USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=23 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=-0.00372 X(o=-0.0037,f=-0.24) 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= 0.399 USER MOD Set 2.2: C 21 THR OG1 : rot -72:sc= 0.429 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.765 K(o=0.77,f=-4!) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.122 USER MOD Set 4.2: A 21 THR OG1 : rot -74:sc= 0.115 USER MOD Single : A 1 MET CE :methyl -129:sc= -0.0111 (180deg=-0.263) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.055 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 140:sc= 0.355 USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0454) USER MOD Single : A 26 SER OG : rot -57:sc= 0.00895 USER MOD Single : A 28 GLN : amide:sc= -0.745 X(o=-0.74,f=-0.37) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 35 ASN : amide:sc= -0.0085 K(o=-0.0085,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0946) USER MOD Single : A 43 HIS : no HE2:sc= -4.05 K(o=-4,f=-5.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -126:sc= -0.0045 (180deg=-0.254) USER MOD Single : C 1 MET N :NH3+ 139:sc= 0.0146 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= -0.0985 USER MOD Single : C 7 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.111) USER MOD Single : C 26 SER OG : rot 27:sc= 0.866 USER MOD Single : C 28 GLN :FLIP amide:sc= -0.997 F(o=-4.9!,f=-1) USER MOD Single : C 29 GLN : amide:sc=-0.00896 K(o=-0.009,f=-3.3!) USER MOD Single : C 35 ASN : amide:sc= -0.0381 K(o=-0.038,f=-1.5) USER MOD Single : C 38 LYS NZ :NH3+ 144:sc= -0.385 (180deg=-1.7!) USER MOD Single : C 43 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-3.3!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.996 -5.206 -11.487 1.00 0.00 N ATOM 2 CA MET A 1 -5.884 -4.340 -10.298 1.00 0.00 C ATOM 3 C MET A 1 -6.984 -4.668 -9.296 1.00 0.00 C ATOM 4 O MET A 1 -8.074 -5.070 -9.690 1.00 0.00 O ATOM 5 CB MET A 1 -6.003 -2.867 -10.692 1.00 0.00 C ATOM 6 CG MET A 1 -5.603 -1.909 -9.573 1.00 0.00 C ATOM 7 SD MET A 1 -3.827 -1.592 -9.465 1.00 0.00 S ATOM 8 CE MET A 1 -3.755 -0.447 -10.858 1.00 0.00 C ATOM 0 H1 MET A 1 -5.900 -4.629 -12.347 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.244 -5.924 -11.466 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.924 -5.676 -11.488 1.00 0.00 H new ATOM 0 HA MET A 1 -4.909 -4.519 -9.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.376 -2.679 -11.563 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.031 -2.659 -10.989 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.121 -0.961 -9.719 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.946 -2.316 -8.622 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.965 -0.756 -11.543 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.711 -0.450 -11.382 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.545 0.558 -10.492 1.00 0.00 H new ATOM 20 N LEU A 2 -6.697 -4.491 -8.006 1.00 0.00 N ATOM 21 CA LEU A 2 -7.669 -4.643 -6.937 1.00 0.00 C ATOM 22 C LEU A 2 -7.561 -3.400 -6.057 1.00 0.00 C ATOM 23 O LEU A 2 -6.481 -3.084 -5.567 1.00 0.00 O ATOM 24 CB LEU A 2 -7.380 -5.960 -6.203 1.00 0.00 C ATOM 25 CG LEU A 2 -8.327 -6.297 -5.047 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.908 -5.591 -3.762 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.775 -5.939 -5.378 1.00 0.00 C ATOM 0 H LEU A 2 -5.767 -4.234 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.698 -4.710 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.416 -6.774 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.362 -5.923 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.263 -7.375 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.600 -5.851 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.901 -5.904 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.923 -4.512 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.415 -6.193 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.849 -4.870 -5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -10.096 -6.498 -6.257 1.00 0.00 H new ATOM 39 N ILE A 3 -8.679 -2.691 -5.856 1.00 0.00 N ATOM 40 CA ILE A 3 -8.684 -1.403 -5.182 1.00 0.00 C ATOM 41 C ILE A 3 -9.392 -1.491 -3.838 1.00 0.00 C ATOM 42 O ILE A 3 -10.320 -2.281 -3.666 1.00 0.00 O ATOM 43 CB ILE A 3 -9.346 -0.339 -6.078 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.484 -0.036 -7.306 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.520 0.986 -5.330 1.00 0.00 C ATOM 46 CD1 ILE A 3 -8.720 -1.013 -8.445 1.00 0.00 C ATOM 0 H ILE A 3 -9.602 -3.001 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.651 -1.110 -4.994 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.312 -0.748 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.695 0.976 -7.652 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.432 -0.063 -7.022 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.990 1.717 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.150 0.829 -4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.545 1.356 -5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.082 -0.749 -9.289 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.483 -2.024 -8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.765 -0.968 -8.752 1.00 0.00 H new ATOM 58 N LEU A 4 -8.931 -0.661 -2.902 1.00 0.00 N ATOM 59 CA LEU A 4 -9.459 -0.558 -1.553 1.00 0.00 C ATOM 60 C LEU A 4 -9.406 0.908 -1.129 1.00 0.00 C ATOM 61 O LEU A 4 -8.614 1.682 -1.664 1.00 0.00 O ATOM 62 CB LEU A 4 -8.615 -1.423 -0.613 1.00 0.00 C ATOM 63 CG LEU A 4 -8.739 -2.920 -0.920 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.757 -3.693 -0.051 1.00 0.00 C ATOM 65 CD2 LEU A 4 -10.147 -3.432 -0.617 1.00 0.00 C ATOM 0 H LEU A 4 -8.154 -0.023 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.490 -0.910 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.569 -1.125 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.922 -1.240 0.417 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.526 -3.066 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.842 -4.758 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.742 -3.359 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.984 -3.516 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.204 -4.496 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.373 -3.274 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.870 -2.891 -1.228 1.00 0.00 H new ATOM 77 N THR A 5 -10.248 1.289 -0.169 1.00 0.00 N ATOM 78 CA THR A 5 -10.320 2.666 0.296 1.00 0.00 C ATOM 79 C THR A 5 -10.328 2.686 1.817 1.00 0.00 C ATOM 80 O THR A 5 -11.112 1.977 2.446 1.00 0.00 O ATOM 81 CB THR A 5 -11.589 3.322 -0.253 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.643 3.161 -1.651 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.607 4.819 0.042 1.00 0.00 C ATOM 0 H THR A 5 -10.893 0.655 0.302 1.00 0.00 H new ATOM 0 HA THR A 5 -9.453 3.223 -0.059 1.00 0.00 H new ATOM 0 HB THR A 5 -12.441 2.843 0.229 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.564 2.963 -1.922 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.520 5.258 -0.360 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.572 4.978 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.742 5.292 -0.423 1.00 0.00 H new ATOM 91 N ARG A 6 -9.445 3.494 2.409 1.00 0.00 N ATOM 92 CA ARG A 6 -9.251 3.555 3.853 1.00 0.00 C ATOM 93 C ARG A 6 -8.992 4.985 4.295 1.00 0.00 C ATOM 94 O ARG A 6 -9.055 5.911 3.490 1.00 0.00 O ATOM 95 CB ARG A 6 -8.077 2.658 4.262 1.00 0.00 C ATOM 96 CG ARG A 6 -8.342 1.190 3.933 1.00 0.00 C ATOM 97 CD ARG A 6 -7.956 0.306 5.116 1.00 0.00 C ATOM 98 NE ARG A 6 -8.902 0.510 6.220 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.241 -0.404 7.129 1.00 0.00 C ATOM 100 NH1 ARG A 6 -8.668 -1.604 7.147 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.169 -0.111 8.035 1.00 0.00 N ATOM 0 H ARG A 6 -8.840 4.130 1.890 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.158 3.200 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.173 2.987 3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.895 2.763 5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.396 1.048 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.772 0.899 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.956 -0.741 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.944 0.543 5.444 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.337 1.429 6.298 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.955 -1.839 6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.942 -2.289 7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.615 0.806 8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.435 -0.804 8.735 1.00 0.00 H new ATOM 115 N LYS A 7 -8.704 5.158 5.581 1.00 0.00 N ATOM 116 CA LYS A 7 -8.477 6.452 6.204 1.00 0.00 C ATOM 117 C LYS A 7 -7.099 6.451 6.851 1.00 0.00 C ATOM 118 O LYS A 7 -6.590 5.385 7.209 1.00 0.00 O ATOM 119 CB LYS A 7 -9.572 6.674 7.247 1.00 0.00 C ATOM 120 CG LYS A 7 -10.889 7.142 6.623 1.00 0.00 C ATOM 121 CD LYS A 7 -11.030 8.662 6.745 1.00 0.00 C ATOM 122 CE LYS A 7 -11.228 9.049 8.213 1.00 0.00 C ATOM 123 NZ LYS A 7 -11.231 10.512 8.396 1.00 0.00 N ATOM 0 H LYS A 7 -8.620 4.379 6.234 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.512 7.257 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.742 5.747 7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.234 7.414 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.925 6.851 5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.727 6.652 7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.141 9.152 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.877 9.007 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.169 8.635 8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.434 8.609 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.501 10.739 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.281 10.888 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.913 10.943 7.740 1.00 0.00 H new ATOM 137 N VAL A 8 -6.481 7.630 7.011 1.00 0.00 N ATOM 138 CA VAL A 8 -5.167 7.658 7.643 1.00 0.00 C ATOM 139 C VAL A 8 -5.217 6.975 9.009 1.00 0.00 C ATOM 140 O VAL A 8 -6.106 7.242 9.819 1.00 0.00 O ATOM 141 CB VAL A 8 -4.582 9.066 7.735 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.478 9.647 6.329 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.372 10.021 8.618 1.00 0.00 C ATOM 0 H VAL A 8 -6.853 8.535 6.724 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.488 7.096 7.001 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.604 8.964 8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.061 10.653 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.829 9.016 5.722 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.469 9.688 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.885 10.996 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.385 10.124 8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.413 9.628 9.634 1.00 0.00 H new ATOM 153 N GLY A 9 -4.252 6.087 9.258 1.00 0.00 N ATOM 154 CA GLY A 9 -4.166 5.342 10.507 1.00 0.00 C ATOM 155 C GLY A 9 -4.719 3.919 10.391 1.00 0.00 C ATOM 156 O GLY A 9 -4.801 3.218 11.398 1.00 0.00 O ATOM 0 H GLY A 9 -3.509 5.867 8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.125 5.297 10.826 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.714 5.877 11.282 1.00 0.00 H new ATOM 160 N GLU A 10 -5.101 3.476 9.187 1.00 0.00 N ATOM 161 CA GLU A 10 -5.651 2.141 8.976 1.00 0.00 C ATOM 162 C GLU A 10 -4.702 1.264 8.154 1.00 0.00 C ATOM 163 O GLU A 10 -3.651 1.735 7.714 1.00 0.00 O ATOM 164 CB GLU A 10 -7.017 2.246 8.299 1.00 0.00 C ATOM 165 CG GLU A 10 -8.008 3.033 9.163 1.00 0.00 C ATOM 166 CD GLU A 10 -9.416 2.983 8.573 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.529 3.005 7.329 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.372 2.922 9.379 1.00 0.00 O ATOM 