USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 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 -35:sc= 0.969 USER MOD Set 1.2: B 21 MET CE :methyl -160:sc= -0.011 (180deg=-0.15) USER MOD Set 2.1: A 20 THR OG1 : rot -29:sc= 0.995 USER MOD Set 2.2: A 21 MET CE :methyl -160:sc= -0.0148 (180deg=-0.144) USER MOD Single : A 12 MET CE :methyl -146:sc= -0.184 (180deg=-1.06) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 133:sc= -0.113 (180deg=-0.976) USER MOD Single : A 30 LYS NZ :NH3+ -136:sc= -1.97! (180deg=-4.52!) USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= -0.277 (180deg=-1.35!) USER MOD Single : A 32 LYS NZ :NH3+ -153:sc= -0.165 (180deg=-0.945) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -146:sc= -0.169 (180deg=-1.04) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 155:sc= -0.17 (180deg=-0.979) USER MOD Single : B 30 LYS NZ :NH3+ -137:sc= -2.03! (180deg=-4.54!) USER MOD Single : B 31 LYS NZ :NH3+ 141:sc= -0.245 (180deg=-1.51!) USER MOD Single : B 32 LYS NZ :NH3+ -151:sc= -0.198 (180deg=-0.94) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 7 5.201 -6.089 1.169 1.00 0.00 N ATOM 30 CA ALA A 7 6.499 -5.467 1.406 1.00 0.00 C ATOM 31 C ALA A 7 6.396 -4.398 2.491 1.00 0.00 C ATOM 32 O ALA A 7 7.393 -4.046 3.120 1.00 0.00 O ATOM 33 CB ALA A 7 7.019 -4.838 0.112 1.00 0.00 C ATOM 0 HA ALA A 7 7.193 -6.238 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.989 -4.375 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.124 -5.609 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.315 -4.080 -0.233 1.00 0.00 H new ATOM 39 N ILE A 8 5.190 -3.880 2.698 1.00 0.00 N ATOM 40 CA ILE A 8 4.978 -2.842 3.703 1.00 0.00 C ATOM 41 C ILE A 8 5.315 -3.374 5.090 1.00 0.00 C ATOM 42 O ILE A 8 5.959 -2.688 5.887 1.00 0.00 O ATOM 43 CB ILE A 8 3.516 -2.386 3.680 1.00 0.00 C ATOM 44 CG1 ILE A 8 3.224 -1.680 2.353 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.257 -1.407 4.836 1.00 0.00 C ATOM 46 CD1 ILE A 8 1.709 -1.545 2.170 1.00 0.00 C ATOM 0 H ILE A 8 4.351 -4.158 2.189 1.00 0.00 H new ATOM 0 HA ILE A 8 5.629 -1.998 3.474 1.00 0.00 H new ATOM 0 HB ILE A 8 2.869 -3.256 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.692 -0.696 2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.652 -2.246 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.216 -1.086 4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.465 -1.901 5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.907 -0.538 4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.500 -1.042 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.254 -2.535 2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.294 -0.961 2.991 1.00 0.00 H new ATOM 58 N ILE A 9 4.867 -4.589 5.385 1.00 0.00 N ATOM 59 CA ILE A 9 5.124 -5.176 6.691 1.00 0.00 C ATOM 60 C ILE A 9 6.639 -5.277 6.913 1.00 0.00 C ATOM 61 O ILE A 9 7.131 -5.103 8.023 1.00 0.00 O ATOM 62 CB ILE A 9 4.440 -6.563 6.792 1.00 0.00 C ATOM 63 CG1 ILE A 9 4.056 -6.869 8.254 1.00 0.00 C ATOM 64 CG2 ILE A 9 5.374 -7.670 6.291 1.00 0.00 C ATOM 65 CD1 ILE A 9 2.966 -5.901 8.750 1.00 0.00 C ATOM 0 H ILE A 9 4.332 -5.178 4.747 1.00 0.00 H new ATOM 0 HA ILE A 9 4.704 -4.543 7.473 1.00 0.00 H new ATOM 0 HB ILE A 9 3.545 -6.534 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.699 -7.896 8.333 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.937 -6.788 8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.872 -8.634 6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.634 -7.483 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.281 -7.682 6.895 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.712 -6.137 9.783 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.335 -4.877 8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.078 -6.003 8.126 1.00 0.00 H new ATOM 77 N GLY A 10 7.357 -5.561 5.832 1.00 0.00 N ATOM 78 CA GLY A 10 8.816 -5.692 5.888 1.00 0.00 C ATOM 79 C GLY A 10 9.475 -4.435 6.466 1.00 0.00 C ATOM 80 O GLY A 10 10.036 -4.467 7.560 1.00 0.00 O ATOM 0 H GLY A 10 6.957 -5.706 4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.081 -6.555 6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.204 -5.879 4.886 1.00 0.00 H new ATOM 84 N LEU A 11 9.426 -3.341 5.709 1.00 0.00 N ATOM 85 CA LEU A 11 10.039 -2.088 6.135 1.00 0.00 C ATOM 86 C LEU A 11 9.415 -1.586 7.434 1.00 0.00 C ATOM 87 O LEU A 11 10.058 -0.894 8.211 1.00 0.00 O ATOM 88 CB LEU A 11 9.881 -1.040 5.028 1.00 0.00 C ATOM 89 CG LEU A 11 10.452 0.308 5.478 1.00 0.00 C ATOM 90 CD1 LEU A 11 11.920 0.155 5.905 1.00 0.00 C ATOM 91 CD2 LEU A 11 10.359 1.296 4.314 1.00 0.00 C ATOM 0 H LEU A 11 8.968 -3.298 4.799 1.00 0.00 H new ATOM 0 HA LEU A 11 11.099 -2.263 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.393 -1.375 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.827 -0.928 4.773 1.00 0.00 H new ATOM 0 HG LEU A 11 9.880 0.674 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.310 1.123 6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.987 -0.551 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.507 -0.215 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.763 2.260 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.932 0.916 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.316 1.416 4.021 1.00 0.00 H new ATOM 103 N MET A 12 8.158 -1.931 7.655 1.00 0.00 N ATOM 104 CA MET A 12 7.456 -1.522 8.847 1.00 0.00 C ATOM 105 C MET A 12 8.114 -2.125 10.092 1.00 0.00 C ATOM 106 O MET A 12 8.623 -1.406 10.951 1.00 0.00 O ATOM 107 CB MET A 12 6.027 -2.015 8.682 1.00 0.00 C ATOM 108 CG MET A 12 5.208 -1.832 9.946 1.00 0.00 C ATOM 109 SD MET A 12 5.012 -0.068 10.320 1.00 0.00 S ATOM 110 CE MET A 12 5.824 -0.037 11.941 1.00 0.00 C ATOM 0 H MET A 12 7.603 -2.499 7.014 1.00 0.00 H new ATOM 0 HA MET A 12 7.481 -0.440 8.979 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.551 -1.477 7.862 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.038 -3.070 8.408 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.229 -2.296 9.823 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.697 -2.335 10.780 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.331 0.695 12.581 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.757 -1.023 12.400 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.872 0.236 11.818 1.00 0.00 H new ATOM 