USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 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: B 20 THR OG1 : rot -16:sc= 0.558 USER MOD Set 1.2: B 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 THR OG1 : rot -25:sc= 0.617 USER MOD Set 2.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -174:sc= 0 (180deg=-0.0437) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 153:sc= -0.201 (180deg=-1.31) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.04 (180deg=-0.399) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0239 (180deg=-0.339) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -174:sc= 0 (180deg=-0.0355) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 152:sc= -0.215 (180deg=-1.24) USER MOD Single : B 30 LYS NZ :NH3+ -161:sc= -0.0338 (180deg=-0.37) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -163:sc= -0.0131 (180deg=-0.32) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 7 6.420 -6.406 1.370 1.00 0.00 N ATOM 30 CA ALA A 7 7.397 -5.342 1.204 1.00 0.00 C ATOM 31 C ALA A 7 7.004 -4.126 2.037 1.00 0.00 C ATOM 32 O ALA A 7 7.862 -3.417 2.560 1.00 0.00 O ATOM 33 CB ALA A 7 7.496 -4.950 -0.273 1.00 0.00 C ATOM 0 HA ALA A 7 8.367 -5.703 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.230 -4.152 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.805 -5.816 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.524 -4.603 -0.623 1.00 0.00 H new ATOM 39 N ILE A 8 5.698 -3.884 2.148 1.00 0.00 N ATOM 40 CA ILE A 8 5.205 -2.741 2.913 1.00 0.00 C ATOM 41 C ILE A 8 5.535 -2.886 4.399 1.00 0.00 C ATOM 42 O ILE A 8 6.132 -1.994 5.000 1.00 0.00 O ATOM 43 CB ILE A 8 3.683 -2.615 2.737 1.00 0.00 C ATOM 44 CG1 ILE A 8 3.362 -2.180 1.300 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.131 -1.569 3.711 1.00 0.00 C ATOM 46 CD1 ILE A 8 3.740 -3.287 0.307 1.00 0.00 C ATOM 0 H ILE A 8 4.970 -4.458 1.723 1.00 0.00 H new ATOM 0 HA ILE A 8 5.698 -1.844 2.537 1.00 0.00 H new ATOM 0 HB ILE A 8 3.223 -3.582 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.300 -1.951 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.906 -1.267 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.052 -1.485 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.351 -1.873 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.597 -0.604 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.506 -2.962 -0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.807 -3.496 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.176 -4.191 0.538 1.00 0.00 H new ATOM 58 N ILE A 9 5.140 -4.012 4.987 1.00 0.00 N ATOM 59 CA ILE A 9 5.400 -4.245 6.400 1.00 0.00 C ATOM 60 C ILE A 9 6.886 -4.491 6.637 1.00 0.00 C ATOM 61 O ILE A 9 7.463 -3.996 7.606 1.00 0.00 O ATOM 62 CB ILE A 9 4.572 -5.437 6.904 1.00 0.00 C ATOM 63 CG1 ILE A 9 4.590 -5.480 8.446 1.00 0.00 C ATOM 64 CG2 ILE A 9 5.155 -6.735 6.346 1.00 0.00 C ATOM 65 CD1 ILE A 9 3.500 -4.559 9.010 1.00 0.00 C ATOM 0 H ILE A 9 4.645 -4.767 4.512 1.00 0.00 H new ATOM 0 HA ILE A 9 5.106 -3.356 6.958 1.00 0.00 H new ATOM 0 HB ILE A 9 3.542 -5.325 6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.429 -6.501 8.791 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.567 -5.169 8.815 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.568 -7.581 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.127 -6.708 5.257 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.187 -6.843 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.520 -4.596 10.099 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.680 -3.536 8.678 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.524 -4.890 8.654 1.00 0.00 H new ATOM 77 N GLY A 10 7.493 -5.272 5.744 1.00 0.00 N ATOM 78 CA GLY A 10 8.916 -5.597 5.849 1.00 0.00 C ATOM 79 C GLY A 10 9.713 -4.406 6.376 1.00 0.00 C ATOM 80 O GLY A 10 10.544 -4.548 7.273 1.00 0.00 O ATOM 0 H GLY A 10 7.023 -5.691 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.049 -6.451 6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.298 -5.891 4.872 1.00 0.00 H new ATOM 84 N LEU A 11 9.443 -3.233 5.813 1.00 0.00 N ATOM 85 CA LEU A 11 10.120 -2.015 6.235 1.00 0.00 C ATOM 86 C LEU A 11 9.546 -1.500 7.553 1.00 0.00 C ATOM 87 O LEU A 11 10.257 -0.900 8.347 1.00 0.00 O ATOM 88 CB LEU A 11 9.999 -0.942 5.140 1.00 0.00 C ATOM 89 CG LEU A 11 11.087 -1.160 4.074 1.00 0.00 C ATOM 90 CD1 LEU A 11 12.486 -0.859 4.661 1.00 0.00 C ATOM 91 CD2 LEU A 11 11.030 -2.616 3.580 1.00 0.00 C ATOM 0 H LEU A 11 8.762 -3.101 5.065 1.00 0.00 H new ATOM 0 HA LEU A 11 11.174 -2.242 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.012 -0.988 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.100 0.051 5.578 1.00 0.00 H new ATOM 0 HG LEU A 11 10.909 -0.482 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.244 -1.018 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.524 0.177 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.678 -1.523 5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.800 -2.774 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.200 -3.292 4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.050 -2.815 3.147 1.00 0.00 H new ATOM 103 N MET A 12 8.256 -1.718 7.764 1.00 0.00 N ATOM 104 CA MET A 12 7.601 -1.263 8.973 1.00 0.00 C ATOM 105 C MET A 12 8.218 -1.899 10.210 1.00 0.00 C ATOM 106 O MET A 12 8.767 -1.207 11.067 1.00 0.00 O ATOM 107 CB MET A 12 6.125 -1.636 8.877 1.00 0.00 C ATOM 108 CG MET A 12 5.313 -0.860 9.894 1.00 0.00 C ATOM 109 SD MET A 12 5.584 -1.539 11.555 1.00 0.00 S ATOM 110 CE MET A 12 6.114 -0.013 12.380 1.00 0.00 C ATOM 0 H MET A 12 7.645 -2.208 7.111 1.00 0.00 H new ATOM 0 HA MET A 12 7.722 -0.184 9.067 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.756 -1.427 7.873 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.003 -2.706 9.046 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.597 0.192 9.872 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.254 -0.910 9.640 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.433 -0.241 13.397 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.945 0.428 11.830 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.283 0.692 12.410 1.00 0.00 H new ATOM 120 N VAL A 13 8.125 -3.215 10.298 1.00 0.00 N ATOM 121 CA VAL A 13 8.676 -3.930 11.437 1.00 0.00 C ATOM 122 C VAL A 13 10.194 -3.832 11.454 1.00 0.00 C ATOM 123 O