USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 441 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 Single : A 3 THR OG1 : rot -46:sc= 0.459 USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= 0.899 (180deg=0.447) USER MOD Single : A 6 GLN : amide:sc= -0.0765 K(o=-0.077,f=-0.72) USER MOD Single : A 14 MET CE :methyl -174:sc= 0 (180deg=-0.00977) USER MOD Single : A 15 SER OG : rot -83:sc= -0.0142 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 171:sc= -1.07 (180deg=-1.29) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00518) USER MOD Single : B 3 THR OG1 : rot -49:sc= 0.451 USER MOD Single : B 4 LYS NZ :NH3+ -152:sc= 0.257 (180deg=-0.111) USER MOD Single : B 6 GLN : amide:sc= -0.074 K(o=-0.074,f=-1.9) USER MOD Single : B 14 MET CE :methyl -124:sc= -0.196 (180deg=-2.11!) USER MOD Single : B 15 SER OG : rot 180:sc= -0.0448 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 86:sc= 0.005 USER MOD Single : B 26 MET CE :methyl 175:sc= -2.51! (180deg=-2.88!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.417 -1.046 -11.954 1.00 0.00 N ATOM 32 CA THR A 3 -0.909 -0.550 -12.278 1.00 0.00 C ATOM 33 C THR A 3 -1.816 -0.610 -11.047 1.00 0.00 C ATOM 34 O THR A 3 -1.548 -1.360 -10.110 1.00 0.00 O ATOM 35 CB THR A 3 -1.440 -1.358 -13.464 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.229 -2.715 -13.081 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.582 -1.187 -14.719 1.00 0.00 C ATOM 0 HA THR A 3 -0.878 0.500 -12.570 1.00 0.00 H new ATOM 0 HB THR A 3 -2.464 -1.055 -13.681 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.323 -2.816 -12.722 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.002 -1.781 -15.531 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.566 -0.136 -15.009 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.435 -1.522 -14.513 1.00 0.00 H new ATOM 45 N LYS A 4 -2.871 0.190 -11.090 1.00 0.00 N ATOM 46 CA LYS A 4 -3.822 0.235 -9.992 1.00 0.00 C ATOM 47 C LYS A 4 -4.350 -1.175 -9.723 1.00 0.00 C ATOM 48 O LYS A 4 -4.457 -1.593 -8.571 1.00 0.00 O ATOM 49 CB LYS A 4 -4.921 1.260 -10.276 1.00 0.00 C ATOM 50 CG LYS A 4 -4.520 2.648 -9.773 1.00 0.00 C ATOM 51 CD LYS A 4 -4.325 3.619 -10.939 1.00 0.00 C ATOM 52 CE LYS A 4 -2.843 3.765 -11.289 1.00 0.00 C ATOM 53 NZ LYS A 4 -2.679 4.535 -12.542 1.00 0.00 N ATOM 0 H LYS A 4 -3.088 0.813 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.333 0.573 -9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.117 1.300 -11.347 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.847 0.948 -9.794 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.288 3.031 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.598 2.577 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.875 3.262 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.739 4.593 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.319 4.267 -10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.391 2.779 -11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.768 4.294 -12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.452 4.300 -13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.702 5.553 -12.330 1.00 0.00 H new ATOM 67 N ASP A 5 -4.668 -1.870 -10.805 1.00 0.00 N ATOM 68 CA ASP A 5 -5.207 -3.216 -10.699 1.00 0.00 C ATOM 69 C ASP A 5 -4.201 -4.107 -9.969 1.00 0.00 C ATOM 70 O ASP A 5 -4.569 -4.847 -9.057 1.00 0.00 O ATOM 71 CB ASP A 5 -5.456 -3.819 -12.083 1.00 0.00 C ATOM 72 CG ASP A 5 -6.807 -3.467 -12.709 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.829 -3.743 -12.045 1.00 0.00 O ATOM 74 OD2 ASP A 5 -6.787 -2.928 -13.837 1.00 0.00 O ATOM 0 H ASP A 5 -4.563 -1.527 -11.760 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.150 -3.161 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.664 -3.488 -12.755 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.378 -4.904 -12.009 1.00 0.00 H new ATOM 79 N GLN A 6 -2.951 -4.008 -10.396 1.00 0.00 N ATOM 80 CA GLN A 6 -1.897 -4.830 -9.825 1.00 0.00 C ATOM 81 C GLN A 6 -1.842 -4.642 -8.307 1.00 0.00 C ATOM 82 O GLN A 6 -1.403 -5.534 -7.583 1.00 0.00 O ATOM 83 CB GLN A 6 -0.545 -4.512 -10.466 1.00 0.00 C ATOM 84 CG GLN A 6 -0.326 -5.350 -11.728 1.00 0.00 C ATOM 85 CD GLN A 6 0.126 -6.768 -11.372 1.00 0.00 C ATOM 86 OE1 GLN A 6 -0.667 -7.643 -11.069 1.00 0.00 O ATOM 87 NE2 GLN A 6 1.444 -6.944 -11.426 1.00 0.00 N ATOM 0 H GLN A 6 -2.644 -3.371 -11.131 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.124 -5.875 -10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.497 -3.452 -10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.255 -4.707 -9.752 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.250 -5.393 -12.305 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.423 -4.873 -12.360 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.052 -6.168 -11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.846 -7.855 -11.206 1.00 0.00 H new ATOM 96 N ILE A 7 -2.292 -3.475 -7.871 1.00 0.00 N ATOM 97 CA ILE A 7 -2.268 -3.145 -6.456 1.00 0.00 C ATOM 98 C ILE A 7 -3.446 -3.826 -5.757 1.00 0.00 C ATOM 99 O ILE A 7 -3.351 -4.195 -4.588 1.00 0.00 O ATOM 100 CB ILE A 7 -2.231 -1.628 -6.260 1.00 0.00 C ATOM 101 CG1 ILE A 7 -0.956 -1.029 -6.858 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.399 -1.261 -4.784 1.00 0.00 C ATOM 103 CD1 ILE A 7 0.222 -1.173 -5.892 1.00 0.00 C ATOM 0 H ILE A 7 -2.675 -2.746 -8.473 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.358 -3.526 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.074 -1.194 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.722 -1.527 -7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.117 0.025 -7.086 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.369 -0.177 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.356 -1.636 -4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.592 -1.708 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.116 -0.740 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.005 -0.653 -4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.396 -2.229 -5.685 1.00 0.00 H new ATOM 115 N ILE A 8 -4.531 -3.973 -6.504 1.00 0.00 N ATOM 116 CA ILE A 8 -5.725 -4.609 -5.973 1.00 0.00 C ATOM 117 C ILE A 8 -5.378 -6.023 -5.502 1.00 0.00 C ATOM 118 O ILE A 8 -5.703 -6.405 -4.379 1.00 0.00 O ATOM 119 CB ILE A 8 -6.858 -4.563 -6.999 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.128 -3.127 -7.454 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.119 -5.238 -6.455 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.413 -2.217 -6.258 1.00 0.00 C ATOM 0 H ILE A 8 -4.608 -3.663 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.092 -4.064 