120 N VAL A 13 8.091 -3.451 10.181 1.00 0.00 N ATOM 121 CA VAL A 13 8.668 -4.152 11.326 1.00 0.00 C ATOM 122 C VAL A 13 10.187 -4.026 11.379 1.00 0.00 C ATOM 123 O VAL A 13 10.786 -4.213 12.437 1.00 0.00 O ATOM 124 CB VAL A 13 8.274 -5.627 11.297 1.00 0.00 C ATOM 125 CG1 VAL A 13 6.754 -5.731 11.146 1.00 0.00 C ATOM 126 CG2 VAL A 13 8.971 -6.337 10.127 1.00 0.00 C ATOM 0 H VAL A 13 7.680 -4.062 9.476 1.00 0.00 H new ATOM 0 HA VAL A 13 8.267 -3.680 12.223 1.00 0.00 H new ATOM 0 HB VAL A 13 8.584 -6.108 12.225 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.462 -6.781 11.124 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.270 -5.237 11.988 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.447 -5.249 10.218 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.683 -7.388 10.116 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.674 -5.869 9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.052 -6.258 10.245 1.00 0.00 H new ATOM 136 N GLY A 14 10.816 -3.710 10.253 1.00 0.00 N ATOM 137 CA GLY A 14 12.271 -3.566 10.225 1.00 0.00 C ATOM 138 C GLY A 14 12.691 -2.145 10.607 1.00 0.00 C ATOM 139 O GLY A 14 13.675 -1.957 11.319 1.00 0.00 O ATOM 0 H GLY A 14 10.352 -3.550 9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.724 -4.280 10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.644 -3.803 9.229 1.00 0.00 H new ATOM 143 N GLY A 15 11.941 -1.152 10.129 1.00 0.00 N ATOM 144 CA GLY A 15 12.263 0.234 10.429 1.00 0.00 C ATOM 145 C GLY A 15 12.381 0.411 11.929 1.00 0.00 C ATOM 146 O GLY A 15 13.365 0.955 12.431 1.00 0.00 O ATOM 0 H GLY A 15 11.118 -1.283 9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.198 0.515 9.944 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.489 0.892 10.034 1.00 0.00 H new ATOM 150 N VAL A 16 11.354 -0.032 12.640 1.00 0.00 N ATOM 151 CA VAL A 16 11.334 0.101 14.084 1.00 0.00 C ATOM 152 C VAL A 16 12.681 -0.293 14.681 1.00 0.00 C ATOM 153 O VAL A 16 13.238 0.443 15.491 1.00 0.00 O ATOM 154 CB VAL A 16 10.204 -0.752 14.680 1.00 0.00 C ATOM 155 CG1 VAL A 16 8.859 -0.047 14.475 1.00 0.00 C ATOM 156 CG2 VAL A 16 10.160 -2.114 13.985 1.00 0.00 C ATOM 0 H VAL A 16 10.531 -0.483 12.241 1.00 0.00 H new ATOM 0 HA VAL A 16 11.148 1.146 14.334 1.00 0.00 H new ATOM 0 HB VAL A 16 10.390 -0.888 15.745 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.061 -0.656 14.899 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.878 0.924 14.971 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.681 0.093 13.409 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.357 -2.715 14.412 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.981 -1.973 12.919 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.111 -2.626 14.128 1.00 0.00 H new ATOM 166 N VAL A 17 13.201 -1.440 14.282 1.00 0.00 N ATOM 167 CA VAL A 17 14.482 -1.899 14.803 1.00 0.00 C ATOM 168 C VAL A 17 15.587 -0.885 14.512 1.00 0.00 C ATOM 169 O VAL A 17 16.408 -0.583 15.377 1.00 0.00 O ATOM 170 CB VAL A 17 14.858 -3.227 14.159 1.00 0.00 C ATOM 171 CG1 VAL A 17 16.206 -3.687 14.715 1.00 0.00 C ATOM 172 CG2 VAL A 17 13.785 -4.276 14.461 1.00 0.00 C ATOM 0 H VAL A 17 12.764 -2.067 13.606 1.00 0.00 H new ATOM 0 HA VAL A 17 14.381 -2.018 15.882 1.00 0.00 H new ATOM 0 HB VAL A 17 14.931 -3.102 13.079 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.482 -4.638 14.259 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.967 -2.941 14.488 1.00 0.00 H new ATOM 0 HG13 VAL A 17 16.131 -3.811 15.795 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.061 -5.223 13.997 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.701 -4.411 15.539 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.827 -3.942 14.062 1.00 0.00 H new ATOM 182 N ILE A 18 15.594 -0.361 13.293 1.00 0.00 N ATOM 183 CA ILE A 18 16.611 0.620 12.917 1.00 0.00 C ATOM 184 C ILE A 18 16.503 1.836 13.834 1.00 0.00 C ATOM 185 O ILE A 18 17.497 2.306 14.386 1.00 0.00 O ATOM 186 CB ILE A 18 16.440 1.061 11.458 1.00 0.00 C ATOM 187 CG1 ILE A 18 16.437 -0.163 10.528 1.00 0.00 C ATOM 188 CG2 ILE A 18 17.588 1.995 11.065 1.00 0.00 C ATOM 189 CD1 ILE A 18 17.675 -1.036 10.771 1.00 0.00 C ATOM 0 H ILE A 18 14.923 -0.591 12.559 1.00 0.00 H new ATOM 0 HA ILE A 18 17.593 0.158 13.022 1.00 0.00 H new ATOM 0 HB ILE A 18 15.489 1.585 11.359 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.534 -0.750 10.695 1.00 0.00 H new ATOM 0 HG13 ILE A 18 16.416 0.165 9.489 1.00 0.00 H new ATOM 0 HG21 ILE A 18 17.464 2.307 10.028 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.581 2.873 11.711 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.537 1.471 11.176 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.651 -1.896 10.102 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.575 -0.452 10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.680 -1.381 11.805 1.00 0.00 H new ATOM 201 N ALA A 19 15.287 2.346 13.973 1.00 0.00 N ATOM 202 CA ALA A 19 15.043 3.522 14.809 1.00 0.00 C ATOM 203 C ALA A 19 15.506 3.283 16.247 1.00 0.00 C ATOM 204 O ALA A 19 16.013 4.193 16.904 1.00 0.00 O ATOM 205 CB ALA A 19 13.553 3.866 14.797 1.00 0.00 C ATOM 0 H ALA A 19 14.454 1.968 13.521 1.00 0.00 H new ATOM 0 HA ALA A 19 15.615 4.355 14.400 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.377 4.742 15.421 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.237 4.078 13.776 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.982 3.023 15.186 1.00 0.00 H new ATOM 211 N THR A 20 15.338 2.055 16.725 1.00 0.00 N ATOM 212 CA THR A 20 15.748 1.694 18.085 1.00 0.00 C ATOM 213 C THR A 20 17.254 1.588 18.186 1.00 0.00 C ATOM 214 O THR A 20 17.814 1.633 19.282 1.00 0.00 O ATOM 215 CB THR A 20 15.160 0.331 18.479 1.00 0.00 C ATOM 216 OG1 THR A 20 15.812 -0.680 17.724 1.00 0.00 O ATOM 217 CG2 THR A 20 13.647 0.261 18.201 1.00 0.00 C ATOM 0 H THR A 20 14.921 1.290 16.194 1.00 0.00 H new ATOM 0 HA THR A 20 15.382 2.476 18.750 1.00 0.00 H new ATOM 0 HB THR A 20 15.315 0.187 19.548 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.099 -0.311 16.863 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.268 -0.719 18.493 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.135 1.034 18.775 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.465 0.418 17.138 1.00 0.00 H new ATOM 225 N MET A 21 17.920 1.448 17.049 1.00 0.00 N ATOM 226 CA