0 H GLU A 10 -5.036 4.035 8.336 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.771 1.663 9.948 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.909 2.734 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.409 1.247 8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.019 2.623 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.681 4.070 9.243 1.00 0.00 H new ATOM 175 N SER A 11 -5.064 -0.010 7.945 1.00 0.00 N ATOM 176 CA SER A 11 -4.177 -0.985 7.316 1.00 0.00 C ATOM 177 C SER A 11 -4.877 -1.881 6.293 1.00 0.00 C ATOM 178 O SER A 11 -6.100 -1.916 6.195 1.00 0.00 O ATOM 179 CB SER A 11 -3.542 -1.853 8.405 1.00 0.00 C ATOM 180 OG SER A 11 -2.786 -1.058 9.293 1.00 0.00 O ATOM 0 H SER A 11 -5.975 -0.387 8.207 1.00 0.00 H new ATOM 0 HA SER A 11 -3.423 -0.422 6.767 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.319 -2.384 8.955 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.902 -2.608 7.949 1.00 0.00 H new ATOM 0 HG SER A 11 -2.388 -1.628 9.984 1.00 0.00 H new ATOM 186 N ILE A 12 -4.058 -2.609 5.525 1.00 0.00 N ATOM 187 CA ILE A 12 -4.460 -3.508 4.444 1.00 0.00 C ATOM 188 C ILE A 12 -3.525 -4.721 4.484 1.00 0.00 C ATOM 189 O ILE A 12 -2.479 -4.659 5.125 1.00 0.00 O ATOM 190 CB ILE A 12 -4.392 -2.755 3.107 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.449 -1.638 3.129 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.618 -3.683 1.908 1.00 0.00 C ATOM 193 CD1 ILE A 12 -5.514 -0.870 1.815 1.00 0.00 C ATOM 0 H ILE A 12 -3.046 -2.584 5.649 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.487 -3.854 4.560 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.393 -2.335 2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.426 -2.071 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.224 -0.945 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.561 -3.106 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.852 -4.459 1.899 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.602 -4.145 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.276 -0.094 1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.546 -0.411 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.767 -1.555 1.005 1.00 0.00 H new ATOM 205 N ASN A 13 -3.876 -5.822 3.816 1.00 0.00 N ATOM 206 CA ASN A 13 -3.121 -7.062 3.934 1.00 0.00 C ATOM 207 C ASN A 13 -2.817 -7.695 2.579 1.00 0.00 C ATOM 208 O ASN A 13 -3.549 -7.502 1.606 1.00 0.00 O ATOM 209 CB ASN A 13 -3.917 -8.042 4.799 1.00 0.00 C ATOM 210 CG ASN A 13 -4.270 -7.440 6.151 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.381 -6.964 6.351 1.00 0.00 O ATOM 212 ND2 ASN A 13 -3.330 -7.454 7.092 1.00 0.00 N ATOM 0 H ASN A 13 -4.679 -5.876 3.189 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.161 -6.829 4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.831 -8.328 4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.336 -8.952 4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.524 -7.061 8.013 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.415 -7.858 6.893 1.00 0.00 H new ATOM 219 N ILE A 14 -1.719 -8.460 2.534 1.00 0.00 N ATOM 220 CA ILE A 14 -1.259 -9.166 1.346 1.00 0.00 C ATOM 221 C ILE A 14 -0.672 -10.508 1.772 1.00 0.00 C ATOM 222 O ILE A 14 0.076 -10.583 2.751 1.00 0.00 O ATOM 223 CB ILE A 14 -0.185 -8.342 0.615 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.718 -6.949 0.244 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.296 -9.095 -0.630 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.344 -6.082 -0.432 1.00 0.00 C ATOM 0 H ILE A 14 -1.117 -8.604 3.344 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.098 -9.320 0.668 1.00 0.00 H new ATOM 0 HB ILE A 14 0.663 -8.202 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.574 -7.056 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.074 -6.447 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.056 -8.504 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.720 -10.054 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.546 -9.263 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.082 -5.108 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.190 -5.951 0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.682 -6.568 -1.347 1.00 0.00 H new ATOM 238 N GLY A 15 -1.010 -11.571 1.038 1.00 0.00 N ATOM 239 CA GLY A 15 -0.521 -12.910 1.334 1.00 0.00 C ATOM 240 C GLY A 15 -0.831 -13.292 2.778 1.00 0.00 C ATOM 241 O GLY A 15 -1.877 -12.927 3.315 1.00 0.00 O ATOM 0 H GLY A 15 -1.627 -11.523 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.982 -13.629 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.555 -12.955 1.164 1.00 0.00 H new ATOM 245 N ASP A 16 0.090 -14.028 3.403 1.00 0.00 N ATOM 246 CA ASP A 16 -0.014 -14.448 4.792 1.00 0.00 C ATOM 247 C ASP A 16 1.226 -14.003 5.572 1.00 0.00 C ATOM 248 O ASP A 16 1.470 -14.486 6.675 1.00 0.00 O ATOM 249 CB ASP A 16 -0.216 -15.966 4.858 1.00 0.00 C ATOM 250 CG ASP A 16 -1.496 -16.390 4.141 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.579 -16.160 4.723 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.380 -16.939 3.021 1.00 0.00 O ATOM 0 H ASP A 16 0.942 -14.352 2.945 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.879 -13.974 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.639 -16.468 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.258 -16.284 5.900 1.00 0.00 H new ATOM 257 N ASP A 17 2.005 -13.080 4.997 1.00 0.00 N ATOM 258 CA ASP A 17 3.259 -12.618 5.582 1.00 0.00 C ATOM 259 C ASP A 17 3.444 -11.104 5.441 1.00 0.00 C ATOM 260 O ASP A 17 4.472 -10.590 5.872 1.00 0.00 O ATOM 261 CB ASP A 17 4.429 -13.340 4.914 1.00 0.00 C ATOM 262 CG ASP A 17 4.334 -14.854 5.090 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.757 -15.333 6.169 1.00 0.00 O ATOM 264 OD2 ASP A 17 3.847 -15.521 4.152 1.00 0.00 O ATOM 0 H ASP A 17 1.778 -12.633 4.109 1.00 0.00 H new ATOM 0 HA ASP A 17 3.229 -12.846 6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.447 -13.098 3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.367 -12.983 5.338 1.00 0.00 H new ATOM 269 N ILE A 18 2.486 -10.380 4.854 1.00 0.00 N ATOM 270 CA ILE A 18 2.660 -8.950 4.641 1.00 0.00 C ATOM 271 C ILE A 18 1.418 -8.171 5.058 1.00 0.00 C ATOM 272 O ILE A 18 0.292 -8.657 4.957 1.00 0.00 O ATOM 273 CB ILE A 18 2.994 -8.657 3.168 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.240 -9.416 2.692 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.241 -7.162 2.963 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.831 -10.721 2.003 1.00 0.00 C ATOM 0 H ILE A 18 1.598 -10.758 4.524 1.00 0.00 H new ATOM 0 HA ILE A 18 3.492 -8.624 5.265 1.00 0.00 H new ATOM 0 HB ILE A 18 2.135 -8.989 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.812 -8.795 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.890 -9.632 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.476 -6.972 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.347 -6.604 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.076 -6.842 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.723 -11.251 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.279 -11.346 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.200 -10.496 1.143 1.00 0.00 H new ATOM 288 N THR A 19 1.647 -6.948 5.534 1.00 0.00 N ATOM 289 CA THR A 19 0.598 -5.999 5.893 1.00 0.00 C ATOM 290 C THR A 19 1.059 -4.615 5.441 1.00 0.00 C ATOM 291 O THR A 19 2.256 -4.363 5.321 1.00 0.00 O ATOM 292 CB THR A 19 0.350 -6.070 7.405 1.00 0.00 C ATOM 293 OG1 THR A 19 -0.155 -7.346 7.738 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.657 -5.030 7.893 1.00 0.00 C ATOM 0 H THR A 19 2.588 -6.583 5.683 1.00 0.00 H new ATOM 0 HA THR A 19 -0.348 -6.230 5.404 1.00 0.00 H new ATOM 0 HB THR A 19 1.307 -5.872 7.887 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.313 -7.394 8.704 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.790 -5.130 8.970 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.287 -4.030 7.665 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.613 -5.186 7.393 1.00 0.00 H new ATOM 302 N ILE A 20 0.102 -3.719 5.194 1.00 0.00 N ATOM 303 CA ILE A 20 0.346 -2.386 4.669 1.00 0.00 C ATOM 304 C ILE A 20 -0.418 -1.400 5.538 1.00 0.00 C ATOM 305 O ILE A 20 -1.462 -1.743 6.086 1.00 0.00 O ATOM 306 CB ILE A 20 -0.139 -2.311 3.211 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.538 -3.368 2.327 1.00 0.00 C ATOM 308 CG2 ILE A 20 0.101 -0.915 2.631 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.038 -3.137 2.163 1.00 0.00 C ATOM 0 H ILE A 20 -0.886 -3.910 5.359 1.00 0.00 H new ATOM 0 HA ILE A 20 1.410 -2.149 4.685 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.210 -2.516 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.373 -4.355 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.066 -3.368 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.249 -0.884 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.443 -0.177 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.167 -0.688 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.459 -3.917 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.208 -2.163 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.520 -3.166 3.140 1.00 0.00 H new ATOM 321 N THR A 21 0.090 -0.174 5.667 1.00 0.00 N ATOM 322 CA THR A 21 -0.533 0.832 6.515 1.00 0.00 C ATOM 323 C THR A 21 -0.418 2.209 5.870 1.00 0.00 C ATOM 324 O THR A 21 0.548 2.498 5.173 1.00 0.00 O ATOM 325 CB THR A 21 0.157 0.824 7.886 1.00 0.00 C ATOM 326 OG1 THR A 21 0.210 -0.493 8.391 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.595 1.684 8.898 1.00 0.00 C ATOM 0 H THR A 21 0.935 0.143 5.191 1.00 0.00 H new ATOM 0 HA THR A 21 -1.591 0.602 6.640 1.00 0.00 H new ATOM 0 HB THR A 21 1.160 1.228 7.745 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.681 -0.761 8.700 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.077 1.654 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.638 2.713 8.541 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.608 1.300 9.020 1.00 0.00 H new ATOM 335 N ILE A 22 -1.418 3.062 6.111 1.00 0.00 N ATOM 336 CA ILE A 22 -1.448 4.432 5.623 1.00 0.00 C ATOM 337 C ILE A 22 -1.196 5.347 6.821 1.00 0.00 C ATOM 338 O ILE A 22 -2.130 5.788 7.486 1.00 0.00 O ATOM 339 CB ILE A 22 -2.775 4.697 4.883 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.032 6.184 4.620 1.00 0.00 C ATOM 341 CG2 ILE A 22 -3.984 4.140 5.632 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.856 6.848 3.917 1.00 0.00 C ATOM 0 H ILE A 22 -2.240 2.810 6.660 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.670 4.630 4.886 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.657 4.179 3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.929 6.295 4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.224 6.692 5.565 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.892 4.354 5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.875 3.062 5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.050 4.606 6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.080 7.902 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.964 6.761 4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.681 6.358 2.959 1.00 0.00 H new ATOM 354 N LEU A 23 0.078 5.634 7.106 1.00 0.00 N ATOM 355 CA LEU A 23 0.443 6.374 8.309 1.00 0.00 C ATOM 356 C LEU A 23 -0.114 7.802 8.254 1.00 0.00 C ATOM 357 O LEU A 23 -0.345 8.411 9.299 1.00 0.00 O ATOM 358 CB LEU A 23 1.962 6.393 8.531 1.00 0.00 C ATOM 359 CG LEU A 23 2.700 5.160 7.999 1.00 0.00 C ATOM 360 CD1 LEU A 23 4.195 5.347 8.222 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.257 3.884 8.703 1.00 0.00 C ATOM 0 H LEU A 23 0.868 5.365 6.520 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.003 5.857 9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.375 7.281 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.159 6.485 9.599 1.00 0.00 H new ATOM 0 HG LEU A 23 2.468 5.060 