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.545 -5.126 -7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.268 -2.749 -8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.977 -3.112 -8.137 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.909 -5.191 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.902 -6.280 -6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.446 -4.724 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.601 -1.203 -6.609 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.288 -2.584 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.552 -2.215 -5.589 1.00 0.00 H new ATOM 134 N GLU A 9 -4.722 -6.762 -6.385 1.00 0.00 N ATOM 135 CA GLU A 9 -4.335 -8.128 -6.078 1.00 0.00 C ATOM 136 C GLU A 9 -3.329 -8.148 -4.926 1.00 0.00 C ATOM 137 O GLU A 9 -3.109 -9.188 -4.306 1.00 0.00 O ATOM 138 CB GLU A 9 -3.767 -8.829 -7.314 1.00 0.00 C ATOM 139 CG GLU A 9 -4.876 -9.159 -8.315 1.00 0.00 C ATOM 140 CD GLU A 9 -4.675 -8.399 -9.627 1.00 0.00 C ATOM 141 OE1 GLU A 9 -3.750 -8.788 -10.373 1.00 0.00 O ATOM 142 OE2 GLU A 9 -5.451 -7.446 -9.855 1.00 0.00 O ATOM 0 H GLU A 9 -4.449 -6.440 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.225 -8.676 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.022 -8.190 -7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.258 -9.745 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.887 -10.231 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.845 -8.903 -7.887 1.00 0.00 H new ATOM 149 N ALA A 10 -2.744 -6.986 -4.672 1.00 0.00 N ATOM 150 CA ALA A 10 -1.747 -6.863 -3.623 1.00 0.00 C ATOM 151 C ALA A 10 -2.446 -6.838 -2.262 1.00 0.00 C ATOM 152 O ALA A 10 -1.996 -7.484 -1.317 1.00 0.00 O ATOM 153 CB ALA A 10 -0.900 -5.612 -3.866 1.00 0.00 C ATOM 0 H ALA A 10 -2.942 -6.121 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.073 -7.719 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.152 -5.520 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.402 -5.692 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.542 -4.731 -3.861 1.00 0.00 H new ATOM 159 N VAL A 11 -3.535 -6.086 -2.206 1.00 0.00 N ATOM 160 CA VAL A 11 -4.290 -5.952 -0.971 1.00 0.00 C ATOM 161 C VAL A 11 -5.037 -7.257 -0.691 1.00 0.00 C ATOM 162 O VAL A 11 -5.446 -7.512 0.441 1.00 0.00 O ATOM 163 CB VAL A 11 -5.217 -4.738 -1.053 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.312 -4.811 0.013 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.425 -3.434 -0.938 1.00 0.00 C ATOM 0 H VAL A 11 -3.913 -5.563 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.619 -5.775 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.700 -4.751 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.957 -3.936 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.905 -5.714 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.855 -4.835 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.108 -2.587 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.901 -3.409 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.701 -3.375 -1.750 1.00 0.00 H new ATOM 175 N ALA A 12 -5.193 -8.049 -1.742 1.00 0.00 N ATOM 176 CA ALA A 12 -5.858 -9.336 -1.617 1.00 0.00 C ATOM 177 C ALA A 12 -4.810 -10.424 -1.374 1.00 0.00 C ATOM 178 O ALA A 12 -5.114 -11.613 -1.459 1.00 0.00 O ATOM 179 CB ALA A 12 -6.695 -9.601 -2.869 1.00 0.00 C ATOM 0 H ALA A 12 -4.871 -7.825 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.538 -9.337 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.194 -10.566 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.442 -8.815 -2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.046 -9.611 -3.745 1.00 0.00 H new ATOM 185 N ALA A 13 -3.598 -9.979 -1.076 1.00 0.00 N ATOM 186 CA ALA A 13 -2.503 -10.901 -0.825 1.00 0.00 C ATOM 187 C ALA A 13 -2.170 -10.895 0.668 1.00 0.00 C ATOM 188 O ALA A 13 -1.701 -11.896 1.207 1.00 0.00 O ATOM 189 CB ALA A 13 -1.303 -10.516 -1.692 1.00 0.00 C ATOM 0 H ALA A 13 -3.350 -8.992 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.787 -11.918 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.482 -11.207 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.584 -10.564 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.987 -9.502 -1.447 1.00 0.00 H new ATOM 195 N MET A 14 -2.423 -9.755 1.294 1.00 0.00 N ATOM 196 CA MET A 14 -2.141 -9.600 2.711 1.00 0.00 C ATOM 197 C MET A 14 -3.364 -9.962 3.556 1.00 0.00 C ATOM 198 O MET A 14 -4.443 -10.208 3.019 1.00 0.00 O ATOM 199 CB MET A 14 -1.734 -8.153 2.996 1.00 0.00 C ATOM 200 CG MET A 14 -0.411 -7.811 2.307 1.00 0.00 C ATOM 201 SD MET A 14 -0.640 -6.432 1.197 1.00 0.00 S ATOM 202 CE MET A 14 1.058 -5.929 0.973 1.00 0.00 C ATOM 0 H MET A 14 -2.820 -8.930 0.846 1.00 0.00 H new ATOM 0 HA MET A 14 -1.327 -10.274 2.976 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.515 -7.476 2.649 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.638 -8.003 4.071 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.345 -7.566 3.053 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.045 -8.676 1.755 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.091 -5.009 0.389 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.518 -5.758 1.946 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.603 -6.713 0.447 1.00 0.00 H new ATOM 212 N SER A 15 -3.155 -9.983 4.864 1.00 0.00 N ATOM 213 CA SER A 15 -4.232 -10.289 5.790 1.00 0.00 C ATOM 214 C SER A 15 -5.167 -9.085 5.921 1.00 0.00 C ATOM 215 O SER A 15 -4.827 -7.981 5.496 1.00 0.00 O ATOM 216 CB SER A 15 -3.683 -10.687 7.162 1.00 0.00 C ATOM 217 OG SER A 15 -2.386 -10.145 7.396 1.00 0.00 O ATOM 0 H SER A 15 -2.255 -9.793 5.305 1.00 0.00 H new ATOM 0 HA SER A 15 -4.793 -11.136 5.394 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.365 -10.343 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.640 -11.774 7.234 1.00 0.00 H new ATOM 0 HG SER A 15 -1.711 -10.721 6.981 1.00 0.00 H new ATOM 223 N VAL A 16 -6.326 -9.337 6.512 1.00 0.00 N ATOM 224 CA VAL A 16 -7.314 -8.288 6.700 1.00 0.00 C ATOM 225 C VAL A 16 -6.758 -7.236 7.661 1.00 0.00 C ATOM 226 O VAL A 16 -6.881 -6.037 7.413 1.00 0.00 O ATOM 227 CB VAL A 16 -8.635 -8.894 7.177 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.668 -7.802 7.461 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.172 -9.906 6.162 1.00 0.00 C ATOM 0 H VAL A 16 -6.603 -10.252 6.867 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.524 -7.787 5.755 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.443 -9.424 8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.598 -8.260 7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.289 -7.136 8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.854 -7.231 6.551 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.112 -10.322 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.340 -9.409 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.447 -10.709 6.030 1.00 0.00 H new ATOM 239 N MET A 17 -6.157 -7.722 8.737 1.00 0.00 N ATOM 240 CA MET A 17 -5.588 -6.838 9.740 1.00 0.00 C ATOM 241 C MET A 17 -4.526 -5.923 9.125 1.00 0.00 C ATOM 242 O MET A 17 -4.526 -4.717 9.367 1.00 0.00 O ATOM 243 CB MET A 17 -4.958 -7.671 10.857 1.00 0.00 C ATOM 244 CG MET A 17 -5.981 -7.983 11.952 1.00 0.00 C ATOM 245 SD MET A 17 -6.761 -9.555 11.629 1.00 0.00 S ATOM 246 CE MET A 17 -8.027 -9.537 12.887 1.00 0.00 C ATOM 0 H MET A 17 -6.052 -8.717 8.936 1.00 0.00 H new ATOM 0 HA MET A 17 -6.387 -6.217 10.145 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.566 -8.601 10.445 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.114 -7.131 11.286 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.490 -8.005 12.925 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.734 -7.196 11.993 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.613 -10.454 12.827 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.562 -9.467 13.870 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.681 -8.678 12.733 1.00 0.00 H new ATOM 256 N ASP A 18 -3.648 -6.532 8.342 1.00 0.00 N ATOM 257 CA ASP A 18 -2.572 -5.791 7.706 1.00 0.00 C ATOM 258 C ASP A 18 -3.166 -4.668 6.854 1.00 0.00 C ATOM 259 O ASP A 18 -2.605 -3.575 6.782 1.00 0.00 O ATOM 260 CB ASP A 18 -1.747 -6.695 6.789 1.00 0.00 C ATOM 261 CG ASP A 18 -0.251 -6.379 6.744 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.219 -5.723 7.698 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.389 -6.801 5.757 1.00 0.00 O ATOM 0 H ASP A 18 -3.660 -7.530 8.133 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.929 -5.391 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.875 -7.728 7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.148 -6.625 5.778 1.00 0.00 H new ATOM 268 N VAL A 19 -4.293 -4.975 6.229 1.00 0.00 N ATOM 269 CA VAL A 19 -4.939 -4.024 5.340 1.00 0.00 C ATOM 270 C VAL A 19 -5.650 -2.956 6.173 1.00 0.00 C ATOM 271 O VAL A 19 -5.745 -1.802 5.758 1.00 0.00 O ATOM 272 CB VAL A 19 -5.879 -4.759 4.382 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.733 -3.770 3.586 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.097 -5.684 3.448 1.00 0.00 C ATOM 0 H VAL A 19 -4.776 -5.869 6.321 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.199 -3.515 4.722 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.550 -5.376 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.392 -4.318 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.332 -3.172 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.084 -3.115 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.789 -6.194 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.391 -5.096 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.553 -6.422 4.038 1.00 0.00 H new ATOM 284 N VAL A 20 -6.130 -3.378 7.333 1.00 0.00 N ATOM 285 CA VAL A 20 -6.806 -2.466 8.240 1.00 0.00 C ATOM 286 C VAL A 20 -5.829 -1.373 8.678 1.00 0.00 C ATOM 287 O VAL A 20 -6.173 -0.192 8.676 1.00 0.00 O ATOM 288 CB VAL A 20 -7.400 -3.243 9.417 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.671 -2.317 10.604 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.672 -3.984 8.998 1.00 0.00 C ATOM 0 H VAL A 20 -6.064 -4.340 7.666 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.640 -1.975 7.738 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.667 -3.986 9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.093 -2.894 11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.738 -1.855 10.926 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.376 -1.541 10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.074 -4.528 9.852 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.412 -3.266 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.437 -4.686 8.198 1.00 0.00 H new ATOM 300 N GLU A 21 -4.631 -1.805 9.043 1.00 0.00 N ATOM 301 CA GLU A 21 -3.594 -0.875 9.457 1.00 0.00 C ATOM 302 C GLU A 21 -3.327 0.148 8.351 1.00 0.00 C ATOM 303 O GLU A 21 -3.199 1.341 8.622 1.00 0.00 O ATOM 304 CB GLU A 21 -2.312 -1.618 9.838 1.00 0.00 C ATOM 305 CG GLU A 21 -2.367 -2.095 11.291 1.00 0.00 C ATOM 306 CD GLU A 21 -2.055 -0.949 12.257 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.851 -0.648 12.410 1.00 0.00 O ATOM 308 OE2 GLU A 21 -3.027 -0.401 12.820 1.00 0.00 O ATOM 0 H GLU A 21 -4.355 -2.787 9.061 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.942 -0.342 10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.172 -2.472 9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.452 -0.963 9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.356 -2.499 11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.653 -2.905 11.439 1.00 0.00 H new ATOM 315 N LEU A 22 -3.249 -0.356 7.128 1.00 0.00 N ATOM 316 CA LEU A 22 -3.028 0.502 5.977 1.00 0.00 C ATOM 317 C LEU A 22 -4.120 1.573 5.928 1.00 0.00 C ATOM 318 O LEU A 22 -3.843 2.756 6.118 1.00 0.00 O ATOM 319 CB LEU A 22 -2.926 -0.331 4.698 1.00 0.00 C ATOM 320 CG LEU A 22 -2.602 0.441 3.418 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.676 -0.369 2.509 1.00 0.00 C ATOM 322 CD2 LEU A 22 -3.881 0.870 2.697 1.00 0.00 C ATOM 0 H LEU A 22 -3.335 -1.349 6.909 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.074 1.022 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.159 -1.091 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.871 -0.855 4.553 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.068 1.350 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.461 0.203 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.745 -0.581 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.161 -1.307 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.622 1.417 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.464 -0.013 2.434 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.470 1.512 3.352 1.00 0.00 H new ATOM 334 N ILE A 23 -5.338 1.119 5.672 1.00 0.00 N ATOM 335 CA ILE A 23 -6.464 2.029 5.547 1.00 0.00 C ATOM 336 C ILE A 23 -6.456 3.010 6.721 1.00 0.00 C ATOM 337 O ILE A 23 -6.758 4.190 6.550 1.00 0.00 O ATOM 338 CB ILE A 23 -7.772 1.246 5.409 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.847 0.539 4.054 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.981 2.152 5.651 1.00 0.00 C ATOM 341 CD1 ILE A 23 -8.272 1.510 2.951 1.00 0.00 C ATOM 0 H ILE A 23 -5.570 0.133 5.548 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.375 2.621 4.636 