MET A 21 19.368 1.346 17.047 1.00 0.00 C ATOM 227 C MET A 21 19.991 2.735 17.072 1.00 0.00 C ATOM 228 O MET A 21 21.067 2.926 17.640 1.00 0.00 O ATOM 229 CB MET A 21 19.844 0.566 15.818 1.00 0.00 C ATOM 230 CG MET A 21 19.575 -0.938 16.010 1.00 0.00 C ATOM 231 SD MET A 21 20.562 -1.586 17.394 1.00 0.00 S ATOM 232 CE MET A 21 19.205 -1.911 18.558 1.00 0.00 C ATOM 0 H MET A 21 17.485 1.403 16.127 1.00 0.00 H new ATOM 0 HA MET A 21 19.684 0.807 17.940 1.00 0.00 H new ATOM 0 HB2 MET A 21 19.328 0.925 14.927 1.00 0.00 H new ATOM 0 HB3 MET A 21 20.909 0.736 15.660 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.515 -1.103 16.202 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.821 -1.478 15.095 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.602 -1.973 19.571 1.00 0.00 H new ATOM 0 HE2 MET A 21 18.476 -1.102 18.502 1.00 0.00 H new ATOM 0 HE3 MET A 21 18.722 -2.853 18.299 1.00 0.00 H new ATOM 242 N ILE A 22 19.317 3.712 16.460 1.00 0.00 N ATOM 243 CA ILE A 22 19.840 5.072 16.434 1.00 0.00 C ATOM 244 C ILE A 22 19.926 5.639 17.853 1.00 0.00 C ATOM 245 O ILE A 22 20.941 6.213 18.232 1.00 0.00 O ATOM 246 CB ILE A 22 18.927 5.963 15.579 1.00 0.00 C ATOM 247 CG1 ILE A 22 18.996 5.513 14.115 1.00 0.00 C ATOM 248 CG2 ILE A 22 19.390 7.420 15.680 1.00 0.00 C ATOM 249 CD1 ILE A 22 17.905 6.219 13.299 1.00 0.00 C ATOM 0 H ILE A 22 18.423 3.587 15.985 1.00 0.00 H new ATOM 0 HA ILE A 22 20.840 5.053 16.001 1.00 0.00 H new ATOM 0 HB ILE A 22 17.902 5.879 15.941 1.00 0.00 H new ATOM 0 HG12 ILE A 22 19.978 5.743 13.701 1.00 0.00 H new ATOM 0 HG13 ILE A 22 18.868 4.432 14.051 1.00 0.00 H new ATOM 0 HG21 ILE A 22 18.741 8.051 15.073 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.343 7.745 16.719 1.00 0.00 H new ATOM 0 HG23 ILE A 22 20.416 7.502 15.320 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.960 5.894 12.260 1.00 0.00 H new ATOM 0 HD12 ILE A 22 16.926 5.967 13.706 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.053 7.298 13.350 1.00 0.00 H new ATOM 261 N VAL A 23 18.849 5.487 18.628 1.00 0.00 N ATOM 262 CA VAL A 23 18.825 6.010 19.997 1.00 0.00 C ATOM 263 C VAL A 23 19.872 5.320 20.848 1.00 0.00 C ATOM 264 O VAL A 23 20.492 5.932 21.713 1.00 0.00 O ATOM 265 CB VAL A 23 17.447 5.804 20.636 1.00 0.00 C ATOM 266 CG1 VAL A 23 16.375 6.597 19.867 1.00 0.00 C ATOM 267 CG2 VAL A 23 17.100 4.312 20.633 1.00 0.00 C ATOM 0 H VAL A 23 17.994 5.013 18.337 1.00 0.00 H new ATOM 0 HA VAL A 23 19.041 7.077 19.947 1.00 0.00 H new ATOM 0 HB VAL A 23 17.474 6.167 21.663 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.402 6.440 20.333 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.621 7.659 19.890 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.341 6.255 18.833 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.120 4.165 21.087 1.00 0.00 H new ATOM 0 HG22 VAL A 23 17.083 3.945 19.607 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.850 3.763 21.203 1.00 0.00 H new ATOM 277 N ILE A 24 20.087 4.048 20.582 1.00 0.00 N ATOM 278 CA ILE A 24 21.088 3.293 21.321 1.00 0.00 C ATOM 279 C ILE A 24 22.378 4.131 21.409 1.00 0.00 C ATOM 280 O ILE A 24 23.201 3.931 22.305 1.00 0.00 O ATOM 281 CB ILE A 24 21.307 1.922 20.613 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.888 0.765 21.541 1.00 0.00 C ATOM 283 CG2 ILE A 24 22.769 1.715 20.195 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.406 0.903 21.946 1.00 0.00 C ATOM 0 H ILE A 24 19.590 3.516 19.868 1.00 0.00 H new ATOM 0 HA ILE A 24 20.761 3.087 22.340 1.00 0.00 H new ATOM 0 HB ILE A 24 20.688 1.929 19.716 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.045 -0.188 21.036 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.515 0.761 22.432 1.00 0.00 H new ATOM 0 HG21 ILE A 24 22.874 0.747 19.706 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.065 2.504 19.504 1.00 0.00 H new ATOM 0 HG23 ILE A 24 23.408 1.747 21.078 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.129 0.077 22.601 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.259 1.847 22.471 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.781 0.883 21.053 1.00 0.00 H new ATOM 296 N THR A 25 22.523 5.083 20.477 1.00 0.00 N ATOM 297 CA THR A 25 23.694 5.967 20.463 1.00 0.00 C ATOM 298 C THR A 25 23.544 7.085 21.502 1.00 0.00 C ATOM 299 O THR A 25 24.492 7.419 22.206 1.00 0.00 O ATOM 300 CB THR A 25 23.929 6.544 19.048 1.00 0.00 C ATOM 301 OG1 THR A 25 25.328 6.694 18.841 1.00 0.00 O ATOM 302 CG2 THR A 25 23.250 7.911 18.872 1.00 0.00 C ATOM 0 H THR A 25 21.851 5.259 19.730 1.00 0.00 H new ATOM 0 HA THR A 25 24.571 5.378 20.732 1.00 0.00 H new ATOM 0 HB THR A 25 23.497 5.855 18.322 1.00 0.00 H new ATOM 0 HG1 THR A 25 25.489 7.058 17.945 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.438 8.284 17.865 1.00 0.00 H new ATOM 0 HG22 THR A 25 22.176 7.806 19.026 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.654 8.614 19.600 1.00 0.00 H new ATOM 310 N LEU A 26 22.352 7.661 21.597 1.00 0.00 N ATOM 311 CA LEU A 26 22.075 8.734 22.545 1.00 0.00 C ATOM 312 C LEU A 26 22.515 8.327 23.956 1.00 0.00 C ATOM 313 O LEU A 26 22.969 9.151 24.746 1.00 0.00 O ATOM 314 CB LEU A 26 20.557 8.999 22.443 1.00 0.00 C ATOM 315 CG LEU A 26 20.001 9.883 23.568 1.00 0.00 C ATOM 316 CD1 LEU A 26 19.937 9.119 24.907 1.00 0.00 C ATOM 317 CD2 LEU A 26 20.831 11.171 23.696 1.00 0.00 C ATOM 0 H LEU A 26 21.552 7.399 21.021 1.00 0.00 H new ATOM 0 HA LEU A 26 22.630 9.645 22.321 1.00 0.00 H new ATOM 0 HB2 LEU A 26 20.345 9.472 21.484 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.031 8.045 22.451 1.00 0.00 H new ATOM 0 HG LEU A 26 18.979 10.160 23.309 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.539 9.775 25.681 1.00 0.00 H new ATOM 0 HD12 LEU A 26 19.289 8.249 24.799 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.938 8.792 25.188 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.425 11.788 24.498 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.866 10.916 23.924 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.792 11.724 22.758 1.00 0.00 H new ATOM 329 N VAL A 27 22.437 7.041 24.234 1.00 0.00 N ATOM 330 CA VAL A 27 22.875 6.513 25.526 1.00 0.00 C ATOM 331 C VAL A 27 24.386 6.722 25.679 1.00 0.00 C ATOM 332 O VAL A 27 24.887 6.993 26.772 1.00 0.00 O ATOM 333 CB VAL A 27 22.529 5.025 25.625 1.00 0.00 C