VAL A 13 10.818 -3.997 12.501 1.00 0.00 O ATOM 124 CB VAL A 13 8.237 -5.390 11.406 1.00 0.00 C ATOM 125 CG1 VAL A 13 6.726 -5.455 11.635 1.00 0.00 C ATOM 126 CG2 VAL A 13 8.579 -6.000 10.044 1.00 0.00 C ATOM 0 H VAL A 13 7.676 -3.807 9.599 1.00 0.00 H new ATOM 0 HA VAL A 13 8.296 -3.469 12.349 1.00 0.00 H new ATOM 0 HB VAL A 13 8.753 -5.950 12.186 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.399 -6.495 11.615 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.486 -5.018 12.604 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.215 -4.899 10.849 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.265 -7.043 10.023 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.061 -5.450 9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.655 -5.942 9.879 1.00 0.00 H new ATOM 136 N GLY A 14 10.788 -3.556 10.298 1.00 0.00 N ATOM 137 CA GLY A 14 12.238 -3.430 10.216 1.00 0.00 C ATOM 138 C GLY A 14 12.715 -2.077 10.750 1.00 0.00 C ATOM 139 O GLY A 14 13.689 -2.006 11.499 1.00 0.00 O ATOM 0 H GLY A 14 10.295 -3.417 9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.707 -4.233 10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.556 -3.546 9.180 1.00 0.00 H new ATOM 143 N GLY A 15 12.042 -1.002 10.337 1.00 0.00 N ATOM 144 CA GLY A 15 12.436 0.337 10.760 1.00 0.00 C ATOM 145 C GLY A 15 12.527 0.414 12.275 1.00 0.00 C ATOM 146 O GLY A 15 13.540 0.831 12.825 1.00 0.00 O ATOM 0 H GLY A 15 11.232 -1.033 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.399 0.595 10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.713 1.067 10.396 1.00 0.00 H new ATOM 150 N VAL A 16 11.457 0.012 12.943 1.00 0.00 N ATOM 151 CA VAL A 16 11.428 0.045 14.397 1.00 0.00 C ATOM 152 C VAL A 16 12.706 -0.566 14.963 1.00 0.00 C ATOM 153 O VAL A 16 13.371 0.038 15.801 1.00 0.00 O ATOM 154 CB VAL A 16 10.203 -0.704 14.932 1.00 0.00 C ATOM 155 CG1 VAL A 16 8.954 0.153 14.733 1.00 0.00 C ATOM 156 CG2 VAL A 16 10.031 -2.029 14.185 1.00 0.00 C ATOM 0 H VAL A 16 10.604 -0.338 12.506 1.00 0.00 H new ATOM 0 HA VAL A 16 11.362 1.085 14.716 1.00 0.00 H new ATOM 0 HB VAL A 16 10.346 -0.906 15.993 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.083 -0.380 15.114 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.068 1.093 15.272 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.819 0.358 13.671 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.158 -2.554 14.572 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.894 -1.832 13.122 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.918 -2.645 14.329 1.00 0.00 H new ATOM 166 N VAL A 17 13.040 -1.762 14.505 1.00 0.00 N ATOM 167 CA VAL A 17 14.239 -2.434 14.992 1.00 0.00 C ATOM 168 C VAL A 17 15.477 -1.572 14.742 1.00 0.00 C ATOM 169 O VAL A 17 16.318 -1.424 15.619 1.00 0.00 O ATOM 170 CB VAL A 17 14.408 -3.778 14.280 1.00 0.00 C ATOM 171 CG1 VAL A 17 15.754 -4.394 14.668 1.00 0.00 C ATOM 172 CG2 VAL A 17 13.279 -4.730 14.690 1.00 0.00 C ATOM 0 H VAL A 17 12.509 -2.283 13.807 1.00 0.00 H new ATOM 0 HA VAL A 17 14.130 -2.597 16.064 1.00 0.00 H new ATOM 0 HB VAL A 17 14.372 -3.619 13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.875 -5.351 14.161 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.560 -3.722 14.373 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.786 -4.548 15.747 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.405 -5.685 14.180 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.310 -4.888 15.768 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.318 -4.295 14.414 1.00 0.00 H new ATOM 182 N ILE A 18 15.579 -1.013 13.549 1.00 0.00 N ATOM 183 CA ILE A 18 16.732 -0.174 13.227 1.00 0.00 C ATOM 184 C ILE A 18 16.761 1.042 14.158 1.00 0.00 C ATOM 185 O ILE A 18 17.795 1.387 14.726 1.00 0.00 O ATOM 186 CB ILE A 18 16.650 0.277 11.772 1.00 0.00 C ATOM 187 CG1 ILE A 18 16.802 -0.945 10.864 1.00 0.00 C ATOM 188 CG2 ILE A 18 17.775 1.272 11.478 1.00 0.00 C ATOM 189 CD1 ILE A 18 16.430 -0.567 9.431 1.00 0.00 C ATOM 0 H ILE A 18 14.897 -1.118 12.798 1.00 0.00 H new ATOM 0 HA ILE A 18 17.648 -0.748 13.367 1.00 0.00 H new ATOM 0 HB ILE A 18 15.689 0.758 11.590 1.00 0.00 H new ATOM 0 HG12 ILE A 18 17.828 -1.312 10.900 1.00 0.00 H new ATOM 0 HG13 ILE A 18 16.162 -1.754 11.216 1.00 0.00 H new ATOM 0 HG21 ILE A 18 17.714 1.593 10.438 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.674 2.139 12.131 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.739 0.794 11.655 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.539 -1.438 8.785 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.397 -0.221 9.403 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.089 0.228 9.082 1.00 0.00 H new ATOM 201 N ALA A 19 15.614 1.687 14.281 1.00 0.00 N ATOM 202 CA ALA A 19 15.500 2.872 15.124 1.00 0.00 C ATOM 203 C ALA A 19 15.943 2.552 16.548 1.00 0.00 C ATOM 204 O ALA A 19 16.559 3.381 17.217 1.00 0.00 O ATOM 205 CB ALA A 19 14.058 3.381 15.140 1.00 0.00 C ATOM 0 H ALA A 19 14.750 1.415 13.812 1.00 0.00 H new ATOM 0 HA ALA A 19 16.146 3.647 14.712 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.991 4.265 15.774 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.751 3.637 14.126 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.402 2.604 15.532 1.00 0.00 H new ATOM 211 N THR A 20 15.628 1.347 17.006 1.00 0.00 N ATOM 212 CA THR A 20 16.000 0.933 18.356 1.00 0.00 C ATOM 213 C THR A 20 17.507 0.784 18.485 1.00 0.00 C ATOM 214 O THR A 20 18.035 0.820 19.587 1.00 0.00 O ATOM 215 CB THR A 20 15.319 -0.400 18.712 1.00 0.00 C ATOM 216 OG1 THR A 20 15.842 -1.430 17.888 1.00 0.00 O ATOM 217 CG2 THR A 20 13.793 -0.316 18.497 1.00 0.00 C ATOM 0 H THR A 20 15.120 0.644 16.469 1.00 0.00 H new ATOM 0 HA THR A 20 15.666 1.707 19.047 1.00 0.00 H new ATOM 0 HB THR A 20 15.515 -0.615 19.762 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.191 -1.040 17.059 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.336 -1.271 18.756 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.379 0.468 19.131 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.585 -0.086 17.452 1.00 0.00 H new ATOM 225 N MET A 21 18.184 0.600 17.357 1.00 0.00 N ATOM 226 CA MET A 21 19.635 0.436 17.360 1.00 0.00 C ATOM 227 C MET A 21 20.355 1.779 17.403 1.00 0.00 C ATOM 228 O MET A 21 21.389 1.907 18.061 1.00 0.00 O ATOM 229 CB MET A 21 20.085 -0.330 16.113 