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.790 0.473 6.177 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.876 0.109 3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.556 -0.287 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.898 1.571 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.928 2.569 6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.980 2.962 4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.317 0.982 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -9.254 1.920 3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.548 2.321 2.882 1.00 0.00 H new ATOM 353 N SER A 24 -6.105 2.485 7.886 1.00 0.00 N ATOM 354 CA SER A 24 -6.107 3.287 9.098 1.00 0.00 C ATOM 355 C SER A 24 -5.011 4.351 9.023 1.00 0.00 C ATOM 356 O SER A 24 -5.214 5.488 9.446 1.00 0.00 O ATOM 357 CB SER A 24 -5.912 2.411 10.337 1.00 0.00 C ATOM 358 OG SER A 24 -7.148 1.896 10.826 1.00 0.00 O ATOM 0 H SER A 24 -5.818 1.515 8.016 1.00 0.00 H new ATOM 0 HA SER A 24 -7.076 3.778 9.182 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.245 1.584 10.095 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.427 2.993 11.120 1.00 0.00 H new ATOM 0 HG SER A 24 -6.981 1.341 11.616 1.00 0.00 H new ATOM 364 N ALA A 25 -3.872 3.945 8.480 1.00 0.00 N ATOM 365 CA ALA A 25 -2.734 4.842 8.369 1.00 0.00 C ATOM 366 C ALA A 25 -3.140 6.075 7.558 1.00 0.00 C ATOM 367 O ALA A 25 -3.136 7.191 8.075 1.00 0.00 O ATOM 368 CB ALA A 25 -1.554 4.095 7.744 1.00 0.00 C ATOM 0 H ALA A 25 -3.713 3.007 8.112 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.417 5.185 9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.700 4.768 7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.287 3.246 8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.833 3.739 6.752 1.00 0.00 H new ATOM 374 N MET A 26 -3.479 5.831 6.301 1.00 0.00 N ATOM 375 CA MET A 26 -3.874 6.909 5.410 1.00 0.00 C ATOM 376 C MET A 26 -4.933 7.800 6.063 1.00 0.00 C ATOM 377 O MET A 26 -4.858 9.025 5.976 1.00 0.00 O ATOM 378 CB MET A 26 -4.431 6.321 4.112 1.00 0.00 C ATOM 379 CG MET A 26 -3.316 5.697 3.270 1.00 0.00 C ATOM 380 SD MET A 26 -3.998 4.998 1.776 1.00 0.00 S ATOM 381 CE MET A 26 -2.633 3.967 1.265 1.00 0.00 C ATOM 0 H MET A 26 -3.488 4.903 5.878 1.00 0.00 H new ATOM 0 HA MET A 26 -2.996 7.518 5.196 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.183 5.566 4.344 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.930 7.103 3.539 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.571 6.453 3.021 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.806 4.923 3.843 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.946 3.334 0.434 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.801 4.596 0.949 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.318 3.341 2.100 1.00 0.00 H new ATOM 391 N GLU A 27 -5.894 7.150 6.702 1.00 0.00 N ATOM 392 CA GLU A 27 -6.980 7.867 7.349 1.00 0.00 C ATOM 393 C GLU A 27 -6.425 8.986 8.233 1.00 0.00 C ATOM 394 O GLU A 27 -6.895 10.121 8.172 1.00 0.00 O ATOM 395 CB GLU A 27 -7.860 6.914 8.159 1.00 0.00 C ATOM 396 CG GLU A 27 -9.065 6.449 7.339 1.00 0.00 C ATOM 397 CD GLU A 27 -9.943 5.491 8.147 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.444 4.386 8.453 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.092 5.885 8.441 1.00 0.00 O ATOM 0 H GLU A 27 -5.944 6.135 6.786 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.604 8.317 6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.274 6.050 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.203 7.412 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.653 7.313 7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.722 5.954 6.430 1.00 0.00 H new ATOM 406 N GLU A 28 -5.433 8.626 9.034 1.00 0.00 N ATOM 407 CA GLU A 28 -4.846 9.571 9.969 1.00 0.00 C ATOM 408 C GLU A 28 -3.869 10.499 9.243 1.00 0.00 C ATOM 409 O GLU A 28 -3.952 11.719 9.375 1.00 0.00 O ATOM 410 CB GLU A 28 -4.155 8.843 11.123 1.00 0.00 C ATOM 411 CG GLU A 28 -3.493 9.836 12.080 1.00 0.00 C ATOM 412 CD GLU A 28 -3.491 9.299 13.513 1.00 0.00 C ATOM 413 OE1 GLU A 28 -2.641 8.425 13.790 1.00 0.00 O ATOM 414 OE2 GLU A 28 -4.338 9.775 14.298 1.00 0.00 O ATOM 0 H GLU A 28 -5.021 7.693 9.055 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.646 10.178 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.883 8.240 11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.405 8.158 10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.469 10.029 11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.023 10.788 12.045 1.00 0.00 H new ATOM 421 N LYS A 29 -2.966 9.885 8.493 1.00 0.00 N ATOM 422 CA LYS A 29 -1.950 10.638 7.778 1.00 0.00 C ATOM 423 C LYS A 29 -2.618 11.770 6.995 1.00 0.00 C ATOM 424 O LYS A 29 -2.392 12.945 7.281 1.00 0.00 O ATOM 425 CB LYS A 29 -1.103 9.706 6.910 1.00 0.00 C ATOM 426 CG LYS A 29 -0.055 10.493 6.121 1.00 0.00 C ATOM 427 CD LYS A 29 -0.491 10.681 4.666 1.00 0.00 C ATOM 428 CE LYS A 29 0.158 11.926 4.057 1.00 0.00 C ATOM 429 NZ LYS A 29 1.614 11.724 3.892 1.00 0.00 N ATOM 0 H LYS A 29 -2.917 8.874 8.365 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.255 11.101 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.609 8.966 7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.747 9.160 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.101 11.466 6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.900 9.968 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.217 9.801 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.576 10.771 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.296 12.144 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.025 12.789 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.030 12.558 3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.054 11.588 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.783 10.883 3.304 1.00 0.00 H new ATOM 443 N PHE A 30 -3.427 11.377 6.022 1.00 0.00 N ATOM 444 CA PHE A 30 -4.105 12.344 5.176 1.00 0.00 C ATOM 445 C PHE A 30 -5.247 13.028 5.930 1.00 0.00 C ATOM 446 O PHE A 30 -5.864 13.960 5.417 1.00 0.00 O ATOM 447 CB PHE A 30 -4.684 11.572 3.989 1.00 0.00 C ATOM 448 CG PHE A 30 -3.635 11.115 2.973 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.100 12.009 2.099 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.239 9.814 2.943 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.127 11.585 1.156 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.266 9.390 2.000 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.730 10.284 1.126 1.00 0.00 C ATOM 0 H PHE A 30 -3.628 10.402 5.801 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.403 13.115 