ATOM 334 CG1 VAL A 27 22.734 4.530 27.061 1.00 0.00 C ATOM 335 CG2 VAL A 27 21.067 4.815 25.223 1.00 0.00 C ATOM 0 H VAL A 27 22.076 6.338 23.589 1.00 0.00 H new ATOM 0 HA VAL A 27 22.361 7.043 26.328 1.00 0.00 H new ATOM 0 HB VAL A 27 23.182 4.464 24.956 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.485 3.470 27.120 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.775 4.675 27.351 1.00 0.00 H new ATOM 0 HG13 VAL A 27 22.088 5.092 27.735 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.819 3.756 25.293 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.421 5.384 25.891 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.919 5.155 24.198 1.00 0.00 H new ATOM 345 N MET A 28 25.093 6.595 24.560 1.00 0.00 N ATOM 346 CA MET A 28 26.545 6.772 24.545 1.00 0.00 C ATOM 347 C MET A 28 26.911 8.247 24.721 1.00 0.00 C ATOM 348 O MET A 28 27.974 8.570 25.253 1.00 0.00 O ATOM 349 CB MET A 28 27.150 6.242 23.239 1.00 0.00 C ATOM 350 CG MET A 28 26.982 4.724 23.185 1.00 0.00 C ATOM 351 SD MET A 28 27.603 4.102 21.601 1.00 0.00 S ATOM 352 CE MET A 28 29.360 4.444 21.882 1.00 0.00 C ATOM 0 H MET A 28 24.686 6.370 23.652 1.00 0.00 H new ATOM 0 HA MET A 28 26.957 6.201 25.378 1.00 0.00 H new ATOM 0 HB2 MET A 28 26.659 6.705 22.383 1.00 0.00 H new ATOM 0 HB3 MET A 28 28.206 6.505 23.181 1.00 0.00 H new ATOM 0 HG2 MET A 28 27.524 4.258 24.008 1.00 0.00 H new ATOM 0 HG3 MET A 28 25.931 4.459 23.305 1.00 0.00 H new ATOM 0 HE1 MET A 28 29.949 3.569 21.607 1.00 0.00 H new ATOM 0 HE2 MET A 28 29.667 5.294 21.273 1.00 0.00 H new ATOM 0 HE3 MET A 28 29.522 4.674 22.935 1.00 0.00 H new ATOM 362 N LEU A 29 26.031 9.137 24.261 1.00 0.00 N ATOM 363 CA LEU A 29 26.283 10.575 24.367 1.00 0.00 C ATOM 364 C LEU A 29 26.001 11.083 25.778 1.00 0.00 C ATOM 365 O LEU A 29 26.327 12.225 26.107 1.00 0.00 O ATOM 366 CB LEU A 29 25.404 11.340 23.373 1.00 0.00 C ATOM 367 CG LEU A 29 25.761 10.939 21.935 1.00 0.00 C ATOM 368 CD1 LEU A 29 24.779 11.612 20.969 1.00 0.00 C ATOM 369 CD2 LEU A 29 27.201 11.376 21.599 1.00 0.00 C ATOM 0 H LEU A 29 25.147 8.892 23.816 1.00 0.00 H new ATOM 0 HA LEU A 29 27.335 10.745 24.137 1.00 0.00 H new ATOM 0 HB2 LEU A 29 24.353 11.128 23.567 1.00 0.00 H new ATOM 0 HB3 LEU A 29 25.542 12.413 23.504 1.00 0.00 H new ATOM 0 HG LEU A 29 25.694 9.855 21.837 1.00 0.00 H new ATOM 0 HD11 LEU A 29 25.026 11.332 19.945 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.764 11.289 21.199 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.848 12.695 21.076 1.00 0.00 H new ATOM 0 HD21 LEU A 29 27.440 11.085 20.576 1.00 0.00 H new ATOM 0 HD22 LEU A 29 27.285 12.458 21.697 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.897 10.894 22.286 1.00 0.00 H new ATOM 381 N LYS A 30 25.402 10.238 26.611 1.00 0.00 N ATOM 382 CA LYS A 30 25.098 10.634 27.982 1.00 0.00 C ATOM 383 C LYS A 30 26.380 10.951 28.750 1.00 0.00 C ATOM 384 O LYS A 30 26.407 11.867 29.573 1.00 0.00 O ATOM 385 CB LYS A 30 24.325 9.531 28.713 1.00 0.00 C ATOM 386 CG LYS A 30 22.894 9.453 28.173 1.00 0.00 C ATOM 387 CD LYS A 30 22.118 8.385 28.949 1.00 0.00 C ATOM 388 CE LYS A 30 20.659 8.366 28.486 1.00 0.00 C ATOM 389 NZ LYS A 30 19.893 7.375 29.293 1.00 0.00 N ATOM 0 H LYS A 30 25.121 9.289 26.366 1.00 0.00 H new ATOM 0 HA LYS A 30 24.478 11.529 27.936 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.827 8.573 28.578 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.309 9.735 29.784 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.402 10.421 28.273 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.907 9.210 27.111 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.572 7.406 28.792 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.167 8.591 30.018 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.219 9.357 28.595 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.606 8.108 27.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.280 6.816 28.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.555 6.742 29.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.308 7.875 29.993 1.00 0.00 H new ATOM 403 N LYS A 31 27.443 10.195 28.475 1.00 0.00 N ATOM 404 CA LYS A 31 28.727 10.410 29.145 1.00 0.00 C ATOM 405 C LYS A 31 29.580 11.413 28.368 1.00 0.00 C ATOM 406 O LYS A 31 30.795 11.482 28.555 1.00 0.00 O ATOM 407 CB LYS A 31 29.480 9.071 29.262 1.00 0.00 C ATOM 408 CG LYS A 31 30.491 9.128 30.420 1.00 0.00 C ATOM 409 CD LYS A 31 31.133 7.746 30.629 1.00 0.00 C ATOM 410 CE LYS A 31 32.265 7.527 29.616 1.00 0.00 C ATOM 411 NZ LYS A 31 33.257 8.635 29.721 1.00 0.00 N ATOM 0 H LYS A 31 27.442 9.433 27.797 1.00 0.00 H new ATOM 0 HA LYS A 31 28.537 10.812 30.140 1.00 0.00 H new ATOM 0 HB2 LYS A 31 28.771 8.260 29.429 1.00 0.00 H new ATOM 0 HB3 LYS A 31 29.998 8.854 28.328 1.00 0.00 H new ATOM 0 HG2 LYS A 31 31.262 9.867 30.204 1.00 0.00 H new ATOM 0 HG3 LYS A 31 29.991 9.447 31.334 1.00 0.00 H new ATOM 0 HD2 LYS A 31 31.524 7.668 31.644 1.00 0.00 H new ATOM 0 HD3 LYS A 31 30.379 6.966 30.517 1.00 0.00 H new ATOM 0 HE2 LYS A 31 32.753 6.571 29.803 1.00 0.00 H new ATOM 0 HE3 LYS A 31 31.858 7.485 28.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 34.216 8.257 29.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 33.056 9.351 28.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 33.192 9.071 30.663 1.00 0.00 H new ATOM 425 N LYS A 32 28.938 12.190 27.499 1.00 0.00 N ATOM 426 CA LYS A 32 29.658 13.183 26.706 1.00 0.00 C ATOM 427 C LYS A 32 30.157 14.314 27.602 1.00 0.00 C ATOM 428 O LYS A 32 30.215 14.109 28.803 1.00 0.00 O ATOM 429 CB LYS A 32 28.740 13.743 25.610 1.00 0.00 C ATOM 430 CG LYS A 32 29.453 14.843 24.803 1.00 0.00 C ATOM 431 CD LYS A 32 30.713 14.281 24.133 1.00 0.00 C ATOM 432 CE LYS A 32 31.151 15.204 22.992 1.00 0.00 C ATOM 433 NZ LYS A 32 30.107 15.209 21.928 1.00 0.00 N ATOM 0 H LYS A 32 27.933 12.153 27.327 1.00 0.00 H new ATOM 0 HA LYS A 32 30.518 12.704 26.238 1.00 0.00 H new ATOM 0 HB2 LYS A 32 28.432 12.938 24.942 1.00 0.00 H new ATOM 0 HB3 LYS A 32 27.834 14.147 26.061 1.00 0.00 H new ATOM 0 HG2 LYS A 32 28.778 15.243 24.046 1.00 0.00 H new ATOM 0 HG3 LYS A 32 29.721 15.670 25.461 1.00 0.00 H new ATOM 0 HD2 LYS A 32 31.515 14.188 24.866 1.00 0.00 H new ATOM 0 HD3 LYS A 32 30.516 13.281 23.748 1.00 0.00 H new ATOM 0 HE2 LYS A 32 31.307 16.215 23.368 1.00 0.00 H new ATOM 0 HE3 LYS A 32 32.102 14.866 22.