1.00 0.00 C ATOM 230 CG MET A 21 19.559 -1.766 16.166 1.00 0.00 C ATOM 231 SD MET A 21 20.407 -2.679 17.484 1.00 0.00 S ATOM 232 CE MET A 21 18.966 -3.009 18.533 1.00 0.00 C ATOM 0 H MET A 21 17.755 0.561 16.432 1.00 0.00 H new ATOM 0 HA MET A 21 19.894 -0.125 18.258 1.00 0.00 H new ATOM 0 HB2 MET A 21 19.717 0.169 15.217 1.00 0.00 H new ATOM 0 HB3 MET A 21 21.173 -0.334 16.051 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.484 -1.763 16.346 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.721 -2.258 15.207 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.278 -3.571 19.413 1.00 0.00 H new ATOM 0 HE2 MET A 21 18.519 -2.065 18.845 1.00 0.00 H new ATOM 0 HE3 MET A 21 18.233 -3.590 17.973 1.00 0.00 H new ATOM 242 N ILE A 22 19.830 2.778 16.696 1.00 0.00 N ATOM 243 CA ILE A 22 20.471 4.089 16.669 1.00 0.00 C ATOM 244 C ILE A 22 20.345 4.810 18.005 1.00 0.00 C ATOM 245 O ILE A 22 21.309 5.388 18.496 1.00 0.00 O ATOM 246 CB ILE A 22 19.833 4.943 15.573 1.00 0.00 C ATOM 247 CG1 ILE A 22 20.139 4.319 14.209 1.00 0.00 C ATOM 248 CG2 ILE A 22 20.412 6.365 15.624 1.00 0.00 C ATOM 249 CD1 ILE A 22 19.259 4.971 13.140 1.00 0.00 C ATOM 0 H ILE A 22 18.976 2.707 16.143 1.00 0.00 H new ATOM 0 HA ILE A 22 21.531 3.938 16.467 1.00 0.00 H new ATOM 0 HB ILE A 22 18.755 4.987 15.726 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.192 4.457 13.962 1.00 0.00 H new ATOM 0 HG13 ILE A 22 19.957 3.245 14.240 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.956 6.972 14.842 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.201 6.809 16.597 1.00 0.00 H new ATOM 0 HG23 ILE A 22 21.490 6.325 15.469 1.00 0.00 H new ATOM 0 HD11 ILE A 22 19.477 4.527 12.169 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.209 4.810 13.385 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.463 6.041 13.104 1.00 0.00 H new ATOM 261 N VAL A 23 19.145 4.809 18.576 1.00 0.00 N ATOM 262 CA VAL A 23 18.913 5.504 19.836 1.00 0.00 C ATOM 263 C VAL A 23 19.953 5.112 20.867 1.00 0.00 C ATOM 264 O VAL A 23 20.402 5.943 21.650 1.00 0.00 O ATOM 265 CB VAL A 23 17.529 5.146 20.359 1.00 0.00 C ATOM 266 CG1 VAL A 23 16.454 5.554 19.326 1.00 0.00 C ATOM 267 CG2 VAL A 23 17.471 3.625 20.621 1.00 0.00 C ATOM 0 H VAL A 23 18.326 4.339 18.191 1.00 0.00 H new ATOM 0 HA VAL A 23 18.984 6.577 19.660 1.00 0.00 H new ATOM 0 HB VAL A 23 17.335 5.682 21.288 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.466 5.295 19.707 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.505 6.629 19.153 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.631 5.026 18.389 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.483 3.358 20.996 1.00 0.00 H new ATOM 0 HG22 VAL A 23 17.664 3.088 19.692 1.00 0.00 H new ATOM 0 HG23 VAL A 23 18.225 3.354 21.360 1.00 0.00 H new ATOM 277 N ILE A 24 20.343 3.845 20.857 1.00 0.00 N ATOM 278 CA ILE A 24 21.351 3.378 21.804 1.00 0.00 C ATOM 279 C ILE A 24 22.530 4.349 21.802 1.00 0.00 C ATOM 280 O ILE A 24 23.011 4.759 22.857 1.00 0.00 O ATOM 281 CB ILE A 24 21.838 1.983 21.407 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.637 1.042 21.256 1.00 0.00 C ATOM 283 CG2 ILE A 24 22.796 1.439 22.468 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.781 1.038 22.533 1.00 0.00 C ATOM 0 H ILE A 24 19.987 3.133 20.219 1.00 0.00 H new ATOM 0 HA ILE A 24 20.913 3.330 22.801 1.00 0.00 H new ATOM 0 HB ILE A 24 22.367 2.047 20.456 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.029 1.354 20.407 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.986 0.031 21.044 1.00 0.00 H new ATOM 0 HG21 ILE A 24 23.137 0.446 22.176 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.654 2.105 22.559 1.00 0.00 H new ATOM 0 HG23 ILE A 24 22.281 1.378 23.427 1.00 0.00 H new ATOM 0 HD11 ILE A 24 18.935 0.363 22.402 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.386 0.702 23.375 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.414 2.046 22.728 1.00 0.00 H new ATOM 296 N THR A 25 22.978 4.726 20.607 1.00 0.00 N ATOM 297 CA THR A 25 24.093 5.668 20.494 1.00 0.00 C ATOM 298 C THR A 25 23.705 6.997 21.154 1.00 0.00 C ATOM 299 O THR A 25 24.424 7.513 22.010 1.00 0.00 O ATOM 300 CB THR A 25 24.454 5.878 19.006 1.00 0.00 C ATOM 301 OG1 THR A 25 25.206 4.764 18.540 1.00 0.00 O ATOM 302 CG2 THR A 25 25.279 7.159 18.827 1.00 0.00 C ATOM 0 H THR A 25 22.596 4.402 19.718 1.00 0.00 H new ATOM 0 HA THR A 25 24.968 5.266 21.004 1.00 0.00 H new ATOM 0 HB THR A 25 23.532 5.971 18.432 1.00 0.00 H new ATOM 0 HG1 THR A 25 25.434 4.895 17.596 1.00 0.00 H new ATOM 0 HG21 THR A 25 25.524 7.290 17.773 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.701 8.015 19.174 1.00 0.00 H new ATOM 0 HG23 THR A 25 26.199 7.083 19.406 1.00 0.00 H new ATOM 310 N LEU A 26 22.564 7.537 20.744 1.00 0.00 N ATOM 311 CA LEU A 26 22.071 8.802 21.289 1.00 0.00 C ATOM 312 C LEU A 26 22.082 8.751 22.816 1.00 0.00 C ATOM 313 O LEU A 26 22.477 9.706 23.486 1.00 0.00 O ATOM 314 CB LEU A 26 20.642 9.041 20.766 1.00 0.00 C ATOM 315 CG LEU A 26 19.997 10.299 21.399 1.00 0.00 C ATOM 316 CD1 LEU A 26 19.556 10.037 22.860 1.00 0.00 C ATOM 317 CD2 LEU A 26 20.985 11.480 21.349 1.00 0.00 C ATOM 0 H LEU A 26 21.960 7.121 20.035 1.00 0.00 H new ATOM 0 HA LEU A 26 22.715 9.622 20.972 1.00 0.00 H new ATOM 0 HB2 LEU A 26 20.666 9.152 19.682 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.025 8.169 20.983 1.00 0.00 H new ATOM 0 HG LEU A 26 19.107 10.546 20.820 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.108 10.941 23.272 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.826 9.228 22.880 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.424 9.757 23.457 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.523 12.360 21.796 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.888 11.223 21.903 1.00 0.00 H new ATOM 0 HD23 LEU A 26 21.244 11.694 20.312 1.00 0.00 H new ATOM 329 N VAL A 27 21.683 7.620 23.364 1.00 0.00 N ATOM 330 CA VAL A 27 21.682 7.471 24.806 1.00 0.00 C ATOM 331 C VAL A 27 23.115 7.494 25.331 1.00 0.00 C ATOM 332 O VAL A 27 23.509 8.413 26.042 1.00 0.00 O ATOM 333 CB VAL A 27 20.996 6.163 25.193 1.00 0.00 C ATOM 334 CG1 VAL A 27 21.057 5.989 26.714 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.532 6.206 24.733 1.00 0.00 C ATOM 0 H VAL A 27 21.361 6.804 22.844 1.00 0.00 H new ATOM 0 HA VAL A 27 21.132 