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.218 10.698 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.416 12.201 3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.415 13.042 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.665 9.104 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.702 12.295 0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.951 8.357 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.990 9.961 0.409 1.00 0.00 H new ATOM 463 N GLY A 31 -5.493 12.538 7.137 1.00 0.00 N ATOM 464 CA GLY A 31 -6.555 13.084 7.964 1.00 0.00 C ATOM 465 C GLY A 31 -7.872 13.157 7.188 1.00 0.00 C ATOM 466 O GLY A 31 -8.455 14.231 7.047 1.00 0.00 O ATOM 0 H GLY A 31 -4.975 11.769 7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.685 12.464 8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.277 14.080 8.309 1.00 0.00 H new ATOM 568 N THR B 3 6.052 -2.535 2.215 1.00 0.00 N ATOM 569 CA THR B 3 5.515 -2.268 3.539 1.00 0.00 C ATOM 570 C THR B 3 4.314 -1.324 3.448 1.00 0.00 C ATOM 571 O THR B 3 4.161 -0.602 2.464 1.00 0.00 O ATOM 572 CB THR B 3 6.651 -1.723 4.408 1.00 0.00 C ATOM 573 OG1 THR B 3 7.187 -0.646 3.644 1.00 0.00 O ATOM 574 CG2 THR B 3 7.816 -2.707 4.533 1.00 0.00 C ATOM 0 HA THR B 3 5.138 -3.179 4.004 1.00 0.00 H new ATOM 0 HB THR B 3 6.267 -1.487 5.400 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.354 -0.947 2.726 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.595 -2.271 5.159 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.463 -3.634 4.985 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.222 -2.918 3.544 1.00 0.00 H new ATOM 582 N LYS B 4 3.493 -1.361 4.487 1.00 0.00 N ATOM 583 CA LYS B 4 2.313 -0.515 4.539 1.00 0.00 C ATOM 584 C LYS B 4 2.732 0.947 4.371 1.00 0.00 C ATOM 585 O LYS B 4 2.082 1.705 3.652 1.00 0.00 O ATOM 586 CB LYS B 4 1.517 -0.783 5.817 1.00 0.00 C ATOM 587 CG LYS B 4 0.428 -1.831 5.575 1.00 0.00 C ATOM 588 CD LYS B 4 1.021 -3.241 5.539 1.00 0.00 C ATOM 589 CE LYS B 4 0.814 -3.888 4.168 1.00 0.00 C ATOM 590 NZ LYS B 4 -0.592 -4.325 4.009 1.00 0.00 N ATOM 0 H LYS B 4 3.622 -1.964 5.300 1.00 0.00 H new ATOM 0 HA LYS B 4 1.639 -0.751 3.716 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.189 -1.127 6.603 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.063 0.144 6.168 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -0.323 -1.769 6.363 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -0.080 -1.622 4.633 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.086 -3.197 5.767 1.00 0.00 H new ATOM 0 HD3 LYS B 4 0.555 -3.855 6.309 1.00 0.00 H new ATOM 0 HE2 LYS B 4 1.072 -3.179 3.382 1.00 0.00 H new ATOM 0 HE3 LYS B 4 1.482 -4.743 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -0.632 -5.134 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -0.975 -4.607 4.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -1.158 -3.541 3.625 1.00 0.00 H new ATOM 604 N ASP B 5 3.816 1.300 5.046 1.00 0.00 N ATOM 605 CA ASP B 5 4.298 2.671 5.026 1.00 0.00 C ATOM 606 C ASP B 5 4.653 3.060 3.589 1.00 0.00 C ATOM 607 O ASP B 5 4.377 4.179 3.159 1.00 0.00 O ATOM 608 CB ASP B 5 5.556 2.826 5.883 1.00 0.00 C ATOM 609 CG ASP B 5 5.299 3.041 7.375 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.187 3.512 7.698 1.00 0.00 O ATOM 611 OD2 ASP B 5 6.220 2.728 8.161 1.00 0.00 O ATOM 0 H ASP B 5 4.375 0.660 5.611 1.00 0.00 H new ATOM 0 HA ASP B 5 3.511 3.311 5.424 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.173 1.936 5.761 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.134 3.669 5.504 1.00 0.00 H new ATOM 616 N GLN B 6 5.261 2.115 2.887 1.00 0.00 N ATOM 617 CA GLN B 6 5.685 2.356 1.518 1.00 0.00 C ATOM 618 C GLN B 6 4.485 2.738 0.650 1.00 0.00 C ATOM 619 O GLN B 6 4.635 3.437 -0.351 1.00 0.00 O ATOM 620 CB GLN B 6 6.410 1.136 0.946 1.00 0.00 C ATOM 621 CG GLN B 6 7.913 1.213 1.218 1.00 0.00 C ATOM 622 CD GLN B 6 8.606 2.132 0.210 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.001 3.005 -0.392 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.905 1.888 0.059 1.00 0.00 N ATOM 0 H GLN B 6 5.470 1.181 3.240 1.00 0.00 H new ATOM 0 HA GLN B 6 6.388 3.189 1.517 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.003 0.227 1.388 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.234 1.075 -0.128 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.085 1.581 2.229 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.348 0.215 1.164 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.349 1.142 0.594 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.457 2.447 -0.592 1.00 0.00 H new ATOM 633 N ILE B 7 3.320 2.261 1.064 1.00 0.00 N ATOM 634 CA ILE B 7 2.097 2.531 0.328 1.00 0.00 C ATOM 635 C ILE B 7 1.603 3.939 0.665 1.00 0.00 C ATOM 636 O ILE B 7 1.012 4.612 -0.178 1.00 0.00 O ATOM 637 CB ILE B 7 1.060 1.436 0.592 1.00 0.00 C ATOM 638 CG1 ILE B 7 1.653 0.048 0.342 1.00 0.00 C ATOM 639 CG2 ILE B 7 -0.209 1.674 -0.228 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.318 -0.024 -1.035 1.00 0.00 C ATOM 0 H ILE B 7 3.198 1.689 1.900 1.00 0.00 H new ATOM 0 HA ILE B 7 2.286 2.508 -0.745 1.00 0.00 H new ATOM 0 HB ILE B 7 0.776 1.480 1.644 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.385 -0.184 1.116 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.868 -0.705 0.410 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.929 0.882 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.642 2.637 0.042 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.038 1.672 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.731 -1.021 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.578 0.184 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE B 7 3.119 0.713 -1.091 1.00 0.00 H new ATOM 652 N ILE B 8 1.863 4.343 1.900 1.00 0.00 N ATOM 653 CA ILE B 8 1.443 5.655 2.362 1.00 0.00 C ATOM 654 C ILE B 8 2.064 6.729 1.468 1.00 0.00 C ATOM 655 O ILE B 8 1.368 7.625 0.992 1.00 0.00 O ATOM 656 CB ILE B 8 1.767 5.828 3.847 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.041 4.780 4.693 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.460 7.253 4.313 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.444 5.121 4.832 1.00 0.00 C ATOM 0 H ILE B 8 2.359 3.785 2.595 1.00 0.00 H new ATOM 0 HA ILE B 8 0.361 5.759 2.281 1.00 0.00 H new ATOM 0 HB ILE B 8 2.836 5.667 3.984 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.151 3.797 4.234 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.499 4.724 5.681 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.699 7.349 5.372 1.00 0.00 H new ATOM 0 HG22 ILE B 8 2.060 7.960 3.740 1.00 0.00 H new ATOM 0 HG23 ILE B 8 0.402 7.466 4.159 