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 30.547 15.425 21.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 29.653 14.274 21.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 29.392 15.931 22.147 1.00 0.00 H new ATOM 448 N LYS B 5 -4.100 4.078 1.592 1.00 0.00 N ATOM 449 CA LYS B 5 -2.699 3.576 1.665 1.00 0.00 C ATOM 450 C LYS B 5 -1.837 4.614 2.377 1.00 0.00 C ATOM 451 O LYS B 5 -0.753 4.303 2.869 1.00 0.00 O ATOM 452 CB LYS B 5 -2.167 3.347 0.247 1.00 0.00 C ATOM 453 CG LYS B 5 -3.118 2.437 -0.543 1.00 0.00 C ATOM 454 CD LYS B 5 -3.171 1.039 0.083 1.00 0.00 C ATOM 455 CE LYS B 5 -3.825 0.067 -0.903 1.00 0.00 C ATOM 456 NZ LYS B 5 -3.805 -1.310 -0.334 1.00 0.00 N ATOM 0 HA LYS B 5 -2.669 2.636 2.215 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -2.059 4.303 -0.266 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -1.176 2.895 0.292 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.117 2.872 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -2.785 2.365 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -2.165 0.701 0.331 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -3.737 1.066 1.014 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.851 0.373 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.294 0.086 -1.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -4.249 -1.969 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.821 -1.601 -0.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -4.330 -1.322 0.563 1.00 0.00 H new ATOM 469 N GLY B 6 -2.330 5.847 2.431 1.00 0.00 N ATOM 470 CA GLY B 6 -1.601 6.926 3.087 1.00 0.00 C ATOM 471 C GLY B 6 -1.443 6.642 4.576 1.00 0.00 C ATOM 472 O GLY B 6 -0.441 7.009 5.187 1.00 0.00 O ATOM 0 H GLY B 6 -3.227 6.123 2.031 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -0.619 7.040 2.627 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -2.131 7.868 2.946 1.00 0.00 H new ATOM 476 N ALA B 7 -2.442 5.987 5.154 1.00 0.00 N ATOM 477 CA ALA B 7 -2.415 5.657 6.575 1.00 0.00 C ATOM 478 C ALA B 7 -1.171 4.839 6.915 1.00 0.00 C ATOM 479 O ALA B 7 -0.742 4.798 8.069 1.00 0.00 O ATOM 480 CB ALA B 7 -3.669 4.866 6.951 1.00 0.00 C ATOM 0 H ALA B 7 -3.279 5.674 4.663 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.388 6.587 7.143 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -3.641 4.623 8.013 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -4.554 5.465 6.739 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -3.706 3.945 6.369 1.00 0.00 H new ATOM 486 N ILE B 8 -0.604 4.180 5.909 1.00 0.00 N ATOM 487 CA ILE B 8 0.582 3.356 6.123 1.00 0.00 C ATOM 488 C ILE B 8 1.742 4.217 6.608 1.00 0.00 C ATOM 489 O ILE B 8 2.470 3.832 7.525 1.00 0.00 O ATOM 490 CB ILE B 8 0.980 2.667 4.814 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.103 1.660 4.420 1.00 0.00 C ATOM 492 CG2 ILE B 8 2.312 1.923 4.999 1.00 0.00 C ATOM 493 CD1 ILE B 8 0.101 1.234 2.964 1.00 0.00 C ATOM 0 H ILE B 8 -0.942 4.199 4.947 1.00 0.00 H new ATOM 0 HA ILE B 8 0.351 2.604 6.878 1.00 0.00 H new ATOM 0 HB ILE B 8 1.090 3.420 4.034 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.060 0.789 5.074 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -1.090 2.104 4.545 1.00 0.00 H new ATOM 0 HG21 ILE B 8 2.589 1.435 4.064 1.00 0.00 H new ATOM 0 HG22 ILE B 8 3.089 2.633 5.282 1.00 0.00 H new ATOM 0 HG23 ILE B 8 2.204 1.172 5.782 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.670 0.517 2.683 1.00 0.00 H new ATOM 0 HD12 ILE B 8 0.036 2.108 2.317 1.00 0.00 H new ATOM 0 HD13 ILE B 8 1.083 0.773 2.854 1.00 0.00 H new ATOM 505 N ILE B 9 1.924 5.374 5.982 1.00 0.00 N ATOM 506 CA ILE B 9 3.015 6.257 6.362 1.00 0.00 C ATOM 507 C ILE B 9 2.857 6.655 7.836 1.00 0.00 C ATOM 508 O ILE B 9 3.834 6.805 8.562 1.00 0.00 O ATOM 509 CB ILE B 9 3.038 7.500 5.436 1.00 0.00 C ATOM 510 CG1 ILE B 9 4.476 8.038 5.291 1.00 0.00 C ATOM 511 CG2 ILE B 9 2.153 8.617 5.999 1.00 0.00 C ATOM 512 CD1 ILE B 9 5.370 7.026 4.550 1.00 0.00 C ATOM 0 H ILE B 9 1.339 5.717 5.220 1.00 0.00 H new ATOM 0 HA ILE B 9 3.968 5.741 6.246 1.00 0.00 H new ATOM 0 HB ILE B 9 2.658 7.191 4.462 1.00 0.00 H new ATOM 0 HG12 ILE B 9 4.462 8.983 4.748 1.00 0.00 H new ATOM 0 HG13 ILE B 9 4.893 8.244 6.277 1.00 0.00 H new ATOM 0 HG21 ILE B 9 2.186 9.478 5.332 1.00 0.00 H new ATOM 0 HG22 ILE B 9 1.126 8.261 6.082 1.00 0.00 H new ATOM 0 HG23 ILE B 9 2.517 8.908 6.985 1.00 0.00 H new ATOM 0 HD11 ILE B 9 6.379 7.429 4.461 1.00 0.00 H new ATOM 0 HD12 ILE B 9 5.401 6.091 5.109 1.00 0.00 H new ATOM 0 HD13 ILE B 9 4.964 6.841 3.556 1.00 0.00 H new ATOM 524 N GLY B 10 1.605 6.823 8.251 1.00 0.00 N ATOM 525 CA GLY B 10 1.296 7.206 9.630 1.00 0.00 C ATOM 526 C GLY B 10 1.907 6.228 10.640 1.00 0.00 C ATOM 527 O GLY B 10 2.819 6.583 11.386 1.00 0.00 O ATOM 0 H GLY B 10 0.787 6.701 7.655 1.00 0.00 H new ATOM 0 HA2 GLY B 10 1.673 8.210 9.822 1.00 0.00 H new ATOM 0 HA3 GLY B 10 0.215 7.240 9.765 1.00 0.00 H new ATOM 531 N LEU B 11 1.379 5.007 10.675 1.00 0.00 N ATOM 532 CA LEU B 11 1.854 3.993 11.607 1.00 0.00 C ATOM 533 C LEU B 11 3.329 3.678 11.371 1.00 0.00 C ATOM 534 O LEU B 11 4.039 3.285 12.286 1.00 0.00 O ATOM 535 CB LEU B 11 1.009 2.724 11.457 1.00 0.00 C ATOM 536 CG LEU B 11 1.533 1.616 12.376 1.00 0.00 C ATOM 537 CD1 LEU B 11 1.572 2.101 13.835 1.00 0.00 C ATOM 538 CD2 LEU B 11 0.607 0.404 12.265 1.00 0.00 C ATOM 0 H LEU B 11 0.621 4.697 10.067 1.00 0.00 H new ATOM 0 HA LEU B 11 1.753 4.378 12.622 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.031 2.943 11.698 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.032 2.386 10.421 1.00 0.00 H new ATOM 0 HG LEU B 11 2.545 1.346 12.073 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.947 1.302 14.474 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.230 2.967 13.913 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.567 2.379 14.153 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.970 -0.392 12.915 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.401 0.688 12.567 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.591 0.051 11.234 1.00 0.00 H new ATOM 550 N MET B 12 3.776 3.845 10.139 1.00 0.00 N ATOM 551 CA MET B 12 5.150 3.583 9.787 1.00 0.00 C ATOM 552 C MET B 12 6.087 4.537 10.538 1.00 0.00 C ATOM 553 O MET B 12 6.911 4.111 11.344 