12.432 5.573 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -5.106 -11.604 9.659 1.00 0.00 H new ATOM 0 HH TYR C 48 -3.306 -12.810 9.082 1.00 0.00 H new