8.300 25.252 1.00 0.00 H new ATOM 0 HB VAL A 27 21.501 5.324 24.715 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.568 5.056 26.993 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.098 5.964 27.036 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.548 6.824 27.196 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.037 5.274 25.007 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.024 7.042 25.214 1.00 0.00 H new ATOM 0 HG23 VAL A 27 19.494 6.333 23.651 1.00 0.00 H new ATOM 345 N MET A 28 23.884 6.475 24.974 1.00 0.00 N ATOM 346 CA MET A 28 25.275 6.387 25.413 1.00 0.00 C ATOM 347 C MET A 28 25.996 7.712 25.186 1.00 0.00 C ATOM 348 O MET A 28 26.980 8.014 25.861 1.00 0.00 O ATOM 349 CB MET A 28 26.002 5.267 24.663 1.00 0.00 C ATOM 350 CG MET A 28 25.423 3.913 25.080 1.00 0.00 C ATOM 351 SD MET A 28 26.242 2.593 24.152 1.00 0.00 S ATOM 352 CE MET A 28 27.892 2.790 24.870 1.00 0.00 C ATOM 0 H MET A 28 23.574 5.701 24.386 1.00 0.00 H new ATOM 0 HA MET A 28 25.280 6.163 26.480 1.00 0.00 H new ATOM 0 HB2 MET A 28 25.893 5.405 23.587 1.00 0.00 H new ATOM 0 HB3 MET A 28 27.069 5.301 24.882 1.00 0.00 H new ATOM 0 HG2 MET A 28 25.563 3.760 26.150 1.00 0.00 H new ATOM 0 HG3 MET A 28 24.349 3.892 24.892 1.00 0.00 H new ATOM 0 HE1 MET A 28 28.422 1.839 24.829 1.00 0.00 H new ATOM 0 HE2 MET A 28 28.447 3.539 24.306 1.00 0.00 H new ATOM 0 HE3 MET A 28 27.801 3.111 25.908 1.00 0.00 H new ATOM 362 N LEU A 29 25.498 8.510 24.245 1.00 0.00 N ATOM 363 CA LEU A 29 26.100 9.810 23.964 1.00 0.00 C ATOM 364 C LEU A 29 25.777 10.804 25.072 1.00 0.00 C ATOM 365 O LEU A 29 26.531 11.750 25.298 1.00 0.00 O ATOM 366 CB LEU A 29 25.618 10.348 22.604 1.00 0.00 C ATOM 367 CG LEU A 29 26.467 9.751 21.464 1.00 0.00 C ATOM 368 CD1 LEU A 29 25.856 10.151 20.116 1.00 0.00 C ATOM 369 CD2 LEU A 29 27.925 10.273 21.548 1.00 0.00 C ATOM 0 H LEU A 29 24.687 8.282 23.669 1.00 0.00 H new ATOM 0 HA LEU A 29 27.182 9.681 23.922 1.00 0.00 H new ATOM 0 HB2 LEU A 29 24.568 10.095 22.456 1.00 0.00 H new ATOM 0 HB3 LEU A 29 25.689 11.436 22.589 1.00 0.00 H new ATOM 0 HG LEU A 29 26.477 8.665 21.558 1.00 0.00 H new ATOM 0 HD11 LEU A 29 26.453 9.731 19.307 1.00 0.00 H new ATOM 0 HD12 LEU A 29 24.837 9.769 20.051 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.843 11.238 20.031 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.513 9.843 20.737 1.00 0.00 H new ATOM 0 HD22 LEU A 29 27.928 11.360 21.462 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.360 9.984 22.504 1.00 0.00 H new ATOM 381 N LYS A 30 24.654 10.599 25.755 1.00 0.00 N ATOM 382 CA LYS A 30 24.259 11.501 26.831 1.00 0.00 C ATOM 383 C LYS A 30 25.451 11.822 27.732 1.00 0.00 C ATOM 384 O LYS A 30 25.406 12.769 28.519 1.00 0.00 O ATOM 385 CB LYS A 30 23.142 10.871 27.669 1.00 0.00 C ATOM 386 CG LYS A 30 21.834 10.887 26.879 1.00 0.00 C ATOM 387 CD LYS A 30 20.733 10.212 27.698 1.00 0.00 C ATOM 388 CE LYS A 30 19.417 10.266 26.921 1.00 0.00 C ATOM 389 NZ LYS A 30 18.940 11.677 26.864 1.00 0.00 N ATOM 0 H LYS A 30 24.009 9.827 25.585 1.00 0.00 H new ATOM 0 HA LYS A 30 23.896 12.425 26.381 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.406 9.847 27.933 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.021 11.420 28.603 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.551 11.913 26.646 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.965 10.369 25.929 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.003 9.177 27.907 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.621 10.713 28.660 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.560 9.877 25.913 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.670 9.636 27.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.925 11.692 26.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.094 12.133 27.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.467 12.192 26.130 1.00 0.00 H new ATOM 403 N LYS A 31 26.525 11.036 27.607 1.00 0.00 N ATOM 404 CA LYS A 31 27.733 11.256 28.408 1.00 0.00 C ATOM 405 C LYS A 31 28.781 12.013 27.594 1.00 0.00 C ATOM 406 O LYS A 31 29.972 11.965 27.901 1.00 0.00 O ATOM 407 CB LYS A 31 28.319 9.919 28.863 1.00 0.00 C ATOM 408 CG LYS A 31 27.332 9.223 29.803 1.00 0.00 C ATOM 409 CD LYS A 31 28.014 8.032 30.484 1.00 0.00 C ATOM 410 CE LYS A 31 28.324 6.944 29.452 1.00 0.00 C ATOM 411 NZ LYS A 31 28.663 5.679 30.160 1.00 0.00 N ATOM 0 H LYS A 31 26.583 10.247 26.963 1.00 0.00 H new ATOM 0 HA LYS A 31 27.459 11.847 29.282 1.00 0.00 H new ATOM 0 HB2 LYS A 31 28.523 9.286 27.999 1.00 0.00 H new ATOM 0 HB3 LYS A 31 29.270 10.081 29.371 1.00 0.00 H new ATOM 0 HG2 LYS A 31 26.974 9.927 30.554 1.00 0.00 H new ATOM 0 HG3 LYS A 31 26.461 8.883 29.243 1.00 0.00 H new ATOM 0 HD2 LYS A 31 28.935 8.358 30.968 1.00 0.00 H new ATOM 0 HD3 LYS A 31 27.368 7.630 31.265 1.00 0.00 H new ATOM 0 HE2 LYS A 31 27.465 6.790 28.799 1.00 0.00 H new ATOM 0 HE3 LYS A 31 29.155 7.254 28.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 28.874 4.937 29.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 29.495 5.832 30.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 27.857 5.383 30.747 1.00 0.00 H new ATOM 425 N LYS A 32 28.326 12.716 26.564 1.00 0.00 N ATOM 426 CA LYS A 32 29.226 13.488 25.715 1.00 0.00 C ATOM 427 C LYS A 32 30.328 12.597 25.150 1.00 0.00 C ATOM 428 O LYS A 32 30.418 12.496 23.938 1.00 0.00 O ATOM 429 CB LYS A 32 29.853 14.629 26.522 1.00 0.00 C ATOM 430 CG LYS A 32 30.705 15.503 25.599 1.00 0.00 C ATOM 431 CD LYS A 32 31.263 16.689 26.389 1.00 0.00 C ATOM 432 CE LYS A 32 32.088 17.580 25.458 1.00 0.00 C ATOM 433 NZ LYS A 32 33.305 16.841 25.013 1.00 0.00 N ATOM 0 H LYS A 32 27.343 12.768 26.297 1.00 0.00 H new ATOM 0 HA LYS A 32 28.649 13.901 24.887 1.00 0.00 H new ATOM 0 HB2 LYS A 32 29.072 15.229 26.989 1.00 0.00 H new ATOM 0 HB3 LYS A 32 30.468 14.224 27.326 1.00 0.00 H new ATOM 0 HG2 LYS A 32 31.522 14.917 25.178 1.00 0.00 H new ATOM 0 HG3 LYS A 32 30.104 15.860 24.763 1.00 0.00 H new ATOM 0 HD2 LYS A 32 30.447 17.262 26.830 1.00 0.00 H new ATOM 0 HD3 LYS A 32 31.883 16.332 27.212 1.00 0.00 H new ATOM 0 HE2 LYS A 32 31.491 17.873 24.594 1.00 0.00 H new ATOM 0 HE3 LYS A 32 32.374 18.497 25.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 34.005 17.516 24.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 33.712 16.325 25.