1.00 0.00 O ATOM 554 CB MET B 12 5.244 3.786 8.282 1.00 0.00 C ATOM 555 CG MET B 12 6.677 3.734 7.786 1.00 0.00 C ATOM 556 SD MET B 12 7.376 2.081 8.052 1.00 0.00 S ATOM 557 CE MET B 12 8.748 2.533 9.149 1.00 0.00 C ATOM 0 H MET B 12 3.197 4.164 9.363 1.00 0.00 H new ATOM 0 HA MET B 12 5.452 2.572 10.062 1.00 0.00 H new ATOM 0 HB2 MET B 12 4.658 3.019 7.776 1.00 0.00 H new ATOM 0 HB3 MET B 12 4.805 4.748 8.019 1.00 0.00 H new ATOM 0 HG2 MET B 12 6.711 3.984 6.726 1.00 0.00 H new ATOM 0 HG3 MET B 12 7.277 4.479 8.309 1.00 0.00 H new ATOM 0 HE1 MET B 12 9.597 1.877 8.959 1.00 0.00 H new ATOM 0 HE2 MET B 12 9.039 3.566 8.961 1.00 0.00 H new ATOM 0 HE3 MET B 12 8.433 2.428 10.187 1.00 0.00 H new ATOM 567 N VAL B 13 5.955 5.828 10.254 1.00 0.00 N ATOM 568 CA VAL B 13 6.798 6.841 10.885 1.00 0.00 C ATOM 569 C VAL B 13 6.514 6.987 12.377 1.00 0.00 C ATOM 570 O VAL B 13 7.354 7.491 13.119 1.00 0.00 O ATOM 571 CB VAL B 13 6.614 8.189 10.191 1.00 0.00 C ATOM 572 CG1 VAL B 13 6.806 8.002 8.684 1.00 0.00 C ATOM 573 CG2 VAL B 13 5.213 8.746 10.481 1.00 0.00 C ATOM 0 H VAL B 13 5.274 6.199 9.592 1.00 0.00 H new ATOM 0 HA VAL B 13 7.830 6.508 10.778 1.00 0.00 H new ATOM 0 HB VAL B 13 7.351 8.898 10.568 1.00 0.00 H new ATOM 0 HG11 VAL B 13 6.677 8.959 8.179 1.00 0.00 H new ATOM 0 HG12 VAL B 13 7.809 7.622 8.489 1.00 0.00 H new ATOM 0 HG13 VAL B 13 6.069 7.291 8.309 1.00 0.00 H new ATOM 0 HG21 VAL B 13 5.093 9.707 9.981 1.00 0.00 H new ATOM 0 HG22 VAL B 13 4.461 8.049 10.112 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.089 8.878 11.556 1.00 0.00 H new ATOM 583 N GLY B 14 5.342 6.551 12.823 1.00 0.00 N ATOM 584 CA GLY B 14 4.998 6.651 14.242 1.00 0.00 C ATOM 585 C GLY B 14 5.506 5.435 15.019 1.00 0.00 C ATOM 586 O GLY B 14 5.989 5.570 16.140 1.00 0.00 O ATOM 0 H GLY B 14 4.622 6.131 12.236 1.00 0.00 H new ATOM 0 HA2 GLY B 14 5.429 7.560 14.661 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.917 6.731 14.352 1.00 0.00 H new ATOM 590 N GLY B 15 5.391 4.251 14.415 1.00 0.00 N ATOM 591 CA GLY B 15 5.837 3.034 15.074 1.00 0.00 C ATOM 592 C GLY B 15 7.276 3.200 15.519 1.00 0.00 C ATOM 593 O GLY B 15 7.619 2.948 16.674 1.00 0.00 O ATOM 0 H GLY B 15 4.998 4.115 13.484 1.00 0.00 H new ATOM 0 HA2 GLY B 15 5.202 2.819 15.933 1.00 0.00 H new ATOM 0 HA3 GLY B 15 5.751 2.187 14.394 1.00 0.00 H new ATOM 597 N VAL B 16 8.120 3.603 14.581 1.00 0.00 N ATOM 598 CA VAL B 16 9.532 3.776 14.875 1.00 0.00 C ATOM 599 C VAL B 16 9.720 4.508 16.199 1.00 0.00 C ATOM 600 O VAL B 16 10.490 4.064 17.047 1.00 0.00 O ATOM 601 CB VAL B 16 10.223 4.533 13.731 1.00 0.00 C ATOM 602 CG1 VAL B 16 10.460 3.583 12.552 1.00 0.00 C ATOM 603 CG2 VAL B 16 9.338 5.690 13.265 1.00 0.00 C ATOM 0 H VAL B 16 7.854 3.814 13.619 1.00 0.00 H new ATOM 0 HA VAL B 16 9.992 2.792 14.966 1.00 0.00 H new ATOM 0 HB VAL B 16 11.176 4.921 14.090 1.00 0.00 H new ATOM 0 HG11 VAL B 16 10.950 4.123 11.742 1.00 0.00 H new ATOM 0 HG12 VAL B 16 11.094 2.756 12.873 1.00 0.00 H new ATOM 0 HG13 VAL B 16 9.505 3.193 12.201 1.00 0.00 H new ATOM 0 HG21 VAL B 16 9.833 6.223 12.454 1.00 0.00 H new ATOM 0 HG22 VAL B 16 8.383 5.299 12.913 1.00 0.00 H new ATOM 0 HG23 VAL B 16 9.165 6.374 14.096 1.00 0.00 H new ATOM 613 N VAL B 17 9.024 5.617 16.377 1.00 0.00 N ATOM 614 CA VAL B 17 9.147 6.383 17.610 1.00 0.00 C ATOM 615 C VAL B 17 8.779 5.530 18.824 1.00 0.00 C ATOM 616 O VAL B 17 9.467 5.560 19.843 1.00 0.00 O ATOM 617 CB VAL B 17 8.215 7.589 17.565 1.00 0.00 C ATOM 618 CG1 VAL B 17 8.356 8.376 18.867 1.00 0.00 C ATOM 619 CG2 VAL B 17 8.580 8.482 16.376 1.00 0.00 C ATOM 0 H VAL B 17 8.374 6.006 15.694 1.00 0.00 H new ATOM 0 HA VAL B 17 10.184 6.707 17.701 1.00 0.00 H new ATOM 0 HB VAL B 17 7.185 7.253 17.450 1.00 0.00 H new ATOM 0 HG11 VAL B 17 7.693 9.241 18.843 1.00 0.00 H new ATOM 0 HG12 VAL B 17 8.089 7.737 19.709 1.00 0.00 H new ATOM 0 HG13 VAL B 17 9.387 8.712 18.979 1.00 0.00 H new ATOM 0 HG21 VAL B 17 7.911 9.342 16.348 1.00 0.00 H new ATOM 0 HG22 VAL B 17 9.609 8.826 16.481 1.00 0.00 H new ATOM 0 HG23 VAL B 17 8.480 7.915 15.451 1.00 0.00 H new ATOM 629 N ILE B 18 7.699 4.771 18.701 1.00 0.00 N ATOM 630 CA ILE B 18 7.267 3.918 19.807 1.00 0.00 C ATOM 631 C ILE B 18 8.376 2.921 20.139 1.00 0.00 C ATOM 632 O ILE B 18 8.750 2.753 21.300 1.00 0.00 O ATOM 633 CB ILE B 18 5.983 3.157 19.449 1.00 0.00 C ATOM 634 CG1 ILE B 18 4.887 4.139 19.004 1.00 0.00 C ATOM 635 CG2 ILE B 18 5.496 2.367 20.666 1.00 0.00 C ATOM 636 CD1 ILE B 18 4.683 5.239 20.054 1.00 0.00 C ATOM 0 H ILE B 18 7.114 4.725 17.866 1.00 0.00 H new ATOM 0 HA ILE B 18 7.060 4.550 20.671 1.00 0.00 H new ATOM 0 HB ILE B 18 6.199 2.471 18.630 1.00 0.00 H new ATOM 0 HG12 ILE B 18 5.160 4.588 18.049 1.00 0.00 H new ATOM 0 HG13 ILE B 18 3.952 3.601 18.848 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.584 1.828 20.409 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.265 1.656 20.970 1.00 0.00 H new ATOM 0 HG23 ILE B 18 5.292 3.054 21.488 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.903 5.922 19.718 1.00 0.00 H new ATOM 0 HD12 ILE B 18 4.387 4.788 21.001 1.00 0.00 H new ATOM 0 HD13 ILE B 18 5.614 5.790 20.190 1.00 0.00 H new ATOM 648 N ALA B 19 8.879 2.255 19.109 1.00 0.00 N ATOM 649 CA ALA B 19 9.934 1.258 19.290 1.00 0.00 C ATOM 650 C ALA B 19 11.163 1.869 19.966 1.00 0.00 C ATOM 651 O ALA B 19 11.826 1.216 20.773 1.00 0.00 O ATOM 652 CB ALA B 19 10.328 0.671 17.934 1.00 0.00 C ATOM 0 H ALA B 19 8.578 2.383 18.143 1.00 0.00 H new ATOM 0 HA ALA B 19 9.549 0.468 19.935 1.00 0.00 H new ATOM 0 HB1 ALA B 19 11.114 -0.071 18.073 1.00 0.00 H new ATOM 0 HB2 ALA B 19 9.459 0.198 17.476 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.692 1.467 17.285 1.00 0.00 H new ATOM 658 N THR B 20 11.452 3.124 19.641 1.00 0.00 N ATOM 659 CA THR B 20 12.599 3.826 20.225 1.00 0.00 C ATOM 660 C THR B 20 12.324 4.202 21.666 1.00 0.00 C ATOM 661 O THR B 20 13.250 4.484 22.426 1.00 0.00 O ATOM 662 CB THR B 20 12.883 5.122 19.453 1.00 0.00 C ATOM 663 OG1 THR B 20 11.837 6.047 19.714 1.00 0.00 O ATOM 664 CG2 THR B 20 12.960 4.875 17.935 1.00 0.00 C ATOM 0 H THR B 20 10.911 3.679 18.978 1.00 0.00 H new ATOM 0 HA THR B 20 13.454 3.152 20.170 1.00 0.00 H new ATOM 0 HB THR B 20 13.846 5.513 19.783 1.00 0.00 H new ATOM 0 HG1 THR B 20 10.988 5.565 19.803 1.00 0.00 H new ATOM 0 HG21 THR B 20 13.162 