6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.731 4.475 7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.534 6.237 7.691 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.392 5.463 9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.805 3.035 8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.460 3.968 9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.189 3.735 8.548 1.00 0.00 H new ATOM 373 N GLY A 24 -0.334 8.339 7.046 1.00 0.00 N ATOM 374 CA GLY A 24 -0.998 9.631 6.892 1.00 0.00 C ATOM 375 C GLY A 24 -0.733 10.275 5.535 1.00 0.00 C ATOM 376 O GLY A 24 -0.226 9.625 4.625 1.00 0.00 O ATOM 0 H GLY A 24 -0.062 7.897 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.072 9.500 7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.660 10.304 7.680 1.00 0.00 H new ATOM 380 N VAL A 25 -1.075 11.563 5.398 1.00 0.00 N ATOM 381 CA VAL A 25 -0.810 12.325 4.180 1.00 0.00 C ATOM 382 C VAL A 25 -0.064 13.615 4.526 1.00 0.00 C ATOM 383 O VAL A 25 0.060 13.966 5.699 1.00 0.00 O ATOM 384 CB VAL A 25 -2.104 12.595 3.396 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.997 11.354 3.325 1.00 0.00 C ATOM 386 CG2 VAL A 25 -2.909 13.739 4.006 1.00 0.00 C ATOM 0 H VAL A 25 -1.542 12.101 6.128 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.172 11.732 3.525 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.790 12.871 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.901 11.588 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.459 10.547 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.268 11.042 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.816 13.898 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.177 13.488 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.310 14.649 4.000 1.00 0.00 H new ATOM 396 N SER A 26 0.436 14.325 3.508 1.00 0.00 N ATOM 397 CA SER A 26 1.210 15.548 3.698 1.00 0.00 C ATOM 398 C SER A 26 0.898 16.523 2.567 1.00 0.00 C ATOM 399 O SER A 26 1.796 17.067 1.925 1.00 0.00 O ATOM 400 CB SER A 26 2.703 15.216 3.750 1.00 0.00 C ATOM 401 OG SER A 26 3.423 16.302 4.300 1.00 0.00 O ATOM 0 H SER A 26 0.313 14.064 2.530 1.00 0.00 H new ATOM 0 HA SER A 26 0.938 16.017 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.864 14.321 4.351 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.070 14.997 2.747 1.00 0.00 H new ATOM 0 HG SER A 26 3.255 17.108 3.769 1.00 0.00 H new ATOM 407 N GLY A 27 -0.396 16.739 2.326 1.00 0.00 N ATOM 408 CA GLY A 27 -0.877 17.549 1.219 1.00 0.00 C ATOM 409 C GLY A 27 -1.441 16.601 0.168 1.00 0.00 C ATOM 410 O GLY A 27 -2.549 16.094 0.330 1.00 0.00 O ATOM 0 H GLY A 27 -1.142 16.350 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.644 18.245 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.067 18.146 0.801 1.00 0.00 H new ATOM 414 N GLN A 28 -0.680 16.360 -0.902 1.00 0.00 N ATOM 415 CA GLN A 28 -1.047 15.366 -1.902 1.00 0.00 C ATOM 416 C GLN A 28 -0.025 14.232 -1.909 1.00 0.00 C ATOM 417 O GLN A 28 -0.130 13.295 -2.703 1.00 0.00 O ATOM 418 CB GLN A 28 -1.215 16.017 -3.278 1.00 0.00 C ATOM 419 CG GLN A 28 -2.513 15.521 -3.926 1.00 0.00 C ATOM 420 CD GLN A 28 -3.731 16.068 -3.185 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.153 17.195 -3.423 1.00 0.00 O ATOM 422 NE2 GLN A 28 -4.303 15.273 -2.281 1.00 0.00 N ATOM 0 H GLN A 28 0.197 16.844 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.013 14.932 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.238 17.102 -3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.363 15.774 -3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.546 15.833 -4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.536 14.431 -3.918 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.925 14.341 -2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.119 15.596 -1.761 1.00 0.00 H new ATOM 431 N GLN A 29 0.968 14.325 -1.019 1.00 0.00 N ATOM 432 CA GLN A 29 1.864 13.223 -0.732 1.00 0.00 C ATOM 433 C GLN A 29 1.141 12.276 0.220 1.00 0.00 C ATOM 434 O GLN A 29 0.157 12.658 0.852 1.00 0.00 O ATOM 435 CB GLN A 29 3.144 13.715 -0.053 1.00 0.00 C ATOM 436 CG GLN A 29 4.137 14.319 -1.047 1.00 0.00 C ATOM 437 CD GLN A 29 5.477 14.605 -0.375 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.567 14.658 0.846 1.00 0.00 O ATOM 439 NE2 GLN A 29 6.532 14.796 -1.162 1.00 0.00 N ATOM 0 H GLN A 29 1.165 15.170 -0.483 1.00 0.00 H new ATOM 0 HA GLN A 29 2.138 12.729 -1.664 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.889 14.461 0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.617 12.884 0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.284 13.634 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.729 15.242 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.428 14.746 -2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.445 14.992 -0.752 1.00 0.00 H new ATOM 448 N VAL A 30 1.630 11.043 0.328 1.00 0.00 N ATOM 449 CA VAL A 30 1.028 10.035 1.179 1.00 0.00 C ATOM 450 C VAL A 30 2.126 9.220 1.848 1.00 0.00 C ATOM 451 O VAL A 30 3.032 8.715 1.183 1.00 0.00 O ATOM 452 CB VAL A 30 0.101 9.144 0.342 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.593 8.126 1.239 1.00 0.00 C ATOM 454 CG2 VAL A 30 -0.992 9.974 -0.329 1.00 0.00 C ATOM 0 H VAL A 30 2.456 10.720 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 30 0.430 10.508 1.958 1.00 0.00 H new ATOM 0 HB VAL A 30 0.715 8.650 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.249 7.498 0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.155 7.504 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.182 8.648 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.636 9.320 -0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.585 10.479 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.535 10.716 -0.983 1.00 0.00 H new ATOM 464 N ARG A 31 2.038 9.099 3.174 1.00 0.00 N ATOM 465 CA ARG A 31 2.983 8.361 3.999 1.00 0.00 C ATOM 466 C ARG A 31 2.458 6.943 4.172 1.00 0.00 C ATOM 467 O ARG A 31 1.391 6.752 4.757 1.00 0.00 O ATOM 468 CB ARG A 31 3.081 9.042 5.370 1.00 0.00 C ATOM 469 CG ARG A 31 3.518 10.504 5.294 1.00 0.00 C ATOM 470 CD ARG A 31 4.942 10.625 4.765 1.00 0.00 C ATOM 471 NE ARG A 31 5.933 10.046 5.684 1.00 0.00 N ATOM 472 CZ ARG A 31 6.286 10.577 6.855 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.751 11.716 7.288 1.00 0.00 N ATOM 474 NH2 ARG A 31 7.185 9.958 7.614 1.00 0.00 N ATOM 0 H ARG A 31 1.285 9.525 3.714 1.00 0.00 H new ATOM 0 HA ARG A 31 3.968 8.341 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.111 8.986 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.788 8.491 5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.838 11.057 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.455 10.957 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.011 10.125 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.176 11.676 4.598 1.00 0.00 H new ATOM 0 HE ARG A 31 6.383 9.174 5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.056 12.201 6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.036 12.104 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.601 9.081 7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.459 10.360 8.511 1.00 0.00 H new ATOM 488 N ILE A 32 3.198 5.954 3.664 1.00 0.00 N ATOM 489 CA ILE A 32 2.750 4.571 3.642 1.00 0.00 C ATOM 490 C ILE A 32 3.801 3.688 4.298 1.00 0.00 C ATOM 491 O ILE A 32 5.001 3.906 4.127 1.00 0.00 O ATOM 492 CB ILE A 32 2.492 4.140 2.189 1.00 0.00 C ATOM 493 CG1 ILE A 32 1.451 5.077 1.556 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.006 2.690 2.137 1.00 0.00 C ATOM 495 CD1 ILE A 32 1.129 4.705 0.110 1.00 0.00 C ATOM 0 H ILE A 32 4.123 6.096 3.258 1.00 0.00 H new ATOM 0 HA ILE A 32 1.819 4.470 4.200 1.00 0.00 H new ATOM 0 HB ILE A 32 3.423 4.205 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.536 5.049 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.821 6.102 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.829 2.403 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.763 2.037 2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.079 2.596 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.389 5.399 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.037 4.759 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.731 3.691 0.075 1.00 0.00 H new ATOM 507 N GLY A 33 3.345 2.684 5.050 1.00 0.00 N ATOM 508 CA GLY A 33 4.222 1.770 5.757 1.00 0.00 C ATOM 509 C GLY A 33 3.941 0.340 5.324 1.00 0.00 C ATOM 510 O GLY A 33 2.874 0.036 4.793 1.00 0.00 O ATOM 0 H GLY A 33 2.353 2.488 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.263 2.022 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.073 1.869 6.832 1.00 0.00 H new ATOM 514 N ILE A 34 4.912 -0.538 5.560 1.00 0.00 N ATOM 515 CA ILE A 34 4.861 -1.925 5.147 1.00 0.00 C ATOM 516 C ILE A 34 5.363 -2.770 6.303 1.00 0.00 C ATOM 517 O ILE A 34 6.231 -2.344 7.067 1.00 0.00 O ATOM 518 CB ILE A 34 5.719 -2.117 3.892 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.247 -1.169 2.781 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.634 -3.567 3.407 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.188 -1.188 1.576 1.00 0.00 C ATOM 0 H ILE A 34 5.770 -0.294 6.054 1.00 0.00 H new ATOM 0 HA ILE A 34 3.844 -2.228 4.897 1.00 0.00 H new ATOM 0 HB ILE A 34 6.755 -1.888 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.244 -1.454 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.181 -0.154 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.248 -3.689 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.995 -4.234 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.598 -3.811 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.817 -0.503 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.185 -0.877 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.234 -2.197 1.166 1.00 0.00 H new ATOM 533 N ASN A 35 4.818 -3.974 6.432 1.00 0.00 N ATOM 534 CA ASN A 35 5.130 -4.860 7.536 1.00 0.00 C ATOM 535 C ASN A 35 5.273 -6.278 7.006 1.00 0.00 C ATOM 536 O ASN A 35 4.298 -7.016 6.901 1.00 0.00 O ATOM 537 CB ASN A 35 4.033 -4.743 8.593 1.00 0.00 C ATOM 538 CG ASN A 35 4.363 -5.542 9.851 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.478 -6.020 10.025 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.383 -5.686 10.736 1.00 0.00 N ATOM 0 H ASN A 35 4.146 -4.360 5.769 1.00 0.00 H new ATOM 0 HA ASN A 35 6.074 -4.585 8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.893 -3.694 8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.089 -5.096 8.177 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.546 -6.209 11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.468 -5.273 10.555 1.00 0.00 H new ATOM 547 N ALA A 36 6.511 -6.639 6.672 1.00 0.00 N ATOM 548 CA ALA A 36 6.837 -7.939 6.108 1.00 0.00 C ATOM 549 C ALA A 36 8.157 -8.446 6.680 1.00 0.00 C ATOM 550 O ALA A 36 8.978 -7.650 7.137 1.00 0.00 O ATOM 551 CB ALA A 36 6.969 -7.793 4.594 1.00 0.00 C ATOM 0 H ALA A 36 7.320 -6.029 6.788 1.00 0.00 H new ATOM 0 HA ALA A 36 6.049 -8.651 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.214 -8.760 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.027 -7.434 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.761 -7.080 4.365 1.00 0.00 H new ATOM 557 N PRO A 37 8.372 -9.766 6.658 1.00 0.00 N ATOM 558 CA PRO A 37 9.632 -10.369 7.036 1.00 0.00 C ATOM 559 C PRO A 37 10.727 -9.948 6.059 1.00 0.00 C ATOM 560 O PRO A 37 10.437 -9.569 4.924 1.00 0.00 O ATOM 561 CB PRO A 37 9.393 -11.875 6.961 1.00 0.00 C ATOM 562 CG PRO A 37 8.199 -12.040 6.021 1.00 0.00 C ATOM 563 CD PRO A 37 7.403 -10.769 6.259 1.00 0.00 C ATOM 0 HA PRO A 37 9.956 -10.061 8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.271 -12.395 6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.180 -12.290 7.946 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.513 -12.132 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.618 -12.931 