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 33.047 16.166 24.265 1.00 0.00 H new ATOM 448 N LYS B 5 -3.043 7.117 1.387 1.00 0.00 N ATOM 449 CA LYS B 5 -2.498 5.958 2.150 1.00 0.00 C ATOM 450 C LYS B 5 -1.682 6.469 3.333 1.00 0.00 C ATOM 451 O LYS B 5 -0.706 5.842 3.744 1.00 0.00 O ATOM 452 CB LYS B 5 -1.616 5.114 1.228 1.00 0.00 C ATOM 453 CG LYS B 5 -2.486 4.445 0.162 1.00 0.00 C ATOM 454 CD LYS B 5 -1.603 3.613 -0.770 1.00 0.00 C ATOM 455 CE LYS B 5 -2.476 2.927 -1.823 1.00 0.00 C ATOM 456 NZ LYS B 5 -1.616 2.112 -2.728 1.00 0.00 N ATOM 0 HA LYS B 5 -3.317 5.342 2.522 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -0.861 5.742 0.755 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -1.085 4.358 1.807 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -3.234 3.809 0.635 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.025 5.201 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -0.864 4.252 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -1.052 2.867 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.217 2.291 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.024 3.673 -2.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.209 1.646 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -0.925 2.730 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -1.113 1.391 -2.172 1.00 0.00 H new ATOM 469 N GLY B 6 -2.089 7.612 3.875 1.00 0.00 N ATOM 470 CA GLY B 6 -1.392 8.201 5.012 1.00 0.00 C ATOM 471 C GLY B 6 -1.505 7.310 6.240 1.00 0.00 C ATOM 472 O GLY B 6 -0.640 7.322 7.114 1.00 0.00 O ATOM 0 H GLY B 6 -2.894 8.146 3.547 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -0.342 8.351 4.762 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -1.811 9.183 5.231 1.00 0.00 H new ATOM 476 N ALA B 7 -2.579 6.540 6.304 1.00 0.00 N ATOM 477 CA ALA B 7 -2.790 5.645 7.430 1.00 0.00 C ATOM 478 C ALA B 7 -1.696 4.582 7.473 1.00 0.00 C ATOM 479 O ALA B 7 -1.282 4.149 8.548 1.00 0.00 O ATOM 480 CB ALA B 7 -4.162 4.975 7.316 1.00 0.00 C ATOM 0 H ALA B 7 -3.313 6.516 5.596 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.752 6.227 8.351 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -4.312 4.306 8.164 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -4.940 5.738 7.314 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -4.212 4.403 6.389 1.00 0.00 H new ATOM 486 N ILE B 8 -1.239 4.157 6.296 1.00 0.00 N ATOM 487 CA ILE B 8 -0.199 3.133 6.215 1.00 0.00 C ATOM 488 C ILE B 8 1.122 3.640 6.795 1.00 0.00 C ATOM 489 O ILE B 8 1.705 3.008 7.673 1.00 0.00 O ATOM 490 CB ILE B 8 0.010 2.719 4.751 1.00 0.00 C ATOM 491 CG1 ILE B 8 -1.219 1.944 4.251 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.248 1.823 4.633 1.00 0.00 C ATOM 493 CD1 ILE B 8 -2.444 2.864 4.187 1.00 0.00 C ATOM 0 H ILE B 8 -1.568 4.502 5.394 1.00 0.00 H new ATOM 0 HA ILE B 8 -0.524 2.273 6.800 1.00 0.00 H new ATOM 0 HB ILE B 8 0.150 3.616 4.148 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -1.017 1.528 3.264 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -1.422 1.104 4.915 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.390 1.533 3.592 1.00 0.00 H new ATOM 0 HG22 ILE B 8 2.126 2.368 4.981 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.110 0.930 5.242 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -3.305 2.299 3.831 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.655 3.259 5.181 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -2.244 3.689 3.504 1.00 0.00 H new ATOM 505 N ILE B 9 1.590 4.782 6.296 1.00 0.00 N ATOM 506 CA ILE B 9 2.843 5.347 6.775 1.00 0.00 C ATOM 507 C ILE B 9 2.679 5.885 8.192 1.00 0.00 C ATOM 508 O ILE B 9 3.554 5.709 9.039 1.00 0.00 O ATOM 509 CB ILE B 9 3.318 6.462 5.830 1.00 0.00 C ATOM 510 CG1 ILE B 9 4.784 6.830 6.144 1.00 0.00 C ATOM 511 CG2 ILE B 9 2.430 7.694 6.006 1.00 0.00 C ATOM 512 CD1 ILE B 9 5.734 5.880 5.404 1.00 0.00 C ATOM 0 H ILE B 9 1.125 5.326 5.569 1.00 0.00 H new ATOM 0 HA ILE B 9 3.596 4.559 6.792 1.00 0.00 H new ATOM 0 HB ILE B 9 3.252 6.110 4.800 1.00 0.00 H new ATOM 0 HG12 ILE B 9 4.981 7.860 5.845 1.00 0.00 H new ATOM 0 HG13 ILE B 9 4.960 6.770 7.218 1.00 0.00 H new ATOM 0 HG21 ILE B 9 2.767 8.484 5.336 1.00 0.00 H new ATOM 0 HG22 ILE B 9 1.398 7.435 5.771 1.00 0.00 H new ATOM 0 HG23 ILE B 9 2.491 8.042 7.037 1.00 0.00 H new ATOM 0 HD11 ILE B 9 6.766 6.147 5.632 1.00 0.00 H new ATOM 0 HD12 ILE B 9 5.546 4.855 5.724 1.00 0.00 H new ATOM 0 HD13 ILE B 9 5.566 5.962 4.330 1.00 0.00 H new ATOM 524 N GLY B 10 1.550 6.550 8.432 1.00 0.00 N ATOM 525 CA GLY B 10 1.261 7.126 9.746 1.00 0.00 C ATOM 526 C GLY B 10 1.777 6.225 10.865 1.00 0.00 C ATOM 527 O GLY B 10 2.414 6.690 11.810 1.00 0.00 O ATOM 0 H GLY B 10 0.821 6.704 7.735 1.00 0.00 H new ATOM 0 HA2 GLY B 10 1.723 8.110 9.825 1.00 0.00 H new ATOM 0 HA3 GLY B 10 0.186 7.269 9.856 1.00 0.00 H new ATOM 531 N LEU B 11 1.504 4.931 10.739 1.00 0.00 N ATOM 532 CA LEU B 11 1.952 3.959 11.728 1.00 0.00 C ATOM 533 C LEU B 11 3.435 3.642 11.547 1.00 0.00 C ATOM 534 O LEU B 11 4.128 3.348 12.511 1.00 0.00 O ATOM 535 CB LEU B 11 1.111 2.677 11.620 1.00 0.00 C ATOM 536 CG LEU B 11 -0.201 2.846 12.409 1.00 0.00 C ATOM 537 CD1 LEU B 11 0.087 2.915 13.928 1.00 0.00 C ATOM 538 CD2 LEU B 11 -0.905 4.136 11.953 1.00 0.00 C ATOM 0 H LEU B 11 0.976 4.532 9.963 1.00 0.00 H new ATOM 0 HA LEU B 11 1.819 4.388 12.721 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.892 2.462 10.574 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.673 1.828 12.009 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.845 1.988 12.217 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.851 3.034 14.471 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.577 1.995 14.248 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.738 3.764 14.137 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.834 4.259 12.509 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.255 4.991 12.139 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.126 4.073 10.887 1.00 0.00 H new ATOM 550 N MET B 12 3.903 3.681 10.309 1.00 0.00 N ATOM 551 CA MET B 12 5.292 3.386 10.016 1.00 0.00 C ATOM 552 C MET B 12 6.224 4.364 10.717 1.00 0.00 C ATOM 553 O MET B 12 7.029 3.971 11.562 1.00 0.00 O ATOM 554 CB MET B 12 5.481 3.476 8.506 1.00 0.00 C ATOM 555 CG MET B 12 6.777 2.806 8.092 1.00 0.00 C ATOM 556 SD MET B 