5.816 17.423 1.00 0.00 H new ATOM 0 HG22 THR B 20 13.760 4.166 17.722 1.00 0.00 H new ATOM 0 HG23 THR B 20 12.012 4.468 17.584 1.00 0.00 H new ATOM 672 N MET B 21 11.055 4.209 22.048 1.00 0.00 N ATOM 673 CA MET B 21 10.698 4.550 23.414 1.00 0.00 C ATOM 674 C MET B 21 10.810 3.322 24.307 1.00 0.00 C ATOM 675 O MET B 21 11.132 3.439 25.490 1.00 0.00 O ATOM 676 CB MET B 21 9.278 5.123 23.463 1.00 0.00 C ATOM 677 CG MET B 21 9.272 6.566 22.927 1.00 0.00 C ATOM 678 SD MET B 21 10.257 7.649 24.008 1.00 0.00 S ATOM 679 CE MET B 21 11.636 7.976 22.871 1.00 0.00 C ATOM 0 H MET B 21 10.267 3.986 21.440 1.00 0.00 H new ATOM 0 HA MET B 21 11.389 5.309 23.780 1.00 0.00 H new ATOM 0 HB2 MET B 21 8.607 4.503 22.869 1.00 0.00 H new ATOM 0 HB3 MET B 21 8.905 5.105 24.487 1.00 0.00 H new ATOM 0 HG2 MET B 21 9.677 6.586 21.915 1.00 0.00 H new ATOM 0 HG3 MET B 21 8.248 6.935 22.868 1.00 0.00 H new ATOM 0 HE1 MET B 21 12.502 8.316 23.438 1.00 0.00 H new ATOM 0 HE2 MET B 21 11.890 7.062 22.334 1.00 0.00 H new ATOM 0 HE3 MET B 21 11.344 8.747 22.157 1.00 0.00 H new ATOM 689 N ILE B 22 10.547 2.139 23.746 1.00 0.00 N ATOM 690 CA ILE B 22 10.629 0.913 24.527 1.00 0.00 C ATOM 691 C ILE B 22 12.062 0.680 25.008 1.00 0.00 C ATOM 692 O ILE B 22 12.286 0.378 26.177 1.00 0.00 O ATOM 693 CB ILE B 22 10.175 -0.279 23.673 1.00 0.00 C ATOM 694 CG1 ILE B 22 8.680 -0.142 23.355 1.00 0.00 C ATOM 695 CG2 ILE B 22 10.408 -1.582 24.443 1.00 0.00 C ATOM 696 CD1 ILE B 22 8.274 -1.178 22.299 1.00 0.00 C ATOM 0 H ILE B 22 10.280 2.009 22.770 1.00 0.00 H new ATOM 0 HA ILE B 22 9.977 1.010 25.395 1.00 0.00 H new ATOM 0 HB ILE B 22 10.748 -0.295 22.746 1.00 0.00 H new ATOM 0 HG12 ILE B 22 8.092 -0.284 24.262 1.00 0.00 H new ATOM 0 HG13 ILE B 22 8.467 0.863 22.991 1.00 0.00 H new ATOM 0 HG21 ILE B 22 10.085 -2.427 23.835 1.00 0.00 H new ATOM 0 HG22 ILE B 22 11.469 -1.684 24.672 1.00 0.00 H new ATOM 0 HG23 ILE B 22 9.836 -1.563 25.371 1.00 0.00 H new ATOM 0 HD11 ILE B 22 7.212 -1.075 22.078 1.00 0.00 H new ATOM 0 HD12 ILE B 22 8.851 -1.015 21.389 1.00 0.00 H new ATOM 0 HD13 ILE B 22 8.470 -2.181 22.679 1.00 0.00 H new ATOM 708 N VAL B 23 13.031 0.808 24.099 1.00 0.00 N ATOM 709 CA VAL B 23 14.436 0.589 24.455 1.00 0.00 C ATOM 710 C VAL B 23 14.889 1.609 25.480 1.00 0.00 C ATOM 711 O VAL B 23 15.675 1.306 26.374 1.00 0.00 O ATOM 712 CB VAL B 23 15.336 0.691 23.219 1.00 0.00 C ATOM 713 CG1 VAL B 23 14.984 -0.415 22.207 1.00 0.00 C ATOM 714 CG2 VAL B 23 15.162 2.069 22.572 1.00 0.00 C ATOM 0 H VAL B 23 12.873 1.059 23.123 1.00 0.00 H new ATOM 0 HA VAL B 23 14.517 -0.413 24.876 1.00 0.00 H new ATOM 0 HB VAL B 23 16.375 0.563 23.524 1.00 0.00 H new ATOM 0 HG11 VAL B 23 15.632 -0.329 21.335 1.00 0.00 H new ATOM 0 HG12 VAL B 23 15.127 -1.391 22.671 1.00 0.00 H new ATOM 0 HG13 VAL B 23 13.944 -0.308 21.899 1.00 0.00 H new ATOM 0 HG21 VAL B 23 15.802 2.142 21.693 1.00 0.00 H new ATOM 0 HG22 VAL B 23 14.122 2.203 22.275 1.00 0.00 H new ATOM 0 HG23 VAL B 23 15.438 2.844 23.287 1.00 0.00 H new ATOM 724 N ILE B 24 14.371 2.813 25.366 1.00 0.00 N ATOM 725 CA ILE B 24 14.716 3.864 26.312 1.00 0.00 C ATOM 726 C ILE B 24 14.639 3.292 27.741 1.00 0.00 C ATOM 727 O ILE B 24 15.271 3.810 28.664 1.00 0.00 O ATOM 728 CB ILE B 24 13.754 5.071 26.095 1.00 0.00 C ATOM 729 CG1 ILE B 24 14.545 6.311 25.630 1.00 0.00 C ATOM 730 CG2 ILE B 24 12.979 5.429 27.370 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.305 6.011 24.323 1.00 0.00 C ATOM 0 H ILE B 24 13.715 3.092 24.636 1.00 0.00 H new ATOM 0 HA ILE B 24 15.733 4.223 26.157 1.00 0.00 H new ATOM 0 HB ILE B 24 13.039 4.770 25.330 1.00 0.00 H new ATOM 0 HG12 ILE B 24 13.863 7.148 25.477 1.00 0.00 H new ATOM 0 HG13 ILE B 24 15.249 6.612 26.406 1.00 0.00 H new ATOM 0 HG21 ILE B 24 12.322 6.275 27.171 1.00 0.00 H new ATOM 0 HG22 ILE B 24 12.383 4.573 27.686 1.00 0.00 H new ATOM 0 HG23 ILE B 24 13.681 5.693 28.161 1.00 0.00 H new ATOM 0 HD11 ILE B 24 15.857 6.898 24.011 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.002 5.189 24.488 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.594 5.733 23.544 1.00 0.00 H new ATOM 743 N THR B 25 13.873 2.203 27.896 1.00 0.00 N ATOM 744 CA THR B 25 13.736 1.545 29.201 1.00 0.00 C ATOM 745 C THR B 25 14.954 0.663 29.496 1.00 0.00 C ATOM 746 O THR B 25 15.463 0.649 30.612 1.00 0.00 O ATOM 747 CB THR B 25 12.423 0.730 29.267 1.00 0.00 C ATOM 748 OG1 THR B 25 11.922 0.776 30.598 1.00 0.00 O ATOM 749 CG2 THR B 25 12.645 -0.737 28.870 1.00 0.00 C ATOM 0 H THR B 25 13.344 1.764 27.142 1.00 0.00 H new ATOM 0 HA THR B 25 13.690 2.315 29.971 1.00 0.00 H new ATOM 0 HB THR B 25 11.713 1.168 28.565 1.00 0.00 H new ATOM 0 HG1 THR B 25 11.088 0.264 30.652 1.00 0.00 H new ATOM 0 HG21 THR B 25 11.700 -1.277 28.929 1.00 0.00 H new ATOM 0 HG22 THR B 25 13.027 -0.784 27.850 1.00 0.00 H new ATOM 0 HG23 THR B 25 13.366 -1.193 29.549 1.00 0.00 H new ATOM 757 N LEU B 26 15.420 -0.072 28.494 1.00 0.00 N ATOM 758 CA LEU B 26 16.575 -0.952 28.641 1.00 0.00 C ATOM 759 C LEU B 26 17.754 -0.189 29.255 1.00 0.00 C ATOM 760 O LEU B 26 18.543 -0.740 30.020 1.00 0.00 O ATOM 761 CB LEU B 26 16.878 -1.483 27.222 1.00 0.00 C ATOM 762 CG LEU B 26 18.234 -2.190 27.098 1.00 0.00 C ATOM 763 CD1 LEU B 26 19.402 -1.184 27.142 1.00 0.00 C ATOM 764 CD2 LEU B 26 18.380 -3.265 28.189 1.00 0.00 C ATOM 0 H LEU B 26 15.011 -0.076 27.560 1.00 0.00 H new ATOM 0 HA LEU B 26 16.384 -1.783 29.320 1.00 0.00 H new ATOM 0 HB2 LEU B 26 16.090 -2.176 26.928 1.00 0.00 H new ATOM 0 HB3 LEU B 26 16.848 -0.650 26.519 1.00 0.00 H new ATOM 0 HG LEU B 26 18.271 -2.682 26.126 1.00 0.00 H new ATOM 0 HD11 LEU B 26 20.347 -1.720 27.052 1.00 0.00 H new ATOM 0 HD12 LEU B 26 19.305 -0.478 26.318 1.00 0.00 H new ATOM 0 HD13 LEU B 26 19.381 -0.643 28.088 1.00 0.00 H new ATOM 0 HD21 LEU B 26 19.347 -3.757 28.087 1.00 0.00 H new ATOM 0 HD22 LEU B 26 18.312 -2.798 29.171 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.584 -4.002 28.082 1.00 0.00 H new ATOM 776 N VAL B 27 17.822 1.095 28.964 1.00 0.00 N ATOM 777 CA VAL B 27 18.867 1.948 29.528 1.00 0.00 C ATOM 778 C VAL B 27 18.696 2.033 31.049 1.00 0.00 C ATOM 779 O VAL B 27 19.670 2.085 31.801 1.00 0.00 O ATOM 780 CB VAL B 27 18.793 3.345 28.904 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.033 4.160 29.280 1.00 0.00 C ATOM 782 CG2 VAL B 27 18.716 3.217 27.380 