6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.874 -10.464 5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.652 -10.917 7.035 1.00 0.00 H new ATOM 571 N LYS A 38 11.990 -10.021 6.491 1.00 0.00 N ATOM 572 CA LYS A 38 13.125 -9.764 5.609 1.00 0.00 C ATOM 573 C LYS A 38 13.199 -10.840 4.526 1.00 0.00 C ATOM 574 O LYS A 38 14.072 -10.820 3.662 1.00 0.00 O ATOM 575 CB LYS A 38 14.416 -9.688 6.426 1.00 0.00 C ATOM 576 CG LYS A 38 14.298 -8.674 7.573 1.00 0.00 C ATOM 577 CD LYS A 38 13.927 -7.270 7.090 1.00 0.00 C ATOM 578 CE LYS A 38 15.044 -6.623 6.270 1.00 0.00 C ATOM 579 NZ LYS A 38 16.212 -6.298 7.110 1.00 0.00 N ATOM 0 H LYS A 38 12.249 -10.257 7.449 1.00 0.00 H new ATOM 0 HA LYS A 38 12.992 -8.803 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.649 -10.672 6.832 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.244 -9.407 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.545 -9.020 8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.245 -8.629 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.021 -7.324 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.700 -6.641 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.347 -7.298 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.670 -5.715 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.878 -5.712 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.899 -5.775 7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.684 -7.177 7.404 1.00 0.00 H new ATOM 593 N ASP A 39 12.259 -11.787 4.588 1.00 0.00 N ATOM 594 CA ASP A 39 12.080 -12.856 3.624 1.00 0.00 C ATOM 595 C ASP A 39 11.613 -12.325 2.266 1.00 0.00 C ATOM 596 O ASP A 39 11.611 -13.063 1.284 1.00 0.00 O ATOM 597 CB ASP A 39 11.026 -13.816 4.168 1.00 0.00 C ATOM 598 CG ASP A 39 11.129 -15.184 3.496 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.187 -15.831 3.670 1.00 0.00 O ATOM 600 OD2 ASP A 39 10.156 -15.571 2.812 1.00 0.00 O ATOM 0 H ASP A 39 11.578 -11.824 5.346 1.00 0.00 H new ATOM 0 HA ASP A 39 13.038 -13.355 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.151 -13.926 5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.032 -13.401 4.004 1.00 0.00 H new ATOM 605 N VAL A 40 11.220 -11.047 2.213 1.00 0.00 N ATOM 606 CA VAL A 40 10.694 -10.427 1.000 1.00 0.00 C ATOM 607 C VAL A 40 11.281 -9.034 0.827 1.00 0.00 C ATOM 608 O VAL A 40 11.774 -8.432 1.778 1.00 0.00 O ATOM 609 CB VAL A 40 9.158 -10.355 1.043 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.553 -11.700 1.437 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.679 -9.295 2.032 1.00 0.00 C ATOM 0 H VAL A 40 11.259 -10.416 3.013 1.00 0.00 H new ATOM 0 HA VAL A 40 10.983 -11.042 0.148 1.00 0.00 H new ATOM 0 HB VAL A 40 8.828 -10.088 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.466 -11.618 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.845 -12.457 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.915 -11.987 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.589 -9.269 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.042 -9.538 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.063 -8.319 1.734 1.00 0.00 H new ATOM 621 N ALA A 41 11.224 -8.526 -0.404 1.00 0.00 N ATOM 622 CA ALA A 41 11.762 -7.218 -0.735 1.00 0.00 C ATOM 623 C ALA A 41 10.631 -6.200 -0.810 1.00 0.00 C ATOM 624 O ALA A 41 9.572 -6.499 -1.360 1.00 0.00 O ATOM 625 CB ALA A 41 12.460 -7.323 -2.090 1.00 0.00 C ATOM 0 H ALA A 41 10.803 -9.013 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 41 12.469 -6.893 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.874 -6.352 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.264 -8.056 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.741 -7.636 -2.847 1.00 0.00 H new ATOM 631 N VAL A 42 10.847 -4.995 -0.266 1.00 0.00 N ATOM 632 CA VAL A 42 9.866 -3.921 -0.359 1.00 0.00 C ATOM 633 C VAL A 42 10.587 -2.592 -0.535 1.00 0.00 C ATOM 634 O VAL A 42 11.383 -2.193 0.315 1.00 0.00 O ATOM 635 CB VAL A 42 8.934 -3.905 0.867 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.107 -5.189 0.915 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.681 -3.811 2.197 1.00 0.00 C ATOM 0 H VAL A 42 11.695 -4.745 0.242 1.00 0.00 H new ATOM 0 HA VAL A 42 9.233 -4.092 -1.229 1.00 0.00 H new ATOM 0 HB VAL A 42 8.312 -3.018 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.452 -5.167 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.505 -5.268 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.774 -6.049 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.964 -3.804 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.345 -4.669 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.268 -2.893 2.221 1.00 0.00 H new ATOM 647 N HIS A 43 10.319 -1.895 -1.646 1.00 0.00 N ATOM 648 CA HIS A 43 11.006 -0.647 -1.952 1.00 0.00 C ATOM 649 C HIS A 43 10.162 0.231 -2.871 1.00 0.00 C ATOM 650 O HIS A 43 9.204 -0.241 -3.486 1.00 0.00 O ATOM 651 CB HIS A 43 12.344 -0.930 -2.652 1.00 0.00 C ATOM 652 CG HIS A 43 13.098 -2.132 -2.143 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.241 -2.088 -1.343 1.00 0.00 N ATOM 654 CD2 HIS A 43 12.781 -3.437 -2.397 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.580 -3.369 -1.128 1.00 0.00 C ATOM 656 NE2 HIS A 43 13.723 -4.197 -1.741 1.00 0.00 N ATOM 0 H HIS A 43 9.631 -2.179 -2.344 1.00 0.00 H new ATOM 0 HA HIS A 43 11.177 -0.129 -1.008 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.156 -1.064 -3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.982 -0.052 -2.549 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.719 -1.257 -0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 43 11.957 -3.799 -2.993 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.428 -3.689 -0.541 1.00 0.00 H new ATOM 664 N ARG A 44 10.518 1.516 -2.968 1.00 0.00 N ATOM 665 CA ARG A 44 9.913 2.404 -3.951 1.00 0.00 C ATOM 666 C ARG A 44 10.506 2.087 -5.318 1.00 0.00 C ATOM 667 O ARG A 44 11.575 1.480 -5.406 1.00 0.00 O ATOM 668 CB ARG A 44 10.116 3.874 -3.569 1.00 0.00 C ATOM 669 CG ARG A 44 11.598 4.227 -3.421 1.00 0.00 C ATOM 670 CD ARG A 44 11.762 5.696 -3.037 1.00 0.00 C ATOM 671 NE ARG A 44 13.160 5.998 -2.702 1.00 0.00 N ATOM 672 CZ ARG A 44 13.854 7.051 -3.143 1.00 0.00 C ATOM 673 NH1 ARG A 44 13.305 7.946 -3.960 1.00 0.00 N ATOM 674 NH2 ARG A 44 15.115 7.210 -2.762 1.00 0.00 N ATOM 0 H ARG A 44 11.221 1.959 -2.376 1.00 0.00 H new ATOM 0 HA ARG A 44 8.836 2.241 -3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.665 4.512 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.599 4.080 -2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.055 3.593 -2.661 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.120 4.029 -4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.437 6.330 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.122 5.927 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 44 13.642 5.349 -2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.337 7.835 -4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.852 8.743 -4.285 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.548 6.531 -2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.651 8.011 -3.095 1.00 0.00 H new ATOM 688 N GLU A 45 9.817 2.494 -6.382 1.00 0.00 N ATOM 689 CA GLU A 45 10.233 2.204 -7.748 1.00 0.00 C ATOM 690 C GLU A 45 11.700 2.547 -7.996 1.00 0.00 C ATOM 691 O GLU A 45 12.392 1.850 -8.734 1.00 0.00 O ATOM 692 CB GLU A 45 9.377 3.024 -8.714 1.00 0.00 C ATOM 693 CG GLU A 45 7.892 2.773 -8.476 1.00 0.00 C ATOM 694 CD GLU A 45 7.050 3.535 -9.494 1.00 0.00 C ATOM 695 OE1 GLU A 45 6.807 2.969 -10.584 1.00 0.00 O ATOM 696 OE2 GLU A 45 6.658 4.677 -9.172 1.00 0.00 O ATOM 0 H GLU A 45 8.954 3.034 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 45 10.104 1.134 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.595 4.085 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.633 2.766 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.682 1.706 -8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.622 3.084 -7.467 1.00 0.00 H new ATOM 703 N GLU A 46 12.175 3.628 -7.370 1.00 0.00 N ATOM 704 CA GLU A 46 13.530 4.111 -7.596 1.00 0.00 C ATOM 705 C GLU A 46 14.596 3.135 -7.098 1.00 0.00 C ATOM 706 O GLU A 46 15.680 3.079 -7.675 1.00 0.00 O ATOM 707 CB GLU A 46 13.714 5.474 -6.920 1.00 0.00 C ATOM 708 CG GLU A 46 12.737 6.511 -7.479 1.00 0.00 C ATOM 709 CD GLU A 46 12.969 6.736 -8.971 1.00 0.00 C ATOM 710 OE1 GLU A 46 13.923 7.470 -9.307 1.00 0.00 O ATOM 711 OE2 GLU A 46 12.186 6.169 -9.771 1.00 0.00 O ATOM 0 H GLU A 46 11.637 4.182 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 46 13.662 4.205 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.563 5.372 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.737 5.820 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.713 6.177 -7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.855 7.453 -6.943 1.00 0.00 H new ATOM 718 N ILE A 47 14.314 2.370 -6.039 1.00 0.00 N ATOM 719 CA ILE A 47 15.256 1.372 -5.540 1.00 0.00 C ATOM 720 C ILE A 47 14.981 0.040 -6.234 1.00 0.00 C ATOM 721 O ILE A 47 15.901 -0.739 -6.481 1.00 0.00 O ATOM 722 CB ILE A 47 15.103 1.210 -4.017 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.826 2.304 -3.233 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.711 -0.115 -3.544 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.325 3.701 -3.569 1.00 0.00 C ATOM 0 H ILE A 47 13.441 2.425 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 47 16.275 1.696 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 47 14.030 1.258 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.698 2.124 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.895 2.247 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.590 -0.206 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.204 -0.944 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.772 -0.138 -3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.875 4.436 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.478 3.897 -4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.263 3.772 -3.336 1.00 0.00 H new ATOM 737 N TYR A 48 13.711 -0.215 -6.550 1.00 0.00 N ATOM 738 CA TYR A 48 13.286 -1.473 -7.133 1.00 0.00 C ATOM 739 C TYR A 48 14.004 -1.764 -8.450 1.00 0.00 C ATOM 740 O TYR A 48 14.254 -2.922 -8.774 1.00 0.00 O ATOM 741 CB TYR A 48 11.780 -1.398 -7.358 1.00 0.00 C ATOM 742 CG TYR A 48 11.225 -2.635 -8.011 1.00 0.00 C ATOM 743 CD1 TYR A 48 10.939 -3.776 -7.247 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.007 -2.635 -9.397 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.430 -4.925 -7.870 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.503 -3.777 -10.025 1.00 0.00 C ATOM 747 CZ TYR A 48 10.205 -4.927 -9.263 1.00 0.00 C ATOM 748 OH TYR A 48 9.700 -6.040 -9.871 1.00 0.00 O ATOM 0 H TYR A 48 12.952 0.451 -6.406 1.00 0.00 H new ATOM 0 HA TYR A 48 13.538 -2.286 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.282 -1.243 -6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.553 -0.532 -7.979 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.110 -3.770 -6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.229 -1.752 -9.979 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.211 -5.806 -7.285 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.342 -3.780 -11.093 1.00 0.00 H new ATOM 0 HH TYR A 48 9.605 -5.873 -10.832 1.00 0.00 H new ATOM 1605 N MET C 1 8.428 -2.261 10.690 1.00 0.00 N ATOM 1606 CA MET C 1 7.827 -1.420 9.635 1.00 0.00 C ATOM 1607 C MET C 1 8.903 -0.892 8.697 1.00 0.00 C ATOM 1608 O MET C 1 9.980 -0.504 9.146 1.00 0.00 O ATOM 1609 CB MET C 1 7.065 -0.250 10.261 1.00 0.00 C ATOM 1610 CG MET C 1 6.203 0.507 9.249 1.00 0.00 C ATOM 1611 SD MET C 1 4.627 -0.291 8.873 1.00 0.00 S ATOM 1612 CE MET C 1 3.770 0.162 10.401 1.00 0.00 C ATOM 0 H1 MET C 1 7.969 -2.056 11.601 1.00 0.00 H new ATOM 0 H2 MET C 1 8.294 -3.265 10.452 1.00 0.00 H new