12 8.190 3.855 8.532 1.00 0.00 S ATOM 557 CE MET B 12 9.114 2.650 9.525 1.00 0.00 C ATOM 0 H MET B 12 3.339 3.915 9.492 1.00 0.00 H new ATOM 0 HA MET B 12 5.537 2.387 10.378 1.00 0.00 H new ATOM 0 HB2 MET B 12 4.641 3.001 7.999 1.00 0.00 H new ATOM 0 HB3 MET B 12 5.490 4.521 8.196 1.00 0.00 H new ATOM 0 HG2 MET B 12 6.867 1.837 8.583 1.00 0.00 H new ATOM 0 HG3 MET B 12 6.772 2.620 7.018 1.00 0.00 H new ATOM 0 HE1 MET B 12 9.975 3.138 9.981 1.00 0.00 H new ATOM 0 HE2 MET B 12 8.468 2.251 10.307 1.00 0.00 H new ATOM 0 HE3 MET B 12 9.455 1.836 8.885 1.00 0.00 H new ATOM 567 N VAL B 13 6.112 5.634 10.364 1.00 0.00 N ATOM 568 CA VAL B 13 6.953 6.656 10.965 1.00 0.00 C ATOM 569 C VAL B 13 6.632 6.820 12.442 1.00 0.00 C ATOM 570 O VAL B 13 7.460 7.303 13.212 1.00 0.00 O ATOM 571 CB VAL B 13 6.776 7.982 10.231 1.00 0.00 C ATOM 572 CG1 VAL B 13 7.339 7.840 8.816 1.00 0.00 C ATOM 573 CG2 VAL B 13 5.289 8.335 10.161 1.00 0.00 C ATOM 0 H VAL B 13 5.451 5.981 9.669 1.00 0.00 H new ATOM 0 HA VAL B 13 7.993 6.342 10.877 1.00 0.00 H new ATOM 0 HB VAL B 13 7.304 8.774 10.762 1.00 0.00 H new ATOM 0 HG11 VAL B 13 7.219 8.782 8.280 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.398 7.586 8.869 1.00 0.00 H new ATOM 0 HG13 VAL B 13 6.803 7.051 8.288 1.00 0.00 H new ATOM 0 HG21 VAL B 13 5.164 9.282 9.636 1.00 0.00 H new ATOM 0 HG22 VAL B 13 4.754 7.551 9.626 1.00 0.00 H new ATOM 0 HG23 VAL B 13 4.888 8.424 11.171 1.00 0.00 H new ATOM 583 N GLY B 14 5.432 6.411 12.841 1.00 0.00 N ATOM 584 CA GLY B 14 5.033 6.517 14.240 1.00 0.00 C ATOM 585 C GLY B 14 5.661 5.407 15.087 1.00 0.00 C ATOM 586 O GLY B 14 6.160 5.661 16.182 1.00 0.00 O ATOM 0 H GLY B 14 4.727 6.008 12.224 1.00 0.00 H new ATOM 0 HA2 GLY B 14 5.332 7.489 14.632 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.947 6.463 14.315 1.00 0.00 H new ATOM 590 N GLY B 15 5.605 4.172 14.587 1.00 0.00 N ATOM 591 CA GLY B 15 6.144 3.038 15.330 1.00 0.00 C ATOM 592 C GLY B 15 7.586 3.299 15.734 1.00 0.00 C ATOM 593 O GLY B 15 7.944 3.181 16.900 1.00 0.00 O ATOM 0 H GLY B 15 5.197 3.935 13.683 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.539 2.858 16.218 1.00 0.00 H new ATOM 0 HA3 GLY B 15 6.089 2.137 14.719 1.00 0.00 H new ATOM 597 N VAL B 16 8.408 3.647 14.757 1.00 0.00 N ATOM 598 CA VAL B 16 9.814 3.916 15.025 1.00 0.00 C ATOM 599 C VAL B 16 9.951 4.836 16.232 1.00 0.00 C ATOM 600 O VAL B 16 10.699 4.542 17.163 1.00 0.00 O ATOM 601 CB VAL B 16 10.488 4.543 13.801 1.00 0.00 C ATOM 602 CG1 VAL B 16 10.733 3.467 12.745 1.00 0.00 C ATOM 603 CG2 VAL B 16 9.592 5.636 13.209 1.00 0.00 C ATOM 0 H VAL B 16 8.131 3.749 13.781 1.00 0.00 H new ATOM 0 HA VAL B 16 10.311 2.971 15.243 1.00 0.00 H new ATOM 0 HB VAL B 16 11.437 4.983 14.107 1.00 0.00 H new ATOM 0 HG11 VAL B 16 11.213 3.914 11.874 1.00 0.00 H new ATOM 0 HG12 VAL B 16 11.380 2.693 13.158 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.782 3.025 12.448 1.00 0.00 H new ATOM 0 HG21 VAL B 16 10.080 6.075 12.339 1.00 0.00 H new ATOM 0 HG22 VAL B 16 8.638 5.202 12.909 1.00 0.00 H new ATOM 0 HG23 VAL B 16 9.419 6.409 13.957 1.00 0.00 H new ATOM 613 N VAL B 17 9.235 5.949 16.212 1.00 0.00 N ATOM 614 CA VAL B 17 9.306 6.899 17.314 1.00 0.00 C ATOM 615 C VAL B 17 8.920 6.225 18.631 1.00 0.00 C ATOM 616 O VAL B 17 9.585 6.410 19.643 1.00 0.00 O ATOM 617 CB VAL B 17 8.361 8.073 17.052 1.00 0.00 C ATOM 618 CG1 VAL B 17 8.313 8.975 18.288 1.00 0.00 C ATOM 619 CG2 VAL B 17 8.858 8.885 15.850 1.00 0.00 C ATOM 0 H VAL B 17 8.605 6.216 15.456 1.00 0.00 H new ATOM 0 HA VAL B 17 10.331 7.262 17.388 1.00 0.00 H new ATOM 0 HB VAL B 17 7.364 7.688 16.839 1.00 0.00 H new ATOM 0 HG11 VAL B 17 7.640 9.812 18.102 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.953 8.402 19.143 1.00 0.00 H new ATOM 0 HG13 VAL B 17 9.313 9.354 18.501 1.00 0.00 H new ATOM 0 HG21 VAL B 17 8.180 9.719 15.669 1.00 0.00 H new ATOM 0 HG22 VAL B 17 9.857 9.268 16.058 1.00 0.00 H new ATOM 0 HG23 VAL B 17 8.890 8.246 14.968 1.00 0.00 H new ATOM 629 N ILE B 18 7.848 5.453 18.610 1.00 0.00 N ATOM 630 CA ILE B 18 7.410 4.773 19.826 1.00 0.00 C ATOM 631 C ILE B 18 8.497 3.800 20.295 1.00 0.00 C ATOM 632 O ILE B 18 8.855 3.761 21.470 1.00 0.00 O ATOM 633 CB ILE B 18 6.111 4.018 19.554 1.00 0.00 C ATOM 634 CG1 ILE B 18 5.002 5.031 19.262 1.00 0.00 C ATOM 635 CG2 ILE B 18 5.730 3.190 20.784 1.00 0.00 C ATOM 636 CD1 ILE B 18 3.778 4.303 18.706 1.00 0.00 C ATOM 0 H ILE B 18 7.272 5.280 17.786 1.00 0.00 H new ATOM 0 HA ILE B 18 7.234 5.511 20.609 1.00 0.00 H new ATOM 0 HB ILE B 18 6.244 3.353 18.700 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.736 5.568 20.173 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.353 5.774 18.545 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.803 2.652 20.587 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.524 2.476 21.002 1.00 0.00 H new ATOM 0 HG23 ILE B 18 5.592 3.851 21.639 1.00 0.00 H new ATOM 0 HD11 ILE B 18 2.988 5.025 18.498 1.00 0.00 H new ATOM 0 HD12 ILE B 18 4.049 3.787 17.785 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.423 3.577 19.438 1.00 0.00 H new ATOM 648 N ALA B 19 8.993 3.013 19.358 1.00 0.00 N ATOM 649 CA ALA B 19 10.026 2.030 19.664 1.00 0.00 C ATOM 650 C ALA B 19 11.231 2.713 20.303 1.00 0.00 C ATOM 651 O ALA B 19 11.863 2.161 21.203 1.00 0.00 O ATOM 652 CB ALA B 19 10.466 1.301 18.393 1.00 0.00 C ATOM 0 H ALA B 19 8.701 3.032 18.381 1.00 0.00 H new ATOM 0 HA ALA B 19 9.611 1.304 20.363 1.00 0.00 H new ATOM 0 HB1 ALA B 19 11.237 0.571 18.640 1.00 0.00 H new ATOM 0 HB2 ALA B 19 9.610 0.789 17.952 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.864 2.022 17.679 1.00 0.00 H new ATOM 658 N THR B 20 11.543 3.915 19.835 1.00 0.00 N ATOM 659 CA THR B 20 12.679 4.659 20.371 1.00 0.00 C ATOM 660 C THR B 20 12.425 5.084 21.808 1.00 0.00 C ATOM 661 O THR B 20 13.362 5.368 22.540 1.00 0.00 O ATOM 662 CB THR B 20 12.955 5.904 19.510 1.00 0.00 C ATOM 663 OG1 THR B 20 11.868 6.809 19.630 1.00 0.00 O ATOM 664 CG2 THR B 20 13.122 5.521 18.025 1.00 0.00 C ATOM 0 H THR B 20 11.032 4.393 19.093 1.00 0.00 H new ATOM 0 HA THR B 20 13.548 4.002 20.350 1.00 0.00 H new ATOM 0 HB THR B 20 13.877 6.367 19.861 1.00 0.00 H new ATOM 0 HG1 THR B 20 11.093 6.342 20.006 1.00 0.00 H new ATOM 0 HG21 THR B 20 13.316 6.418 17.437 1.00 0.00 H new ATOM 0 HG22 THR B 20 13.958 4.830 17.919 