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.937 4.360 5.438 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.551 6.093 5.313 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.904 5.153 3.844 1.00 0.00 H new ATOM 671 N GLU B 9 3.368 6.605 1.265 1.00 0.00 N ATOM 672 CA GLU B 9 4.096 7.573 0.463 1.00 0.00 C ATOM 673 C GLU B 9 3.703 7.445 -1.010 1.00 0.00 C ATOM 674 O GLU B 9 3.980 8.337 -1.810 1.00 0.00 O ATOM 675 CB GLU B 9 5.607 7.408 0.643 1.00 0.00 C ATOM 676 CG GLU B 9 6.062 7.966 1.993 1.00 0.00 C ATOM 677 CD GLU B 9 6.375 9.460 1.892 1.00 0.00 C ATOM 678 OE1 GLU B 9 5.540 10.176 1.299 1.00 0.00 O ATOM 679 OE2 GLU B 9 7.444 9.852 2.410 1.00 0.00 O ATOM 0 H GLU B 9 3.939 5.849 1.642 1.00 0.00 H new ATOM 0 HA GLU B 9 3.829 8.573 0.805 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.872 6.353 0.573 1.00 0.00 H new ATOM 0 HB3 GLU B 9 6.131 7.922 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.284 7.804 2.739 1.00 0.00 H new ATOM 0 HG3 GLU B 9 6.947 7.428 2.333 1.00 0.00 H new ATOM 686 N ALA B 10 3.062 6.328 -1.323 1.00 0.00 N ATOM 687 CA ALA B 10 2.648 6.061 -2.690 1.00 0.00 C ATOM 688 C ALA B 10 1.394 6.879 -3.008 1.00 0.00 C ATOM 689 O ALA B 10 1.306 7.501 -4.065 1.00 0.00 O ATOM 690 CB ALA B 10 2.426 4.558 -2.873 1.00 0.00 C ATOM 0 H ALA B 10 2.819 5.598 -0.653 1.00 0.00 H new ATOM 0 HA ALA B 10 3.425 6.363 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.115 4.358 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.354 4.025 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.650 4.219 -2.186 1.00 0.00 H new ATOM 696 N VAL B 11 0.456 6.850 -2.073 1.00 0.00 N ATOM 697 CA VAL B 11 -0.805 7.549 -2.256 1.00 0.00 C ATOM 698 C VAL B 11 -0.573 9.055 -2.122 1.00 0.00 C ATOM 699 O VAL B 11 -1.413 9.855 -2.532 1.00 0.00 O ATOM 700 CB VAL B 11 -1.848 7.014 -1.272 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.031 7.977 -1.150 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.318 5.616 -1.677 1.00 0.00 C ATOM 0 H VAL B 11 0.544 6.353 -1.186 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.199 7.369 -3.256 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.376 6.937 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.758 7.573 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.677 8.944 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.502 8.100 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.059 5.260 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.764 5.656 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.467 4.935 -1.688 1.00 0.00 H new ATOM 712 N ALA B 12 0.571 9.396 -1.547 1.00 0.00 N ATOM 713 CA ALA B 12 0.933 10.792 -1.373 1.00 0.00 C ATOM 714 C ALA B 12 1.690 11.277 -2.611 1.00 0.00 C ATOM 715 O ALA B 12 1.941 12.471 -2.762 1.00 0.00 O ATOM 716 CB ALA B 12 1.753 10.951 -0.090 1.00 0.00 C ATOM 0 H ALA B 12 1.259 8.730 -1.196 1.00 0.00 H new ATOM 0 HA ALA B 12 0.041 11.409 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA B 12 2.025 11.998 0.041 1.00 0.00 H new ATOM 0 HB2 ALA B 12 1.161 10.620 0.763 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.658 10.347 -0.159 1.00 0.00 H new ATOM 722 N ALA B 13 2.032 10.324 -3.466 1.00 0.00 N ATOM 723 CA ALA B 13 2.785 10.634 -4.670 1.00 0.00 C ATOM 724 C ALA B 13 1.841 10.626 -5.874 1.00 0.00 C ATOM 725 O ALA B 13 2.090 11.307 -6.867 1.00 0.00 O ATOM 726 CB ALA B 13 3.935 9.636 -4.823 1.00 0.00 C ATOM 0 H ALA B 13 1.802 9.337 -3.349 1.00 0.00 H new ATOM 0 HA ALA B 13 3.224 11.630 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.500 9.868 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.592 9.703 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA B 13 3.533 8.626 -4.896 1.00 0.00 H new ATOM 732 N MET B 14 0.777 9.847 -5.746 1.00 0.00 N ATOM 733 CA MET B 14 -0.199 9.731 -6.816 1.00 0.00 C ATOM 734 C MET B 14 -1.227 10.862 -6.745 1.00 0.00 C ATOM 735 O MET B 14 -1.275 11.601 -5.763 1.00 0.00 O ATOM 736 CB MET B 14 -0.915 8.383 -6.711 1.00 0.00 C ATOM 737 CG MET B 14 0.074 7.224 -6.854 1.00 0.00 C ATOM 738 SD MET B 14 -0.424 5.864 -5.811 1.00 0.00 S ATOM 739 CE MET B 14 -1.136 4.779 -7.037 1.00 0.00 C ATOM 0 H MET B 14 0.569 9.290 -4.917 1.00 0.00 H new ATOM 0 HA MET B 14 0.325 9.800 -7.769 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.427 8.313 -5.751 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.679 8.312 -7.485 1.00 0.00 H new ATOM 0 HG2 MET B 14 0.118 6.899 -7.893 1.00 0.00 H new ATOM 0 HG3 MET B 14 1.076 7.554 -6.581 1.00 0.00 H new ATOM 0 HE1 MET B 14 -2.163 4.542 -6.760 1.00 0.00 H new ATOM 0 HE2 MET B 14 -1.126 5.272 -8.009 1.00 0.00 H new ATOM 0 HE3 MET B 14 -0.554 3.859 -7.091 1.00 0.00 H new ATOM 749 N SER B 15 -2.022 10.962 -7.800 1.00 0.00 N ATOM 750 CA SER B 15 -3.045 11.992 -7.870 1.00 0.00 C ATOM 751 C SER B 15 -4.274 11.565 -7.065 1.00 0.00 C ATOM 752 O SER B 15 -4.439 10.386 -6.756 1.00 0.00 O ATOM 753 CB SER B 15 -3.435 12.282 -9.321 1.00 0.00 C ATOM 754 OG SER B 15 -3.177 11.172 -10.176 1.00 0.00 O ATOM 0 H SER B 15 -1.979 10.347 -8.613 1.00 0.00 H new ATOM 0 HA SER B 15 -2.639 12.908 -7.441 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.494 12.537 -9.368 1.00 0.00 H new ATOM 0 HB3 SER B 15 -2.882 13.151 -9.678 1.00 0.00 H new ATOM 0 HG SER B 15 -3.441 11.397 -11.093 1.00 0.00 H new ATOM 760 N VAL B 16 -5.105 12.547 -6.749 1.00 0.00 N ATOM 761 CA VAL B 16 -6.310 12.289 -5.978 1.00 0.00 C ATOM 762 C VAL B 16 -7.210 11.325 -6.753 1.00 0.00 C ATOM 763 O VAL B 16 -7.725 10.361 -6.188 1.00 0.00 O ATOM 764 CB VAL B 16 -7.003 13.609 -5.634 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.337 13.359 -4.926 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.093 14.503 -4.790 1.00 0.00 C ATOM 0 H VAL B 16 -4.968 13.523 -7.013 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.062 11.811 -5.030 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.212 14.131 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.809 14.313 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -8.992 12.780 -5.577 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.161 12.806 -4.003 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.610 15.434 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.838 13.990 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.181 14.722 -5.346 1.00 0.00 H new ATOM 776 N MET B 17 -7.371 11.618 -8.035 1.00 0.00 N ATOM 777 CA MET B 17 -8.200 10.788 -8.894 1.00 0.00 C ATOM 778 C MET B 17 -7.655 9.360 -8.968 1.00 0.00 C ATOM 779 O MET B 17 -8.407 8.397 -8.828 1.00 0.00 O ATOM 780 CB MET B 17 -8.244 11.392 -10.299 1.00 0.00 C ATOM 781 CG MET B 17 -9.389 12.399 -10.427 1.00 0.00 C ATOM 782 SD MET B 17 -9.681 12.775 -12.147 1.00 0.00 S ATOM 783 CE MET B 17 -11.207 11.885 -12.404 1.00 0.00 C ATOM 0 H MET B 17 -6.942 12.418 -8.500 1.00 0.00 H new ATOM 0 HA MET B 17 -9.205 10.752 -8.473 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.296 11.884 -10.517 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.368 10.599 -11.036 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.294 11.992 -9.976 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.144 13.311 -9.883 1.00 0.00 H new ATOM 0 HE1 MET B 17 -11.534 12.014 -13.436 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.049 10.825 -12.203 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.972 12.272 -11.730 1.00 0.00 H new ATOM 793 N ASP B 18 -6.352 9.269 -9.189 1.00 0.00 N ATOM 794 CA ASP B 18 -5.702 7.975 -9.308 1.00 0.00 C ATOM 795 C ASP B 18 -5.975 7.154 -8.047 1.00 0.00 C ATOM 796 O ASP B 18 -6.083 5.930 -8.110 1.00 0.00 O ATOM 797 CB ASP B 18 -4.186 8.131 -9.451 1.00 0.00 C ATOM 798 CG ASP B 18 -3.432 6.841 -9.779 1.00 0.00 C ATOM 799 OD1 ASP B 18 -3.387 5.967 -8.887 1.00 0.00 O ATOM 800 OD2 ASP B 18 -2.916 6.759 -10.915 1.00 0.00 O ATOM 0 H ASP B 18 -5.729 10.070 -9.289 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.099 7.479 -10.194 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -3.983 8.862 -10.234 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -3.789 8.540 -8.522 1.00 0.00 H new ATOM 805 N VAL B 19 -6.080 7.860 -6.930 1.00 0.00 N ATOM 806 CA VAL B 19 -6.302 7.208 -5.651 1.00 0.00 C ATOM 807 C VAL B 19 -7.777 6.818 -5.531 1.00 0.00 C ATOM 808 O VAL B 19 -8.098 5.722 -5.075 1.00 0.00 O ATOM 809 CB VAL B 19 -5.830 8.115 -4.513 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.272 7.566 -3.155 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.313 8.307 -4.559 1.00 0.00 C ATOM 0 H VAL B 19 -6.015 8.877 -6.885 1.00 0.00 H new ATOM 0 HA VAL B 19 -5.717 6.291 -5.583 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.296 9.091 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -5.924 8.229 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.360 7.504 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -5.848 6.573 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.003 8.956 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -3.821 7.339 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.033 8.763 -5.508 1.00 0.00 H new ATOM 821 N VAL B 20 -8.635 7.737 -5.950 1.00 0.00 N ATOM 822 CA VAL B 20 -10.068 7.505 -5.888 1.00 0.00 C ATOM 823 C VAL B 20 -10.403 6.208 -6.627 1.00 0.00 C ATOM 824 O VAL B 20 -11.173 5.388 -6.129 1.00 0.00 O ATOM 825 CB VAL B 20 -10.818 8.719 -6.442 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.224 8.330 -6.904 1.00 0.00 C ATOM 827 CG2 VAL B 20 -10.872 9.848 -5.411 1.00 0.00 C ATOM 0 H VAL B 20 -8.365 8.643 -6.333 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.391 7.383 -4.854 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.269 9.085 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.736 9.210 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.154 7.575 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.785 7.927 -6.061 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.410 10.698 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.386 9.499 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.858 10.153 -5.152 1.00 0.00 H new ATOM 837 N GLU B 21 -9.808 6.062 -7.801 1.00 0.00 N ATOM 838 CA GLU B 21 -10.033 4.879 -8.613 1.00 0.00 C ATOM 839 C GLU B 21 -9.605 3.623 -7.851 1.00 0.00 C ATOM 840 O GLU B 21 -10.359 2.654 -7.771 1.00 0.00 O ATOM 841 CB GLU B 21 -9.300 4.984 -9.952 1.00 0.00 C ATOM 842 CG GLU B 21 -10.131 5.765 -10.972 1.00 0.00 C ATOM 843 CD GLU B 21 -11.281 4.912 -11.511 1.00 0.00 C ATOM 844 OE1 GLU B 21 -11.050 3.697 -11.692 1.00 0.00 O ATOM 845 OE2 GLU B 21 -12.365 5.494 -11.729 1.00 0.00 O ATOM 0 H GLU B 21 -9.169 6.744 -8.210 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.100 4.806 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.339 5.477 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.091 3.985 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.529 6.667 -10.508 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.494 6.086 -11.796 1.00 0.00 H new ATOM 852 N LEU B 22 -8.397 3.681 -7.310 1.00 0.00 N ATOM 853 CA LEU B 22 -7.863 2.564 -6.549 1.00 0.00 C ATOM 854 C LEU B 22 -8.854 2.184 -5.447 1.00 0.00 C ATOM 855 O LEU B 22 -9.405 1.085 -5.454 1.00 0.00 O ATOM 856 CB LEU B 22 -6.462 2.890 -6.030 1.00 0.00 C ATOM 857 CG LEU B 22 -5.712 1.740 -5.354 1.00 0.00 C ATOM 858 CD1 LEU B 22 -4.898 0.942 -6.375 1.00 0.00 C ATOM 859 CD2 LEU B 22 -4.844 2.253 -4.204 1.00 0.00 C ATOM 0 H LEU B 22 -7.773 4.484 -7.384 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.745 1.689 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -5.861 3.248 -6.866 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.542 3.713 -5.319 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.446 1.059 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.375 0.131 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.567 0.528 -7.130 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.172 1.599 -6.855 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.322 1.416 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.116 2.967 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.475 2.742 -3.462 1.00 0.00 H new ATOM 871 N ILE B 23 -9.051 3.116 -4.525 1.00 0.00 N ATOM 872 CA ILE B 23 -9.938 2.879 -3.399 1.00 0.00 C ATOM 873 C ILE B 23 -11.258 2.296 -3.908 1.00 0.00 C ATOM 874 O ILE B 23 -11.746 1.299 -3.378 1.00 0.00 O ATOM 875 CB ILE B 23 -10.107 4.155 -2.572 1.00 0.00 C ATOM 876 CG1 ILE B 23 -8.782 4.576 -1.935 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.217 3.992 -1.532 1.00 0.00 C ATOM 878 CD1 ILE B 23 -8.160 3.419 -1.150 1.00 0.00 C ATOM 0 H ILE B 23 -8.611 4.036 -4.535 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.505 2.143 -2.722 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.410 4.958 -3.243 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.091 4.908 -2.710 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.947 5.424 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.316 4.913 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.159 3.775 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -10.968 3.171 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -7.219 3.744 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -8.843 3.106 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -7.974 2.581 -1.822 1.00 0.00 H new ATOM 890 N SER B 24 -11.798 2.943 -4.931 1.00 0.00 N ATOM 891 CA SER B 24 -13.090 