1.00 0.00 C ATOM 0 H VAL B 27 17.171 1.576 28.343 1.00 0.00 H new ATOM 0 HA VAL B 27 19.844 1.519 29.306 1.00 0.00 H new ATOM 0 HB VAL B 27 17.905 3.854 29.280 1.00 0.00 H new ATOM 0 HG11 VAL B 27 19.968 5.151 28.830 1.00 0.00 H new ATOM 0 HG12 VAL B 27 20.090 4.257 30.364 1.00 0.00 H new ATOM 0 HG13 VAL B 27 20.926 3.654 28.914 1.00 0.00 H new ATOM 0 HG21 VAL B 27 18.663 4.210 26.934 1.00 0.00 H new ATOM 0 HG22 VAL B 27 19.603 2.701 27.013 1.00 0.00 H new ATOM 0 HG23 VAL B 27 17.827 2.649 27.107 1.00 0.00 H new ATOM 792 N MET B 28 17.438 2.039 31.478 1.00 0.00 N ATOM 793 CA MET B 28 17.113 2.107 32.903 1.00 0.00 C ATOM 794 C MET B 28 17.443 0.785 33.597 1.00 0.00 C ATOM 795 O MET B 28 17.759 0.764 34.787 1.00 0.00 O ATOM 796 CB MET B 28 15.632 2.445 33.114 1.00 0.00 C ATOM 797 CG MET B 28 15.363 3.868 32.625 1.00 0.00 C ATOM 798 SD MET B 28 13.596 4.236 32.775 1.00 0.00 S ATOM 799 CE MET B 28 13.509 4.263 34.585 1.00 0.00 C ATOM 0 H MET B 28 16.626 1.998 30.862 1.00 0.00 H new ATOM 0 HA MET B 28 17.719 2.900 33.342 1.00 0.00 H new ATOM 0 HB2 MET B 28 15.005 1.737 32.572 1.00 0.00 H new ATOM 0 HB3 MET B 28 15.374 2.356 34.169 1.00 0.00 H new ATOM 0 HG2 MET B 28 15.944 4.581 33.210 1.00 0.00 H new ATOM 0 HG3 MET B 28 15.680 3.973 31.588 1.00 0.00 H new ATOM 0 HE1 MET B 28 12.669 4.883 34.900 1.00 0.00 H new ATOM 0 HE2 MET B 28 13.371 3.248 34.958 1.00 0.00 H new ATOM 0 HE3 MET B 28 14.435 4.675 34.988 1.00 0.00 H new ATOM 809 N LEU B 29 17.359 -0.317 32.851 1.00 0.00 N ATOM 810 CA LEU B 29 17.643 -1.636 33.414 1.00 0.00 C ATOM 811 C LEU B 29 19.146 -1.876 33.530 1.00 0.00 C ATOM 812 O LEU B 29 19.578 -2.853 34.144 1.00 0.00 O ATOM 813 CB LEU B 29 17.025 -2.731 32.539 1.00 0.00 C ATOM 814 CG LEU B 29 15.497 -2.587 32.514 1.00 0.00 C ATOM 815 CD1 LEU B 29 14.914 -3.603 31.525 1.00 0.00 C ATOM 816 CD2 LEU B 29 14.913 -2.836 33.920 1.00 0.00 C ATOM 0 H LEU B 29 17.099 -0.323 31.865 1.00 0.00 H new ATOM 0 HA LEU B 29 17.205 -1.670 34.411 1.00 0.00 H new ATOM 0 HB2 LEU B 29 17.421 -2.664 31.526 1.00 0.00 H new ATOM 0 HB3 LEU B 29 17.299 -3.713 32.924 1.00 0.00 H new ATOM 0 HG LEU B 29 15.236 -1.575 32.203 1.00 0.00 H new ATOM 0 HD11 LEU B 29 13.829 -3.507 31.502 1.00 0.00 H new ATOM 0 HD12 LEU B 29 15.316 -3.414 30.530 1.00 0.00 H new ATOM 0 HD13 LEU B 29 15.182 -4.612 31.839 1.00 0.00 H new ATOM 0 HD21 LEU B 29 13.829 -2.731 33.887 1.00 0.00 H new ATOM 0 HD22 LEU B 29 15.170 -3.843 34.248 1.00 0.00 H new ATOM 0 HD23 LEU B 29 15.327 -2.110 34.620 1.00 0.00 H new ATOM 828 N LYS B 30 19.942 -0.986 32.946 1.00 0.00 N ATOM 829 CA LYS B 30 21.393 -1.130 33.008 1.00 0.00 C ATOM 830 C LYS B 30 21.881 -1.059 34.453 1.00 0.00 C ATOM 831 O LYS B 30 22.815 -1.765 34.834 1.00 0.00 O ATOM 832 CB LYS B 30 22.088 -0.044 32.180 1.00 0.00 C ATOM 833 CG LYS B 30 21.891 -0.322 30.687 1.00 0.00 C ATOM 834 CD LYS B 30 22.638 0.738 29.871 1.00 0.00 C ATOM 835 CE LYS B 30 22.530 0.414 28.379 1.00 0.00 C ATOM 836 NZ LYS B 30 23.316 1.409 27.596 1.00 0.00 N ATOM 0 H LYS B 30 19.614 -0.169 32.431 1.00 0.00 H new ATOM 0 HA LYS B 30 21.646 -2.106 32.593 1.00 0.00 H new ATOM 0 HB2 LYS B 30 21.681 0.935 32.433 1.00 0.00 H new ATOM 0 HB3 LYS B 30 23.152 -0.018 32.417 1.00 0.00 H new ATOM 0 HG2 LYS B 30 22.262 -1.316 30.439 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.830 -0.307 30.440 1.00 0.00 H new ATOM 0 HD2 LYS B 30 22.220 1.725 30.070 1.00 0.00 H new ATOM 0 HD3 LYS B 30 23.685 0.770 30.171 1.00 0.00 H new ATOM 0 HE2 LYS B 30 22.903 -0.592 28.187 1.00 0.00 H new ATOM 0 HE3 LYS B 30 21.486 0.432 28.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 22.771 1.701 26.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 23.513 2.240 28.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 24.214 0.981 27.292 1.00 0.00 H new ATOM 850 N LYS B 31 21.242 -0.209 35.258 1.00 0.00 N ATOM 851 CA LYS B 31 21.619 -0.058 36.664 1.00 0.00 C ATOM 852 C LYS B 31 20.844 -1.046 37.539 1.00 0.00 C ATOM 853 O LYS B 31 20.749 -0.868 38.753 1.00 0.00 O ATOM 854 CB LYS B 31 21.329 1.381 37.129 1.00 0.00 C ATOM 855 CG LYS B 31 22.210 1.741 38.336 1.00 0.00 C ATOM 856 CD LYS B 31 22.028 3.223 38.703 1.00 0.00 C ATOM 857 CE LYS B 31 20.755 3.410 39.539 1.00 0.00 C ATOM 858 NZ LYS B 31 20.812 2.533 40.744 1.00 0.00 N ATOM 0 H LYS B 31 20.465 0.382 34.963 1.00 0.00 H new ATOM 0 HA LYS B 31 22.685 -0.266 36.761 1.00 0.00 H new ATOM 0 HB2 LYS B 31 21.516 2.079 36.313 1.00 0.00 H new ATOM 0 HB3 LYS B 31 20.277 1.479 37.396 1.00 0.00 H new ATOM 0 HG2 LYS B 31 21.947 1.113 39.187 1.00 0.00 H new ATOM 0 HG3 LYS B 31 23.256 1.542 38.104 1.00 0.00 H new ATOM 0 HD2 LYS B 31 22.894 3.575 39.263 1.00 0.00 H new ATOM 0 HD3 LYS B 31 21.968 3.825 37.796 1.00 0.00 H new ATOM 0 HE2 LYS B 31 20.656 4.453 39.841 1.00 0.00 H new ATOM 0 HE3 LYS B 31 19.877 3.166 38.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 20.418 3.041 41.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 20.257 1.670 40.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 21.801 2.276 40.940 1.00 0.00 H new ATOM 872 N LYS B 32 20.294 -2.084 36.916 1.00 0.00 N ATOM 873 CA LYS B 32 19.535 -3.088 37.657 1.00 0.00 C ATOM 874 C LYS B 32 20.466 -3.904 38.549 1.00 0.00 C ATOM 875 O LYS B 32 21.567 -3.444 38.801 1.00 0.00 O ATOM 876 CB LYS B 32 18.794 -4.012 36.679 1.00 0.00 C ATOM 877 CG LYS B 32 18.040 -5.122 37.434 1.00 0.00 C ATOM 878 CD LYS B 32 17.008 -4.508 38.390 1.00 0.00 C ATOM 879 CE LYS B 32 15.969 -5.565 38.779 1.00 0.00 C ATOM 880 NZ LYS B 32 15.195 -5.969 37.572 1.00 0.00 N ATOM 0 H LYS B 32 20.358 -2.252 35.912 1.00 0.00 H new ATOM 0 HA LYS B 32 18.805 -2.582 38.288 1.00 0.00 H new ATOM 0 HB2 LYS B 32 18.091 -3.429 36.084 1.00 0.00 H new ATOM 0 HB3 LYS B 32 19.506 -4.458 35.984 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.541 -5.781 36.723 1.00 0.00 H new ATOM 0 HG3 LYS B 32 18.746 -5.735 37.995 1.00 0.00 H new ATOM 0 HD2 LYS B 32 17.506 -4.128 39.282 1.00 0.00 H new ATOM 0 HD3 LYS B 32 16.517 -3.660 37.914 1.00 0.00 H new ATOM 0 HE2 LYS B 32 16.464 -6.433 39.214 1.00 0.00 H new ATOM 0 HE3 LYS B 32 15.297 -5.167 39.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.239 -6.265 37.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.128 -5.164 36.917 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 15.676 -6.761 37.100 1.00 0.00 H new