1.00 0.00 H new ATOM 0 HG23 THR B 20 12.210 5.044 17.668 1.00 0.00 H new ATOM 672 N MET B 21 11.156 5.140 22.195 1.00 0.00 N ATOM 673 CA MET B 21 10.791 5.543 23.550 1.00 0.00 C ATOM 674 C MET B 21 10.887 4.379 24.530 1.00 0.00 C ATOM 675 O MET B 21 11.296 4.567 25.678 1.00 0.00 O ATOM 676 CB MET B 21 9.363 6.095 23.574 1.00 0.00 C ATOM 677 CG MET B 21 9.299 7.405 22.782 1.00 0.00 C ATOM 678 SD MET B 21 10.219 8.697 23.662 1.00 0.00 S ATOM 679 CE MET B 21 11.496 8.997 22.412 1.00 0.00 C ATOM 0 H MET B 21 10.364 4.913 21.593 1.00 0.00 H new ATOM 0 HA MET B 21 11.496 6.316 23.857 1.00 0.00 H new ATOM 0 HB2 MET B 21 8.675 5.367 23.146 1.00 0.00 H new ATOM 0 HB3 MET B 21 9.047 6.266 24.603 1.00 0.00 H new ATOM 0 HG2 MET B 21 9.719 7.260 21.787 1.00 0.00 H new ATOM 0 HG3 MET B 21 8.261 7.711 22.649 1.00 0.00 H new ATOM 0 HE1 MET B 21 12.176 9.772 22.765 1.00 0.00 H new ATOM 0 HE2 MET B 21 12.054 8.078 22.235 1.00 0.00 H new ATOM 0 HE3 MET B 21 11.027 9.322 21.483 1.00 0.00 H new ATOM 689 N ILE B 22 10.501 3.180 24.096 1.00 0.00 N ATOM 690 CA ILE B 22 10.546 2.018 24.979 1.00 0.00 C ATOM 691 C ILE B 22 11.974 1.582 25.274 1.00 0.00 C ATOM 692 O ILE B 22 12.315 1.289 26.417 1.00 0.00 O ATOM 693 CB ILE B 22 9.788 0.859 24.331 1.00 0.00 C ATOM 694 CG1 ILE B 22 8.305 1.227 24.223 1.00 0.00 C ATOM 695 CG2 ILE B 22 9.938 -0.403 25.192 1.00 0.00 C ATOM 696 CD1 ILE B 22 7.598 0.232 23.301 1.00 0.00 C ATOM 0 H ILE B 22 10.159 2.990 23.154 1.00 0.00 H new ATOM 0 HA ILE B 22 10.080 2.299 25.923 1.00 0.00 H new ATOM 0 HB ILE B 22 10.195 0.668 23.338 1.00 0.00 H new ATOM 0 HG12 ILE B 22 7.844 1.215 25.210 1.00 0.00 H new ATOM 0 HG13 ILE B 22 8.198 2.239 23.833 1.00 0.00 H new ATOM 0 HG21 ILE B 22 9.397 -1.227 24.727 1.00 0.00 H new ATOM 0 HG22 ILE B 22 10.993 -0.663 25.275 1.00 0.00 H new ATOM 0 HG23 ILE B 22 9.531 -0.216 26.186 1.00 0.00 H new ATOM 0 HD11 ILE B 22 6.543 0.494 23.224 1.00 0.00 H new ATOM 0 HD12 ILE B 22 8.053 0.266 22.311 1.00 0.00 H new ATOM 0 HD13 ILE B 22 7.693 -0.774 23.710 1.00 0.00 H new ATOM 708 N VAL B 23 12.802 1.503 24.239 1.00 0.00 N ATOM 709 CA VAL B 23 14.180 1.056 24.413 1.00 0.00 C ATOM 710 C VAL B 23 14.856 1.825 25.531 1.00 0.00 C ATOM 711 O VAL B 23 15.638 1.264 26.294 1.00 0.00 O ATOM 712 CB VAL B 23 14.946 1.279 23.116 1.00 0.00 C ATOM 713 CG1 VAL B 23 14.278 0.492 21.966 1.00 0.00 C ATOM 714 CG2 VAL B 23 14.958 2.789 22.796 1.00 0.00 C ATOM 0 H VAL B 23 12.548 1.740 23.280 1.00 0.00 H new ATOM 0 HA VAL B 23 14.175 -0.003 24.671 1.00 0.00 H new ATOM 0 HB VAL B 23 15.970 0.923 23.226 1.00 0.00 H new ATOM 0 HG11 VAL B 23 14.832 0.657 21.042 1.00 0.00 H new ATOM 0 HG12 VAL B 23 14.279 -0.572 22.204 1.00 0.00 H new ATOM 0 HG13 VAL B 23 13.251 0.835 21.839 1.00 0.00 H new ATOM 0 HG21 VAL B 23 15.504 2.960 21.868 1.00 0.00 H new ATOM 0 HG22 VAL B 23 13.934 3.146 22.685 1.00 0.00 H new ATOM 0 HG23 VAL B 23 15.444 3.329 23.608 1.00 0.00 H new ATOM 724 N ILE B 24 14.547 3.109 25.633 1.00 0.00 N ATOM 725 CA ILE B 24 15.139 3.928 26.689 1.00 0.00 C ATOM 726 C ILE B 24 15.021 3.190 28.021 1.00 0.00 C ATOM 727 O ILE B 24 15.987 3.100 28.777 1.00 0.00 O ATOM 728 CB ILE B 24 14.410 5.270 26.784 1.00 0.00 C ATOM 729 CG1 ILE B 24 14.391 5.944 25.408 1.00 0.00 C ATOM 730 CG2 ILE B 24 15.109 6.176 27.798 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.815 6.074 24.841 1.00 0.00 C ATOM 0 H ILE B 24 13.904 3.602 25.013 1.00 0.00 H new ATOM 0 HA ILE B 24 16.188 4.110 26.457 1.00 0.00 H new ATOM 0 HB ILE B 24 13.386 5.097 27.114 1.00 0.00 H new ATOM 0 HG12 ILE B 24 13.774 5.363 24.723 1.00 0.00 H new ATOM 0 HG13 ILE B 24 13.936 6.931 25.488 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.583 7.129 27.858 1.00 0.00 H new ATOM 0 HG22 ILE B 24 15.106 5.697 28.777 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.138 6.349 27.483 1.00 0.00 H new ATOM 0 HD11 ILE B 24 15.775 6.555 23.864 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.422 6.676 25.517 1.00 0.00 H new ATOM 0 HD13 ILE B 24 16.258 5.083 24.740 1.00 0.00 H new ATOM 743 N THR B 25 13.836 2.653 28.293 1.00 0.00 N ATOM 744 CA THR B 25 13.622 1.911 29.535 1.00 0.00 C ATOM 745 C THR B 25 14.569 0.703 29.576 1.00 0.00 C ATOM 746 O THR B 25 15.301 0.505 30.545 1.00 0.00 O ATOM 747 CB THR B 25 12.148 1.457 29.632 1.00 0.00 C ATOM 748 OG1 THR B 25 11.341 2.559 30.029 1.00 0.00 O ATOM 749 CG2 THR B 25 11.997 0.322 30.653 1.00 0.00 C ATOM 0 H THR B 25 13.021 2.714 27.683 1.00 0.00 H new ATOM 0 HA THR B 25 13.836 2.555 30.388 1.00 0.00 H new ATOM 0 HB THR B 25 11.829 1.093 28.655 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.405 2.274 30.090 1.00 0.00 H new ATOM 0 HG21 THR B 25 10.952 0.017 30.706 1.00 0.00 H new ATOM 0 HG22 THR B 25 12.608 -0.527 30.346 1.00 0.00 H new ATOM 0 HG23 THR B 25 12.324 0.669 31.633 1.00 0.00 H new ATOM 757 N LEU B 26 14.537 -0.092 28.515 1.00 0.00 N ATOM 758 CA LEU B 26 15.387 -1.280 28.418 1.00 0.00 C ATOM 759 C LEU B 26 16.837 -0.907 28.721 1.00 0.00 C ATOM 760 O LEU B 26 17.545 -1.620 29.434 1.00 0.00 O ATOM 761 CB LEU B 26 15.262 -1.861 26.998 1.00 0.00 C ATOM 762 CG LEU B 26 16.229 -3.049 26.771 1.00 0.00 C ATOM 763 CD1 LEU B 26 17.688 -2.565 26.583 1.00 0.00 C ATOM 764 CD2 LEU B 26 16.146 -4.029 27.957 1.00 0.00 C ATOM 0 H LEU B 26 13.933 0.061 27.707 1.00 0.00 H new ATOM 0 HA LEU B 26 15.070 -2.029 29.144 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.237 -2.191 26.830 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.469 -1.080 26.267 1.00 0.00 H new ATOM 0 HG LEU B 26 15.926 -3.559 25.857 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.339 -3.425 26.426 1.00 0.00 H new ATOM 0 HD12 LEU B 26 17.744 -1.905 25.717 1.00 0.00 H new ATOM 0 HD13 LEU B 26 18.009 -2.024 27.473 1.00 0.00 H new ATOM 0 HD21 LEU B 26 16.829 -4.862 27.789 1.00 0.00 H new ATOM 0 HD22 LEU B 26 16.422 -3.512 28.876 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.128 -4.407 28.046 1.00 0.00 H new ATOM 776 N VAL B 27 17.268 0.228 28.206 1.00 0.00 N ATOM 777 CA VAL B 27 18.623 0.675 28.460 1.00 0.00 C ATOM 778 C VAL B 27 18.793 1.004 29.941 1.00 0.00 C ATOM 779 O VAL B 27 19.537 0.333 30.652 1.00 0.00 O ATOM 780 CB VAL B 27 18.936 1.900 27.605 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.349 2.399 27.929 1.00 0.00 C ATOM 782 CG2 VAL B 27 18.848 1.516 26.121 1.00 0.00 C ATOM 0 H VAL