ATOM 0 H3 MET C 1 9.445 -2.055 10.761 1.00 0.00 H new ATOM 0 HA MET C 1 7.131 -2.033 9.062 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.430 -0.624 11.064 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.777 0.441 10.713 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.008 1.508 9.633 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.768 0.624 8.324 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.372 -0.735 10.875 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.469 0.651 11.079 1.00 0.00 H new ATOM 0 HE3 MET C 1 2.952 0.844 10.171 1.00 0.00 H new ATOM 1624 N LEU C 2 8.606 -0.878 7.398 1.00 0.00 N ATOM 1625 CA LEU C 2 9.449 -0.260 6.383 1.00 0.00 C ATOM 1626 C LEU C 2 8.559 0.784 5.723 1.00 0.00 C ATOM 1627 O LEU C 2 7.450 0.468 5.303 1.00 0.00 O ATOM 1628 CB LEU C 2 9.962 -1.343 5.434 1.00 0.00 C ATOM 1629 CG LEU C 2 10.870 -0.837 4.306 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.057 -0.241 3.158 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.877 0.199 4.803 1.00 0.00 C ATOM 0 H LEU C 2 7.760 -1.303 7.019 1.00 0.00 H new ATOM 0 HA LEU C 2 10.345 0.224 6.770 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.509 -2.085 6.015 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.106 -1.852 4.991 1.00 0.00 H new ATOM 0 HG LEU C 2 11.418 -1.706 3.942 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.732 0.107 2.376 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.392 -1.002 2.750 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.466 0.597 3.527 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.499 0.530 3.971 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.344 1.054 5.220 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.507 -0.246 5.573 1.00 0.00 H new ATOM 1643 N ILE C 3 9.031 2.026 5.628 1.00 0.00 N ATOM 1644 CA ILE C 3 8.166 3.139 5.275 1.00 0.00 C ATOM 1645 C ILE C 3 8.686 3.880 4.062 1.00 0.00 C ATOM 1646 O ILE C 3 9.893 3.997 3.855 1.00 0.00 O ATOM 1647 CB ILE C 3 8.070 4.067 6.491 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.532 3.238 7.659 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.168 5.276 6.232 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.671 3.973 8.980 1.00 0.00 C ATOM 0 H ILE C 3 10.005 2.281 5.791 1.00 0.00 H new ATOM 0 HA ILE C 3 7.176 2.767 5.010 1.00 0.00 H new ATOM 0 HB ILE C 3 9.058 4.469 6.715 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.483 3.000 7.484 1.00 0.00 H new ATOM 0 HG13 ILE C 3 8.069 2.291 7.711 1.00 0.00 H new ATOM 0 HG21 ILE C 3 7.133 5.902 7.124 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.565 5.854 5.398 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.162 4.934 5.990 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.278 3.352 9.785 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.723 4.188 9.168 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.112 4.908 8.937 1.00 0.00 H new ATOM 1662 N LEU C 4 7.736 4.379 3.270 1.00 0.00 N ATOM 1663 CA LEU C 4 7.988 5.066 2.017 1.00 0.00 C ATOM 1664 C LEU C 4 6.963 6.180 1.849 1.00 0.00 C ATOM 1665 O LEU C 4 5.878 6.131 2.431 1.00 0.00 O ATOM 1666 CB LEU C 4 7.895 4.064 0.865 1.00 0.00 C ATOM 1667 CG LEU C 4 9.006 3.015 0.954 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.811 1.953 -0.117 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.378 3.641 0.724 1.00 0.00 C ATOM 0 H LEU C 4 6.744 4.311 3.495 1.00 0.00 H new ATOM 0 HA LEU C 4 8.987 5.503 2.017 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.923 3.571 0.886 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.965 4.592 -0.086 1.00 0.00 H new ATOM 0 HG LEU C 4 8.956 2.580 1.952 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.607 1.212 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.847 1.465 0.026 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.839 2.420 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU C 4 11.146 2.870 0.794 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.409 4.096 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.561 4.405 1.480 1.00 0.00 H new ATOM 1681 N THR C 5 7.305 7.189 1.047 1.00 0.00 N ATOM 1682 CA THR C 5 6.411 8.306 0.793 1.00 0.00 C ATOM 1683 C THR C 5 6.267 8.489 -0.710 1.00 0.00 C ATOM 1684 O THR C 5 7.219 8.304 -1.469 1.00 0.00 O ATOM 1685 CB THR C 5 6.930 9.564 1.484 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.126 9.288 2.851 1.00 0.00 O ATOM 1687 CG2 THR C 5 5.922 10.709 1.379 1.00 0.00 C ATOM 0 H THR C 5 8.201 7.250 0.563 1.00 0.00 H new ATOM 0 HA THR C 5 5.423 8.104 1.207 1.00 0.00 H new ATOM 0 HB THR C 5 7.860 9.858 0.998 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.461 10.091 3.302 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.320 11.591 1.880 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.741 10.939 0.329 1.00 0.00 H new ATOM 0 HG23 THR C 5 4.986 10.414 1.853 1.00 0.00 H new ATOM 1695 N ARG C 6 5.055 8.857 -1.121 1.00 0.00 N ATOM 1696 CA ARG C 6 4.635 8.924 -2.511 1.00 0.00 C ATOM 1697 C ARG C 6 3.677 10.093 -2.675 1.00 0.00 C ATOM 1698 O ARG C 6 3.420 10.814 -1.712 1.00 0.00 O ATOM 1699 CB ARG C 6 3.899 7.621 -2.865 1.00 0.00 C ATOM 1700 CG ARG C 6 4.777 6.367 -2.844 1.00 0.00 C ATOM 1701 CD ARG C 6 5.534 6.139 -4.155 1.00 0.00 C ATOM 1702 NE ARG C 6 6.591 7.121 -4.392 1.00 0.00 N ATOM 1703 CZ ARG C 6 7.442 7.056 -5.421 1.00 0.00 C ATOM 1704 NH1 ARG C 6 7.380 6.041 -6.284 1.00 0.00 N ATOM 1705 NH2 ARG C 6 8.353 8.003 -5.590 1.00 0.00 N ATOM 0 H ARG C 6 4.317 9.125 -0.470 1.00 0.00 H new ATOM 0 HA ARG C 6 5.499 9.055 -3.162 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.075 7.483 -2.165 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.461 7.725 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG C 6 5.494 6.447 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG C 6 4.153 5.498 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.971 5.141 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG C 6 4.827 6.169 -4.984 1.00 0.00 H new ATOM 0 HE ARG C 6 6.684 7.897 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG C 6 6.681 5.309 -6.161 1.00 0.00 H new ATOM 0 HH12 ARG C 6 8.032 5.997 -7.067 1.00 0.00 H new ATOM 0 HH21 ARG C 6 8.406 8.783 -4.935 1.00 0.00 H new ATOM 0 HH22 ARG C 6 9.002 7.952 -6.375 1.00 0.00 H new ATOM 1719 N LYS C 7 3.155 10.279 -3.885 1.00 0.00 N ATOM 1720 CA LYS C 7 2.062 11.208 -4.136 1.00 0.00 C ATOM 1721 C LYS C 7 1.046 10.546 -5.041 1.00 0.00 C ATOM 1722 O LYS C 7 1.346 9.525 -5.661 1.00 0.00 O ATOM 1723 CB LYS C 7 2.559 12.526 -4.737 1.00 0.00 C ATOM 1724 CG LYS C 7 3.007 12.389 -6.195 1.00 0.00 C ATOM 1725 CD LYS C 7 3.257 13.766 -6.815 1.00 0.00 C ATOM 1726 CE LYS C 7 4.239 14.574 -5.971 1.00 0.00 C ATOM 1727 NZ LYS C 7 5.548 13.906 -5.879 1.00 0.00 N ATOM 0 H LYS C 7 3.480 9.788 -4.718 1.00 0.00 H new ATOM 0 HA LYS C 7 1.593 11.458 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS C 7 1.764 13.269 -4.676 1.00 0.00 H new ATOM 0 HB3 LYS C 7 3.391 12.900 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.917 11.791 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.245 11.860 -6.767 1.00 0.00 H new ATOM 0 HD2 LYS C 7 3.650 13.648 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS C 7 2.315 14.307 -6.901 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.365 15.565 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS C 7 3.830 14.715 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 6.225 14.534 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.450 13.024 -5.336 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 5.894 13.687 -6.835 1.00 0.00 H new ATOM 1741 N VAL C 8 -0.153 11.113 -5.118 1.00 0.00 N ATOM 1742 CA VAL C 8 -1.207 10.517 -5.920 1.00 0.00 C ATOM 1743 C VAL C 8 -0.750 10.282 -7.356 1.00 0.00 C ATOM 1744 O VAL C 8 -0.400 11.213 -8.080 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.493 11.335 -5.814 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.850 11.428 -4.334 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.398 12.750 -6.375 1.00 0.00 C ATOM 0 H VAL C 8 -0.415 11.975 -4.639 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.436 9.529 -5.521 1.00 0.00 H new ATOM 0 HB VAL C 8 -3.247 10.825 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.766 12.007 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -3.000 10.426 -3.932 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -2.040 11.918 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.357 13.254 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.628 13.304 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -2.140 12.705 -7.433 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.764 9.009 -7.747 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.374 8.566 -9.081 1.00 0.00 C ATOM 1759 C GLY C 9 0.934 7.765 -9.081 1.00 0.00 C ATOM 1760 O GLY C 9 1.220 7.069 -10.053 1.00 0.00 O ATOM 0 H GLY C 9 -1.051 8.245 -7.135 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -1.170 7.953 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -0.263 9.435 -9.730 1.00 0.00 H new ATOM 1764 N GLU C 10 1.730 7.849 -8.009 1.00 0.00 N ATOM 1765 CA GLU C 10 2.990 7.118 -7.907 1.00 0.00 C ATOM 1766 C GLU C 10 2.753 5.676 -7.450 1.00 0.00 C ATOM 1767 O GLU C 10 1.621 5.290 -7.155 1.00 0.00 O ATOM 1768 CB GLU C 10 3.945 7.833 -6.952 1.00 0.00 C ATOM 1769 CG GLU C 10 4.228 9.269 -7.399 1.00 0.00 C ATOM 1770 CD GLU C 10 5.486 9.813 -6.726 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.508 9.826 -5.476 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.411 10.212 -7.467 1.00 0.00 O ATOM 0 H GLU C 10 1.517 8.424 -7.194 1.00 0.00 H new ATOM 0 HA GLU C 10 3.445 7.087 -8.897 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.517 7.842 -5.950 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.882 7.279 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.348 9.300 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.377 9.904 -7.155 1.00 0.00 H new ATOM 1779 N SER C 11 3.820 4.868 -7.381 1.00 0.00 N ATOM 1780 CA SER C 11 3.704 3.445 -7.071 1.00 0.00 C ATOM 1781 C SER C 11 4.829 2.947 -6.160 1.00 0.00 C ATOM 1782 O SER C 11 5.795 3.661 -5.896 1.00 0.00 O ATOM 1783 CB SER C 11 3.699 2.643 -8.375 1.00 0.00 C ATOM 1784 OG SER C 11 2.585 2.991 -9.168 1.00 0.00 O ATOM 0 H SER C 11 4.777 5.183 -7.538 1.00 0.00 H new ATOM 0 HA SER C 11 2.769 3.301 -6.530 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.619 2.832 -8.928 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.675 1.576 -8.152 1.00 0.00 H new ATOM 0 HG SER C 11 2.599 2.470 -9.998 1.00 0.00 H new ATOM 1790 N ILE C 12 4.677 1.705 -5.689 1.00 0.00 N ATOM 1791 CA ILE C 12 5.569 1.021 -4.756 1.00 0.00 C ATOM 1792 C ILE C 12 5.623 -0.453 -5.169 1.00 0.00 C ATOM 1793 O ILE C 12 4.737 -0.913 -5.882 1.00 0.00 O ATOM 1794 CB ILE C 12 5.012 1.177 -3.329 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.010 2.641 -2.877 1.00 0.00 C ATOM 1796 CG2 ILE C 12 5.766 0.323 -2.300 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.408 3.198 -2.617 1.00 0.00 C ATOM 0 H ILE C 12 3.886 1.122 -5.965 1.00 0.00 H new ATOM 0 HA ILE C 12 6.574 1.442 -4.776 1.00 0.00 H new ATOM 0 HB ILE C 12 3.984 0.817 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.521 3.248 -3.639 1.00 0.00 H new ATOM 0 HG13 ILE C 12 4.416 2.732 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.330 0.474 -1.313 1.00 0.00 H new ATOM 0 HG22 ILE C 12 5.689 -0.729 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE C 12 6.815 0.617 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.332 4.238 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE C 12 6.892 2.615 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE C 12 6.999 3.139 -3.531 1.00 0.00 H new ATOM 1809 N ASN C 13 6.644 -1.200 -4.734 1.00 0.00 N ATOM 1810 CA ASN C 13 6.820 -2.585 -5.157 1.00 0.00 C ATOM 1811 C ASN C 13 7.053 -3.517 -3.967 1.00 0.00 C ATOM 1812 O ASN C 13 7.583 -3.105 -2.933 1.00 0.00 O ATOM 1813 CB ASN C 13 8.003 -2.658 -6.125 1.00 0.00 C ATOM 1814 CG ASN C 13 7.751 -1.860 -7.396 1.00 0.00 C ATOM 1815 OD1 ASN C 13 8.242 -0.745 -7.545 1.00 0.00 O ATOM 1816 ND2 ASN C 13 6.979 -2.421 -8.324 1.00 0.00 N ATOM 0 H ASN C 13 7.359 -0.864 -4.089 1.00 0.00 H new ATOM 0 HA ASN C 13 5.907 -2.917 -5.651 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.899 -2.280 -5.632 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.196 -3.699 -6.383 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.780 -1.922 -9.191 1.00 0.00 H new ATOM 0 HD22 ASN C 13 6.587 -3.350 -8.168 1.00 0.00 H new ATOM 1823 N ILE C 14 6.647 -4.781 -4.135 1.00 0.00 N ATOM 1824 CA ILE C 14 6.771 -5.824 -3.122 1.00 0.00 C ATOM 1825 C ILE C 14 7.102 -7.151 -3.809 1.00 0.00 C ATOM 1826 O ILE C 14 6.461 -7.524 -4.792 1.00 0.00 O ATOM 1827 CB ILE C 14 5.454 -5.966 -2.343 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.079 -4.641 -1.662 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.568 -7.105 -1.319 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.757 -4.733 -0.902 1.00 0.00 C ATOM 0 H ILE C 14 6.215 -5.109 -4.999 1.00 0.00 H new ATOM 0 HA ILE C 14 7.566 -5.556 -2.426 1.00 0.00 H new ATOM 0 HB ILE C 14 4.656 -6.214 -3.043 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.872 -4.352 -0.973 1.00 0.00 H new ATOM 0 HG13 ILE C 14 5.009 -3.856 -2.414 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.630 -7.198 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.780 -8.040 -1.837 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.375 -6.886 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.536 -3.772 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.957 -4.994 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.834 -5.499 -0.130 1.00 0.00 H new ATOM 1842 N GLY C 15 8.104 -7.864 -3.286 1.00 0.00 N ATOM 1843 CA GLY C 15 8.523 -9.141 -3.836 1.00 0.00 C ATOM 1844 C GLY C 15 8.820 -9.020 -5.330 1.00 0.00 C ATOM 1845 O GLY C 15 9.331 -7.999 -5.789 1.00 0.00 O ATOM 0 H GLY C 15 8.641 -7.567 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.411 -9.493 -3.312 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.742 -9.884 -3.675 1.00 0.00 H new ATOM 1849 N ASP C 16 8.494 -10.075 -6.078 1.00 0.00 N ATOM 1850 CA ASP C 16 8.665 -10.112 -7.522 1.00 0.00 C ATOM 1851 C ASP C 16 7.340 -10.449 -8.213 1.00 0.00 C ATOM 1852 O ASP C 16 7.327 -10.807 -9.388 1.00 0.00 O ATOM 1853 CB ASP C 16 9.792 -11.075 -7.889 1.00 0.00 C ATOM 1854 CG ASP C 16 9.479 -12.526 -7.523 1.00 0.00 C ATOM 1855 OD1 ASP C 16 9.418 -12.818 -6.307 1.00 0.00 O ATOM 1856 OD2 ASP C 16 9.303 -13.333 -8.465 1.00 0.00 O ATOM 0 H ASP C 16 8.101 -10.933 -5.691 1.00 0.00 H new ATOM 0 HA ASP C 16 8.957 -9.126 -7.882 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.985 -11.009 -8.960 1.00 0.00 H new ATOM 0 HB3 ASP C 16 10.706 -10.767 -7.381 1.00 0.00 H new ATOM 1861 N ASP C 17 6.228 -10.336 -7.479 1.00 0.00 N ATOM 1862 CA ASP C 17 4.901 -10.652 -7.991 1.00 0.00 C ATOM 1863 C ASP C 17 3.863 -9.596 -7.603 1.00 0.00 C ATOM 1864 O ASP C 17 2.699 -9.746 -7.967 1.00 0.00 O ATOM 1865 CB ASP C 17 4.449 -12.019 -7.467 1.00 0.00 C ATOM 1866 CG ASP C 17 5.360 -13.152 -7.929 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.313 -13.473 -9.137 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.099 -13.691 -7.072 1.00 0.00 O ATOM 0 H ASP C 17 6.229 -10.021 -6.509 1.00 0.00 H new ATOM 0 HA ASP C 17 4.973 -10.669 -9.079 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.426 -11.997 -6.377 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.431 -12.215 -7.804 1.00 0.00 H new ATOM 1873 N ILE C 18 4.239 -8.533 -6.875 1.00 0.00 N ATOM 1874 CA ILE C 18 3.264 -7.543 -6.434 1.00 0.00 C ATOM 1875 C ILE C 18 3.759 -6.118 -6.650 1.00 0.00 C ATOM 1876 O ILE C 18 4.954 -5.836 -6.564 1.00 0.00 O ATOM 1877 CB ILE C 18 2.919 -7.758 -4.951 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.469 -9.190 -4.641 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.800 -6.804 -4.523 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.650 -10.036 -4.165 1.00 0.00 C ATOM 0 H ILE C 18 5.199 -8.345 -6.586 1.00 0.00 H new ATOM 0 HA ILE C 18 2.368 -7.678 -7.040 1.00 0.00 H new ATOM 0 HB ILE C 18 3.837 -7.561 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.694 -9.175 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE C 18 2.029 -9.639 -5.531 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.566 -6.967 -3.471 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.125 -5.774 -4.667 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.912 -6.992 -5.126 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.309 -11.049 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.412 -10.067 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE C 18 4.072 -9.596 -3.261 1.00 0.00 H new ATOM 1892 N THR C 19 2.809 -5.223 -6.930 1.00 0.00 N ATOM 1893 CA THR C 19 3.033 -3.794 -7.073 1.00 0.00 C ATOM 1894 C THR C 19 1.840 -3.079 -6.446 1.00 0.00 C ATOM 1895 O THR C 19 0.746 -3.640 -6.371 1.00 0.00 O ATOM 1896 CB THR C 19 3.182 -3.442 -8.563 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.308 -4.113 -9.088 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.380 -1.946 -8.793 1.00 0.00 C ATOM 0 H THR C 19 1.833 -5.488 -7.067 1.00 0.00 H new ATOM 0 HA THR C 19 3.949 -3.482 -6.572 1.00 0.00 H new ATOM 0 HB THR C 19 2.261 -3.748 -9.058 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.406 -3.893 -10.038 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.480 -1.752 -9.861 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.520 -1.401 -8.404 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.282 -1.615 -8.278 1.00 0.00 H new ATOM 1906 N ILE C 20 2.046 -1.842 -5.992 1.00 0.00 N ATOM 1907 CA ILE C 20 1.039 -1.050 -5.299 1.00 0.00 C ATOM 1908 C ILE C 20 1.023 0.344 -5.913 1.00 0.00 C ATOM 1909 O ILE C 20 2.055 0.823 -6.377 1.00 0.00 O ATOM 1910 CB ILE C 20 1.397 -0.977 -3.806 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.512 -2.364 -3.167 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.371 -0.134 -3.040 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.174 -3.103 -3.097 1.00 0.00 C ATOM 0 H ILE C 20 2.937 -1.356 -6.100 1.00 0.00 H new ATOM 0 HA ILE C 20 0.052 -1.502 -5.399 1.00 0.00 H new ATOM 0 HB ILE C 20 2.375 -0.500 -3.742 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.222 -2.963 -3.737 1.00 0.00 H new ATOM 0 HG13 ILE C 20 1.917 -2.262 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.645 -0.097 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.355 0.877 -3.447 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.617 -0.582 -3.142 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.321 -4.079 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.532 -2.523 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.222 -3.235 -4.104 1.00 0.00 H new ATOM 1925 N THR C 21 -0.140 1.000 -5.916 1.00 0.00 N ATOM 1926 CA THR C 21 -0.282 2.320 -6.515 1.00 0.00 C ATOM 1927 C THR C 21 -1.276 3.159 -5.724 1.00 0.00 C ATOM 1928 O THR C 21 -2.371 2.700 -5.405 1.00 0.00 O ATOM 1929 CB THR C 21 -0.777 2.168 -7.959 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.101 1.344 -8.699 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.866 3.518 -8.664 1.00 0.00 C ATOM 0 H THR C 21 -0.999 0.632 -5.507 1.00 0.00 H new ATOM 0 HA THR C 21 0.686 2.821 -6.503 1.00 0.00 H new ATOM 0 HB THR C 21 -1.769 1.719 -7.909 1.00 0.00 H new ATOM 0 HG1 THR C 21 0.937 1.826 -8.869 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.220 3.373 -9.685 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.561 4.164 -8.127 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.119 3.983 -8.684 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.897 4.398 -5.401 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.770 5.345 -4.726 1.00 0.00 C ATOM 1941 C ILE C 22 -2.593 6.046 -5.808 1.00 0.00 C ATOM 1942 O ILE C 22 -2.134 7.012 -6.414 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.927 6.308 -3.867 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.727 7.521 -3.385 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.312 6.829 -4.596 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.978 7.104 -2.619 1.00 0.00 C ATOM 0 H ILE C 22 0.031 4.769 -5.604 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.457 4.858 -4.034 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.619 5.704 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -1.098 8.141 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -2.012 8.133 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.864 7.502 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE C 22 0.950 5.990 -4.875 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.007 7.367 -5.493 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.519 7.993 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.619 6.506 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.692 6.514 -1.748 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.812 5.561 -6.061 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.619 6.077 -7.159 1.00 0.00 C ATOM 1960 C LEU C 23 -5.022 7.523 -6.876 1.00 0.00 C ATOM 1961 O LEU C 23 -5.213 8.309 -7.804 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.865 5.212 -7.391 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.644 3.727 -7.089 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -6.982 3.009 -7.210 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.641 3.098 -8.052 1.00 0.00 C ATOM 0 H LEU C 23 -4.255 4.817 -5.522 1.00 0.00 H new ATOM 0 HA LEU C 23 -4.017 6.044 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.677 5.584 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.184 5.320 -8.428 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.238 3.631 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.846 1.948 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.689 3.434 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.370 3.130 -8.221 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.511 2.044 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -5.011 3.189 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.683 3.611 -7.966 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.151 7.874 -5.592 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.417 9.236 -5.175 1.00 0.00 C ATOM 1979 C GLY C 24 -6.059 9.275 -3.795 1.00 0.00 C ATOM 1980 O GLY C 24 -6.131 8.254 -3.110 1.00 0.00 O ATOM 0 H GLY C 24 -5.072 7.213 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.486 9.803 -5.162 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.074 9.719 -5.898 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.528 10.454 -3.381 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.221 10.595 -2.106 1.00 0.00 C ATOM 1986 C VAL C 25 -8.615 11.175 -2.327 1.00 0.00 C ATOM 1987 O VAL C 25 -8.947 11.616 -3.429 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.403 11.410 -1.089 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.912 11.061 -1.140 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.555 12.917 -1.291 1.00 0.00 C ATOM 0 H VAL C 25 -6.439 11.321 -3.911 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.335 9.603 -1.669 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.807 11.140 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.373 11.660 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.778 10.003 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.523 11.272 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.958 13.446 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -6.213 13.187 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.603 13.195 -1.179 1.00 0.00 H new ATOM 2000 N SER C 26 -9.431 11.170 -1.270 1.00 0.00 N ATOM 2001 CA SER C 26 -10.825 11.588 -1.316 1.00 0.00 C ATOM 2002 C SER C 26 -11.190 