2.550 -5.467 1.00 0.00 C ATOM 892 C SER B 24 -13.050 1.085 -5.905 1.00 0.00 C ATOM 893 O SER B 24 -14.016 0.349 -5.710 1.00 0.00 O ATOM 894 CB SER B 24 -13.494 3.444 -6.640 1.00 0.00 C ATOM 895 OG SER B 24 -14.180 4.616 -6.207 1.00 0.00 O ATOM 0 H SER B 24 -11.364 3.737 -5.403 1.00 0.00 H new ATOM 0 HA SER B 24 -13.837 2.668 -4.682 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.604 3.731 -7.200 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.132 2.881 -7.322 1.00 0.00 H new ATOM 0 HG SER B 24 -13.528 5.311 -5.978 1.00 0.00 H new ATOM 901 N ALA B 25 -11.923 0.705 -6.489 1.00 0.00 N ATOM 902 CA ALA B 25 -11.751 -0.655 -6.970 1.00 0.00 C ATOM 903 C ALA B 25 -11.924 -1.630 -5.803 1.00 0.00 C ATOM 904 O ALA B 25 -12.809 -2.485 -5.830 1.00 0.00 O ATOM 905 CB ALA B 25 -10.384 -0.790 -7.644 1.00 0.00 C ATOM 0 H ALA B 25 -11.120 1.316 -6.640 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.508 -0.896 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.255 -1.811 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.322 -0.098 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.599 -0.558 -6.924 1.00 0.00 H new ATOM 911 N MET B 26 -11.066 -1.469 -4.807 1.00 0.00 N ATOM 912 CA MET B 26 -11.111 -2.326 -3.634 1.00 0.00 C ATOM 913 C MET B 26 -12.515 -2.350 -3.027 1.00 0.00 C ATOM 914 O MET B 26 -13.020 -3.411 -2.664 1.00 0.00 O ATOM 915 CB MET B 26 -10.113 -1.819 -2.592 1.00 0.00 C ATOM 916 CG MET B 26 -8.673 -2.075 -3.042 1.00 0.00 C ATOM 917 SD MET B 26 -7.534 -1.543 -1.775 1.00 0.00 S ATOM 918 CE MET B 26 -6.055 -1.337 -2.754 1.00 0.00 C ATOM 0 H MET B 26 -10.335 -0.758 -4.788 1.00 0.00 H new ATOM 0 HA MET B 26 -10.849 -3.340 -3.937 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.263 -0.752 -2.429 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.294 -2.315 -1.639 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.531 -3.136 -3.248 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.473 -1.540 -3.970 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.262 -0.921 -2.132 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.740 -2.304 -3.145 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.259 -0.660 -3.583 1.00 0.00 H new ATOM 928 N GLU B 27 -13.106 -1.168 -2.936 1.00 0.00 N ATOM 929 CA GLU B 27 -14.425 -1.034 -2.339 1.00 0.00 C ATOM 930 C GLU B 27 -15.395 -2.036 -2.968 1.00 0.00 C ATOM 931 O GLU B 27 -16.154 -2.698 -2.261 1.00 0.00 O ATOM 932 CB GLU B 27 -14.947 0.397 -2.479 1.00 0.00 C ATOM 933 CG GLU B 27 -14.513 1.258 -1.291 1.00 0.00 C ATOM 934 CD GLU B 27 -15.484 2.419 -1.071 1.00 0.00 C ATOM 935 OE1 GLU B 27 -15.999 2.929 -2.090 1.00 0.00 O ATOM 936 OE2 GLU B 27 -15.690 2.771 0.110 1.00 0.00 O ATOM 0 H GLU B 27 -12.696 -0.294 -3.266 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.346 -1.254 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.575 0.835 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.035 0.386 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.464 0.645 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.510 1.647 -1.466 1.00 0.00 H new ATOM 943 N GLU B 28 -15.340 -2.116 -4.289 1.00 0.00 N ATOM 944 CA GLU B 28 -16.247 -2.979 -5.026 1.00 0.00 C ATOM 945 C GLU B 28 -15.743 -4.424 -5.000 1.00 0.00 C ATOM 946 O GLU B 28 -16.528 -5.356 -4.830 1.00 0.00 O ATOM 947 CB GLU B 28 -16.428 -2.487 -6.463 1.00 0.00 C ATOM 948 CG GLU B 28 -17.744 -2.995 -7.055 1.00 0.00 C ATOM 949 CD GLU B 28 -17.650 -3.114 -8.578 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.642 -3.691 -9.041 1.00 0.00 O ATOM 951 OE2 GLU B 28 -18.588 -2.625 -9.244 1.00 0.00 O ATOM 0 H GLU B 28 -14.681 -1.597 -4.869 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.223 -2.946 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.413 -1.397 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.594 -2.828 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.989 -3.966 -6.625 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.553 -2.315 -6.789 1.00 0.00 H new ATOM 958 N LYS B 29 -14.437 -4.564 -5.171 1.00 0.00 N ATOM 959 CA LYS B 29 -13.825 -5.881 -5.213 1.00 0.00 C ATOM 960 C LYS B 29 -14.114 -6.615 -3.901 1.00 0.00 C ATOM 961 O LYS B 29 -14.810 -7.629 -3.894 1.00 0.00 O ATOM 962 CB LYS B 29 -12.334 -5.769 -5.539 1.00 0.00 C ATOM 963 CG LYS B 29 -11.658 -7.141 -5.491 1.00 0.00 C ATOM 964 CD LYS B 29 -11.795 -7.867 -6.831 1.00 0.00 C ATOM 965 CE LYS B 29 -10.676 -8.895 -7.014 1.00 0.00 C ATOM 966 NZ LYS B 29 -11.229 -10.181 -7.494 1.00 0.00 N ATOM 0 H LYS B 29 -13.785 -3.787 -5.282 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.259 -6.477 -6.015 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.206 -5.331 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.852 -5.097 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.603 -7.022 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.105 -7.743 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.763 -8.365 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.766 -7.143 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.942 -8.519 -7.726 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.155 -9.046 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.457 -10.868 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.913 -10.545 -6.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.706 -10.035 -8.406 1.00 0.00 H new ATOM 980 N PHE B 30 -13.565 -6.073 -2.824 1.00 0.00 N ATOM 981 CA PHE B 30 -13.752 -6.665 -1.511 1.00 0.00 C ATOM 982 C PHE B 30 -15.158 -6.385 -0.977 1.00 0.00 C ATOM 983 O PHE B 30 -15.524 -6.858 0.097 1.00 0.00 O ATOM 984 CB PHE B 30 -12.727 -6.017 -0.578 1.00 0.00 C ATOM 985 CG PHE B 30 -11.277 -6.391 -0.891 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.733 -7.517 -0.354 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.530 -5.599 -1.706 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.388 -7.864 -0.644 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.185 -5.946 -1.997 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.642 -7.071 -1.459 1.00 0.00 C ATOM 0 H PHE B 30 -12.991 -5.230 -2.834 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.624 -7.746 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.833 -4.934 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.952 -6.305 0.449 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.325 -8.147 0.293 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.961 -4.705 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.957 -8.758 -0.218 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.593 -5.317 -2.645 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.618 -7.335 -1.679 1.00 0.00 H new