B 27 16.710 0.848 27.619 1.00 0.00 H new ATOM 0 HA VAL B 27 19.318 -0.122 28.196 1.00 0.00 H new ATOM 0 HB VAL B 27 18.218 2.692 27.817 1.00 0.00 H new ATOM 0 HG11 VAL B 27 20.575 3.274 27.319 1.00 0.00 H new ATOM 0 HG12 VAL B 27 20.407 2.667 28.984 1.00 0.00 H new ATOM 0 HG13 VAL B 27 21.071 1.611 27.714 1.00 0.00 H new ATOM 0 HG21 VAL B 27 19.071 2.388 25.506 1.00 0.00 H new ATOM 0 HG22 VAL B 27 19.568 0.727 25.906 1.00 0.00 H new ATOM 0 HG23 VAL B 27 17.842 1.161 25.896 1.00 0.00 H new ATOM 792 N MET B 28 18.101 2.040 30.392 1.00 0.00 N ATOM 793 CA MET B 28 18.180 2.451 31.792 1.00 0.00 C ATOM 794 C MET B 28 18.016 1.247 32.717 1.00 0.00 C ATOM 795 O MET B 28 18.483 1.265 33.855 1.00 0.00 O ATOM 796 CB MET B 28 17.104 3.495 32.104 1.00 0.00 C ATOM 797 CG MET B 28 17.410 4.787 31.346 1.00 0.00 C ATOM 798 SD MET B 28 16.106 6.002 31.668 1.00 0.00 S ATOM 799 CE MET B 28 16.439 6.239 33.432 1.00 0.00 C ATOM 0 H MET B 28 17.482 2.610 29.816 1.00 0.00 H new ATOM 0 HA MET B 28 19.162 2.892 31.961 1.00 0.00 H new ATOM 0 HB2 MET B 28 16.122 3.117 31.818 1.00 0.00 H new ATOM 0 HB3 MET B 28 17.071 3.689 33.176 1.00 0.00 H new ATOM 0 HG2 MET B 28 18.376 5.184 31.658 1.00 0.00 H new ATOM 0 HG3 MET B 28 17.478 4.586 30.277 1.00 0.00 H new ATOM 0 HE1 MET B 28 16.132 7.242 33.729 1.00 0.00 H new ATOM 0 HE2 MET B 28 15.880 5.503 34.010 1.00 0.00 H new ATOM 0 HE3 MET B 28 17.505 6.115 33.621 1.00 0.00 H new ATOM 809 N LEU B 29 17.367 0.199 32.222 1.00 0.00 N ATOM 810 CA LEU B 29 17.174 -1.011 33.016 1.00 0.00 C ATOM 811 C LEU B 29 18.478 -1.790 33.134 1.00 0.00 C ATOM 812 O LEU B 29 18.677 -2.524 34.101 1.00 0.00 O ATOM 813 CB LEU B 29 16.076 -1.896 32.398 1.00 0.00 C ATOM 814 CG LEU B 29 14.685 -1.420 32.862 1.00 0.00 C ATOM 815 CD1 LEU B 29 13.604 -2.189 32.092 1.00 0.00 C ATOM 816 CD2 LEU B 29 14.511 -1.665 34.383 1.00 0.00 C ATOM 0 H LEU B 29 16.969 0.161 31.284 1.00 0.00 H new ATOM 0 HA LEU B 29 16.857 -0.714 34.016 1.00 0.00 H new ATOM 0 HB2 LEU B 29 16.137 -1.858 31.310 1.00 0.00 H new ATOM 0 HB3 LEU B 29 16.229 -2.935 32.690 1.00 0.00 H new ATOM 0 HG LEU B 29 14.591 -0.352 32.666 1.00 0.00 H new ATOM 0 HD11 LEU B 29 12.619 -1.855 32.417 1.00 0.00 H new ATOM 0 HD12 LEU B 29 13.716 -2.003 31.024 1.00 0.00 H new ATOM 0 HD13 LEU B 29 13.708 -3.256 32.287 1.00 0.00 H new ATOM 0 HD21 LEU B 29 13.524 -1.324 34.696 1.00 0.00 H new ATOM 0 HD22 LEU B 29 14.611 -2.730 34.594 1.00 0.00 H new ATOM 0 HD23 LEU B 29 15.276 -1.114 34.930 1.00 0.00 H new ATOM 828 N LYS B 30 19.360 -1.642 32.150 1.00 0.00 N ATOM 829 CA LYS B 30 20.634 -2.350 32.173 1.00 0.00 C ATOM 830 C LYS B 30 21.273 -2.271 33.559 1.00 0.00 C ATOM 831 O LYS B 30 22.195 -3.026 33.869 1.00 0.00 O ATOM 832 CB LYS B 30 21.592 -1.755 31.136 1.00 0.00 C ATOM 833 CG LYS B 30 21.146 -2.156 29.731 1.00 0.00 C ATOM 834 CD LYS B 30 22.076 -1.517 28.698 1.00 0.00 C ATOM 835 CE LYS B 30 21.651 -1.953 27.296 1.00 0.00 C ATOM 836 NZ LYS B 30 21.945 -3.404 27.124 1.00 0.00 N ATOM 0 H LYS B 30 19.218 -1.045 31.335 1.00 0.00 H new ATOM 0 HA LYS B 30 20.443 -3.395 31.931 1.00 0.00 H new ATOM 0 HB2 LYS B 30 21.611 -0.669 31.226 1.00 0.00 H new ATOM 0 HB3 LYS B 30 22.607 -2.108 31.320 1.00 0.00 H new ATOM 0 HG2 LYS B 30 21.162 -3.241 29.629 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.119 -1.835 29.559 1.00 0.00 H new ATOM 0 HD2 LYS B 30 22.038 -0.431 28.780 1.00 0.00 H new ATOM 0 HD3 LYS B 30 23.107 -1.815 28.887 1.00 0.00 H new ATOM 0 HE2 LYS B 30 20.587 -1.766 27.151 1.00 0.00 H new ATOM 0 HE3 LYS B 30 22.183 -1.370 26.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 21.968 -3.636 26.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.868 -3.624 27.550 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 21.205 -3.966 27.591 1.00 0.00 H new ATOM 850 N LYS B 31 20.772 -1.358 34.397 1.00 0.00 N ATOM 851 CA LYS B 31 21.296 -1.199 35.757 1.00 0.00 C ATOM 852 C LYS B 31 20.398 -1.921 36.760 1.00 0.00 C ATOM 853 O LYS B 31 20.405 -1.610 37.950 1.00 0.00 O ATOM 854 CB LYS B 31 21.370 0.283 36.127 1.00 0.00 C ATOM 855 CG LYS B 31 22.385 0.984 35.222 1.00 0.00 C ATOM 856 CD LYS B 31 22.673 2.391 35.756 1.00 0.00 C ATOM 857 CE LYS B 31 21.429 3.271 35.615 1.00 0.00 C ATOM 858 NZ LYS B 31 21.812 4.697 35.814 1.00 0.00 N ATOM 0 H LYS B 31 20.010 -0.722 34.160 1.00 0.00 H new ATOM 0 HA LYS B 31 22.296 -1.632 35.789 1.00 0.00 H new ATOM 0 HB2 LYS B 31 20.389 0.746 36.018 1.00 0.00 H new ATOM 0 HB3 LYS B 31 21.660 0.394 37.172 1.00 0.00 H new ATOM 0 HG2 LYS B 31 23.308 0.406 35.179 1.00 0.00 H new ATOM 0 HG3 LYS B 31 21.998 1.043 34.205 1.00 0.00 H new ATOM 0 HD2 LYS B 31 22.973 2.337 36.802 1.00 0.00 H new ATOM 0 HD3 LYS B 31 23.505 2.833 35.208 1.00 0.00 H new ATOM 0 HE2 LYS B 31 20.983 3.136 34.630 1.00 0.00 H new ATOM 0 HE3 LYS B 31 20.677 2.978 36.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 20.969 5.299 35.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 22.219 4.818 36.763 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 22.515 4.971 35.099 1.00 0.00 H new ATOM 872 N LYS B 32 19.635 -2.891 36.268 1.00 0.00 N ATOM 873 CA LYS B 32 18.740 -3.660 37.126 1.00 0.00 C ATOM 874 C LYS B 32 17.785 -2.734 37.872 1.00 0.00 C ATOM 875 O LYS B 32 16.588 -2.873 37.682 1.00 0.00 O ATOM 876 CB LYS B 32 19.555 -4.476 38.133 1.00 0.00 C ATOM 877 CG LYS B 32 18.617 -5.368 38.949 1.00 0.00 C ATOM 878 CD LYS B 32 19.439 -6.248 39.894 1.00 0.00 C ATOM 879 CE LYS B 32 18.503 -7.161 40.687 1.00 0.00 C ATOM 880 NZ LYS B 32 17.677 -6.340 41.616 1.00 0.00 N ATOM 0 H LYS B 32 19.618 -3.163 35.285 1.00 0.00 H new ATOM 0 HA LYS B 32 18.157 -4.335 36.499 1.00 0.00 H new ATOM 0 HB2 LYS B 32 20.291 -5.087 37.611 1.00 0.00 H new ATOM 0 HB3 LYS B 32 20.107 -3.809 38.795 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.921 -4.754 39.521 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.020 -5.991 38.283 1.00 0.00 H new ATOM 0 HD2 LYS B 32 20.150 -6.846 39.324 1.00 0.00 H new ATOM 0 HD3 LYS B 32 20.019 -5.625 40.575 1.00 0.00 H new ATOM 0 HE2 LYS B 32 17.859 -7.718 40.007 1.00 0.00 H new ATOM 0 HE3 LYS B 32 19.082 -7.893 41.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 17.260 -6.954 42.345 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 18.276 -5.621 42.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 16.917 -5.871 41.083 1.00 0.00 H new