12.271 -0.001 1.00 0.00 C ATOM 2003 O SER C 26 -12.208 11.969 0.616 1.00 0.00 O ATOM 2004 CB SER C 26 -11.691 10.349 -1.543 1.00 0.00 C ATOM 2005 OG SER C 26 -11.835 10.094 -2.925 1.00 0.00 O ATOM 0 H SER C 26 -9.131 10.869 -0.343 1.00 0.00 H new ATOM 0 HA SER C 26 -10.990 12.296 -2.128 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.239 9.487 -1.053 1.00 0.00 H new ATOM 0 HB3 SER C 26 -12.671 10.495 -1.090 1.00 0.00 H new ATOM 0 HG SER C 26 -11.063 10.458 -3.407 1.00 0.00 H new ATOM 2011 N GLY C 27 -10.342 13.202 0.432 1.00 0.00 N ATOM 2012 CA GLY C 27 -10.444 13.805 1.748 1.00 0.00 C ATOM 2013 C GLY C 27 -9.332 13.209 2.602 1.00 0.00 C ATOM 2014 O GLY C 27 -8.240 12.959 2.093 1.00 0.00 O ATOM 0 H GLY C 27 -9.565 13.556 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -10.342 14.888 1.684 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -11.420 13.602 2.190 1.00 0.00 H new ATOM 2018 N GLN C 28 -9.583 12.973 3.891 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.575 12.342 4.729 1.00 0.00 C ATOM 2020 C GLN C 28 -8.606 10.820 4.549 1.00 0.00 C ATOM 2021 O GLN C 28 -7.836 10.088 5.186 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.741 12.787 6.183 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.442 12.576 6.965 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.271 13.304 6.315 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -5.577 12.635 5.399 1.00 0.00 O flip ATOM 2026 NE2 GLN C 28 -5.997 14.460 6.628 1.00 0.00 N flip ATOM 0 H GLN C 28 -10.456 13.205 4.365 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.582 12.666 4.418 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.025 13.839 6.216 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -9.549 12.224 6.651 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.570 12.932 7.987 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -7.221 11.510 7.024 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -6.552 14.942 7.335 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -5.215 14.938 6.181 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.500 10.342 3.679 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.485 8.964 3.223 1.00 0.00 C ATOM 2037 C GLN C 29 -8.593 8.875 1.987 1.00 0.00 C ATOM 2038 O GLN C 29 -8.315 9.881 1.335 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.897 8.447 2.933 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.643 9.281 1.896 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.914 8.571 1.444 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -13.082 8.290 0.261 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.819 8.273 2.370 1.00 0.00 N ATOM 0 H GLN C 29 -10.250 10.904 3.276 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.084 8.327 4.011 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.835 7.416 2.584 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.470 8.435 3.860 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.895 10.254 2.318 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.998 9.464 1.037 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.651 8.519 3.345 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.682 7.798 2.105 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.143 7.665 1.665 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.166 7.417 0.614 1.00 0.00 C ATOM 2054 C VAL C 30 -7.609 6.196 -0.181 1.00 0.00 C ATOM 2055 O VAL C 30 -8.246 5.298 0.369 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.791 7.183 1.257 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.726 6.924 0.196 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.355 8.397 2.076 1.00 0.00 C ATOM 0 H VAL C 30 -8.454 6.816 2.137 1.00 0.00 H new ATOM 0 HA VAL C 30 -7.094 8.271 -0.060 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.890 6.312 1.905 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.763 6.762 0.679 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.996 6.040 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.658 7.785 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.378 8.205 2.520 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.293 9.270 1.427 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -6.083 8.583 2.866 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.271 6.159 -1.472 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.668 5.066 -2.343 1.00 0.00 C ATOM 2070 C ARG C 31 -6.437 4.508 -3.046 1.00 0.00 C ATOM 2071 O ARG C 31 -5.686 5.234 -3.705 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.741 5.554 -3.314 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.429 4.370 -3.998 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.731 4.824 -4.662 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.720 5.231 -3.654 1.00 0.00 N ATOM 2076 CZ ARG C 31 -12.052 6.494 -3.375 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -11.483 7.510 -4.020 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.957 6.757 -2.437 1.00 0.00 N ATOM 0 H ARG C 31 -6.719 6.882 -1.934 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.106 4.250 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.479 6.150 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -8.291 6.203 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.764 3.936 -4.745 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.639 3.590 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.529 5.657 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -11.136 4.014 -5.268 1.00 0.00 H new ATOM 0 HE ARG C 31 -12.188 4.493 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.782 7.329 -4.739 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.748 8.469 -3.795 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -13.400 5.993 -1.928 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -13.208 7.723 -2.227 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.252 3.200 -2.882 1.00 0.00 N ATOM 2093 CA ILE C 32 -5.031 2.512 -3.259 1.00 0.00 C ATOM 2094 C ILE C 32 -5.389 1.306 -4.118 1.00 0.00 C ATOM 2095 O ILE C 32 -6.428 0.677 -3.908 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.319 2.052 -1.973 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.137 3.216 -0.988 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -2.962 1.433 -2.308 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.697 2.726 0.396 1.00 0.00 C ATOM 0 H ILE C 32 -6.958 2.585 -2.478 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.374 3.171 -3.827 1.00 0.00 H new ATOM 0 HB ILE C 32 -4.947 1.299 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.395 3.912 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -5.074 3.766 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.471 1.113 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.106 0.572 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.340 2.172 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.579 3.579 1.064 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.451 2.051 0.800 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.747 2.199 0.310 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.529 0.986 -5.084 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.721 -0.160 -5.953 1.00 0.00 C ATOM 2113 C GLY C 33 -3.589 -1.151 -5.738 1.00 0.00 C ATOM 2114 O GLY C 33 -2.513 -0.798 -5.251 1.00 0.00 O ATOM 0 H GLY C 33 -3.681 1.518 -5.281 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.679 -0.634 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.746 0.160 -6.995 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.847 -2.403 -6.106 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.920 -3.497 -5.904 1.00 0.00 C ATOM 2120 C ILE C 34 -2.859 -4.299 -7.195 1.00 0.00 C ATOM 2121 O ILE C 34 -3.848 -4.402 -7.915 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.400 -4.356 -4.721 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.555 -3.481 -3.472 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.411 -5.492 -4.448 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.161 -4.253 -2.299 1.00 0.00 C ATOM 0 H ILE C 34 -4.718 -2.683 -6.558 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.920 -3.135 -5.663 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.366 -4.792 -4.974 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.580 -3.088 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.187 -2.624 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.766 -6.090 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.328 -6.123 -5.333 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.434 -5.074 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.252 -3.592 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.148 -4.623 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.516 -5.094 -2.045 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.692 -4.864 -7.475 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.440 -5.559 -8.720 1.00 0.00 C ATOM 2139 C ASN C 35 -0.650 -6.826 -8.418 1.00 0.00 C ATOM 2140 O ASN C 35 0.578 -6.811 -8.372 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.697 -4.624 -9.673 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.507 -5.236 -11.057 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.036 -6.300 -11.360 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.257 -4.559 -11.911 1.00 0.00 N ATOM 0 H ASN C 35 -0.894 -4.850 -6.840 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.371 -5.851 -9.207 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.250 -3.689 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.277 -4.378 -9.250 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.418 -4.923 -12.850 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.682 -3.677 -11.626 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.384 -7.920 -8.208 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.811 -9.204 -7.851 1.00 0.00 C ATOM 2153 C ALA C 36 -1.549 -10.334 -8.566 1.00 0.00 C ATOM 2154 O ALA C 36 -2.702 -10.170 -8.967 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.947 -9.389 -6.341 1.00 0.00 C ATOM 0 H ALA C 36 -2.401 -7.932 -8.283 1.00 0.00 H new ATOM 0 HA ALA C 36 0.237 -9.230 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.521 -10.350 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.416 -8.588 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.001 -9.361 -6.065 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.885 -11.485 -8.724 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.489 -12.691 -9.253 1.00 0.00 C ATOM 2163 C PRO C 37 -2.533 -13.252 -8.291 1.00 0.00 C ATOM 2164 O PRO C 37 -2.510 -12.955 -7.095 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.335 -13.679 -9.403 1.00 0.00 C ATOM 2166 CG PRO C 37 0.706 -13.201 -8.390 1.00 0.00 C ATOM 2167 CD PRO C 37 0.510 -11.691 -8.393 1.00 0.00 C ATOM 0 HA PRO C 37 -2.003 -12.500 -10.195 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.655 -14.699 -9.193 1.00 0.00 H new ATOM 0 HB3 PRO C 37 0.065 -13.673 -10.417 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.536 -13.629 -7.402 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.717 -13.478 -8.688 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.751 -11.262 -7.420 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.162 -11.212 -9.123 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.460 -14.065 -8.803 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.435 -14.765 -7.969 1.00 0.00 C ATOM 2177 C LYS C 38 -3.740 -15.853 -7.152 1.00 0.00 C ATOM 2178 O LYS C 38 -4.367 -16.534 -6.346 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.538 -15.353 -8.855 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.262 -14.261 -9.653 1.00 0.00 C ATOM 2181 CD LYS C 38 -6.979 -13.224 -8.778 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.382 -13.671 -8.358 1.00 0.00 C ATOM 2183 NZ LYS C 38 -8.350 -14.779 -7.383 1.00 0.00 N ATOM 0 H LYS C 38 -3.554 -14.255 -9.801 1.00 0.00 H new ATOM 0 HA LYS C 38 -4.892 -14.064 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.105 -16.080 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.257 -15.889 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.539 -13.749 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -6.991 -14.730 -10.314 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -6.382 -13.032 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.050 -12.283 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -8.916 -12.825 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -8.941 -13.983 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -9.127 -14.664 -6.702 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -8.459 -15.685 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -7.442 -14.770 -6.877 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.428 -16.005 -7.374 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.564 -16.887 -6.610 1.00 0.00 C ATOM 2199 C ASP C 39 -1.374 -16.367 -5.185 1.00 0.00 C ATOM 2200 O ASP C 39 -0.801 -17.056 -4.343 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.204 -16.969 -7.311 1.00 0.00 C ATOM 2202 CG ASP C 39 -0.290 -17.823 -8.570 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.235 -19.065 -8.424 1.00 0.00 O ATOM 2204 OD2 ASP C 39 -0.412 -17.232 -9.667 1.00 0.00 O ATOM 0 H ASP C 39 -1.934 -15.501 -8.111 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.024 -17.874 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP C 39 0.137 -15.967 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.535 -17.391 -6.630 1.00 0.00 H new ATOM 2209 N VAL C 40 -1.850 -15.148 -4.910 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.768 -14.523 -3.597 1.00 0.00 C ATOM 2211 C VAL C 40 -3.074 -13.797 -3.290 1.00 0.00 C ATOM 2212 O VAL C 40 -3.853 -13.499 -4.197 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.578 -13.553 -3.526 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.720 -14.240 -3.952 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.785 -12.343 -4.433 1.00 0.00 C ATOM 0 H VAL C 40 -2.309 -14.563 -5.608 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.610 -15.299 -2.848 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.509 -13.228 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.544 -13.530 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.919 -15.084 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.623 -14.597 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL C 40 0.076 -11.679 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -0.896 -12.676 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.684 -11.808 -4.126 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.316 -13.514 -2.009 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.555 -12.883 -1.587 1.00 0.00 C ATOM 2227 C ALA C 41 -4.295 -11.456 -1.126 1.00 0.00 C ATOM 2228 O ALA C 41 -3.218 -11.166 -0.606 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.157 -13.710 -0.453 1.00 0.00 C ATOM 0 H ALA C 41 -2.666 -13.714 -1.249 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.252 -12.841 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.089 -13.251 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.356 -14.722 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.456 -13.749 0.381 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.277 -10.573 -1.319 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.171 -9.184 -0.885 1.00 0.00 C ATOM 2237 C VAL C 42 -6.537 -8.685 -0.432 1.00 0.00 C ATOM 2238 O VAL C 42 -7.519 -8.806 -1.158 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.615 -8.300 -2.017 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.202 -8.737 -2.400 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.460 -8.352 -3.288 1.00 0.00 C ATOM 0 H VAL C 42 -6.160 -10.801 -1.777 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.477 -9.127 -0.047 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.627 -7.284 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.829 -8.099 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.547 -8.651 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.221 -9.773 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.015 -7.708 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.498 -9.377 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.471 -8.008 -3.067 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.609 -8.118 0.777 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.849 -7.560 1.298 1.00 0.00 C ATOM 2253 C HIS C 43 -7.550 -6.514 2.361 1.00 0.00 C ATOM 2254 O HIS C 43 -6.444 -6.481 2.900 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.727 -8.644 1.938 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.712 -9.988 1.262 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.672 -10.447 0.356 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.766 -10.957 1.440 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.276 -11.680 0.005 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.139 -12.013 0.640 1.00 0.00 N ATOM 0 H HIS C 43 -5.815 -8.036 1.412 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.378 -7.114 0.456 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.411 -8.776 2.973 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.755 -8.283 1.963 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.500 -9.949 0.030 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.898 -10.905 2.081 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.799 -12.318 -0.692 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.527 -5.661 2.670 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.415 -4.760 3.810 1.00 0.00 C ATOM 2270 C ARG C 44 -8.618 -5.580 5.081 1.00 0.00 C ATOM 2271 O ARG C 44 -9.219 -6.652 5.034 1.00 0.00 O ATOM 2272 CB ARG C 44 -9.425 -3.608 3.688 1.00 0.00 C ATOM 2273 CG ARG C 44 -10.853 -4.108 3.448 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.793 -2.934 3.166 1.00 0.00 C ATOM 2275 NE ARG C 44 -12.063 -2.150 4.379 1.00 0.00 N ATOM 2276 CZ ARG C 44 -13.199 -2.217 5.078 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -14.196 -3.008 4.687 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -13.351 -1.490 6.179 1.00 0.00 N ATOM 0 H ARG C 44 -9.399 -5.577 2.148 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.428 -4.298 3.843 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -9.401 -3.009 4.598 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -9.129 -2.954 2.868 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -10.865 -4.801 2.607 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -11.203 -4.660 4.321 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.352 -2.289 2.407 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -12.732 -3.309 2.759 1.00 0.00 H new ATOM 0 HE ARG C 44 -11.337 -1.514 4.708 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -14.098 -3.573 3.844 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -15.058 -3.049 5.231 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -12.599 -0.878 6.494 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -14.220 -1.544 6.710 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.121 -5.078 6.216 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.193 -5.785 7.487 1.00 0.00 C ATOM 2294 C GLU C 45 -9.604 -6.283 7.793 1.00 0.00 C ATOM 2295 O GLU C 45 -9.764 -7.345 8.389 1.00 0.00 O ATOM 2296 CB GLU C 45 -7.724 -4.847 8.604 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.199 -4.827 8.721 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.648 -6.076 9.416 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.462 -6.852 9.965 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.408 -6.243 9.389 1.00 0.00 O ATOM 0 H GLU C 45 -7.659 -4.170 6.274 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.548 -6.661 7.423 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.088 -3.838 8.409 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.158 -5.164 9.552 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -5.762 -4.747 7.726 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -5.892 -3.941 9.276 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.638 -5.541 7.396 1.00 0.00 N ATOM 2308 CA GLU C 46 -11.999 -5.922 7.730 1.00 0.00 C ATOM 2309 C GLU C 46 -12.417 -7.228 7.048 1.00 0.00 C ATOM 2310 O GLU C 46 -13.239 -7.956 7.596 1.00 0.00 O ATOM 2311 CB GLU C 46 -12.940 -4.775 7.349 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.355 -4.991 7.891 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.250 -3.813 7.518 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -15.125 -2.756 8.178 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -16.055 -3.969 6.574 1.00 0.00 O ATOM 0 H GLU C 46 -10.556 -4.684 6.849 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.057 -6.106 8.803 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -12.543 -3.836 7.736 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -12.978 -4.682 6.264 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -14.770 -5.914 7.486 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.323 -5.104 8.975 1.00 0.00 H new ATOM 2322 N ILE C 47 -11.864 -7.539 5.870 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.155 -8.798 5.184 1.00 0.00 C ATOM 2324 C ILE C 47 -11.139 -9.847 5.623 1.00 0.00 C ATOM 2325 O ILE C 47 -11.485 -11.010 5.811 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.064 -8.597 3.661 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.336 -7.984 3.071 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -11.870 -9.934 2.943 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -13.664 -6.617 3.660 1.00 0.00 C ATOM 0 H ILE C 47 -11.211 -6.933 5.373 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.162 -9.128 5.438 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.217 -7.927 3.511 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.221 -7.891 1.991 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.173 -8.660 3.245 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.809 -9.764 1.868 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -10.949 -10.403 3.289 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.714 -10.589 3.159 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.576 -6.233 3.203 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -13.809 -6.710 4.736 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -12.842 -5.929 3.463 1.00 0.00 H new ATOM 2341 N TYR C 48 -9.882 -9.424 5.785 1.00 0.00 N ATOM 2342 CA TYR C 48 -8.785 -10.318 6.107 1.00 0.00 C ATOM 2343 C TYR C 48 -9.024 -11.064 7.420 1.00 0.00 C ATOM 2344 O TYR C 48 -8.604 -12.207 7.574 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.511 -9.485 6.210 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.292 -10.302 6.547 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.596 -10.992 5.544 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -5.862 -10.372 7.878 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.461 -11.749 5.868 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -4.735 -11.129 8.212 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.021 -11.815 7.205 1.00 0.00 C ATOM 2352 OH TYR C 48 -2.914 -12.543 7.520 1.00 0.00 O ATOM 0 H TYR C 48 -9.604 -8.447 5.694 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.699 -11.069 5.322 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.345 -8.970 5.264 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -7.647 -8.717 6.972 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -5.935 -10.940 4.520 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -6.402 -9.840 8.648 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -3.926 -12.280 5.095 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -4.410 -11.189 9.240 1.00 0.00 H new ATOM 0 HH TYR C 48 -2.746 -12.483 8.484 1.00 0.00 H new