USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=10 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: A 28 MET CE :methyl 149:sc= -0.017 (180deg=-0.986) USER MOD Set 1.2: B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 20 THR OG1 : rot -14:sc= -1.31! USER MOD Set 2.2: B 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 28 MET CE :methyl 155:sc=-0.00717 (180deg=-0.941) USER MOD Set 4.1: A 20 THR OG1 : rot -8:sc= -1.1! USER MOD Set 4.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -178:sc= 0 (180deg=-0.00536) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0361 (180deg=-0.323) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -178:sc= 0 (180deg=-0.00447) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -163:sc= -0.0176 (180deg=-0.332) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 7 6.526 5.271 -0.987 1.00 0.00 N ATOM 30 CA ALA A 7 6.081 6.227 0.010 1.00 0.00 C ATOM 31 C ALA A 7 5.609 5.499 1.264 1.00 0.00 C ATOM 32 O ALA A 7 5.808 5.978 2.381 1.00 0.00 O ATOM 33 CB ALA A 7 4.942 7.083 -0.552 1.00 0.00 C ATOM 0 HA ALA A 7 6.918 6.875 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.616 7.797 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.292 7.622 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.106 6.440 -0.829 1.00 0.00 H new ATOM 39 N ILE A 8 4.976 4.340 1.076 1.00 0.00 N ATOM 40 CA ILE A 8 4.473 3.564 2.209 1.00 0.00 C ATOM 41 C ILE A 8 5.612 3.071 3.099 1.00 0.00 C ATOM 42 O ILE A 8 5.602 3.291 4.309 1.00 0.00 O ATOM 43 CB ILE A 8 3.676 2.359 1.698 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.436 2.848 0.948 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.238 1.490 2.882 1.00 0.00 C ATOM 46 CD1 ILE A 8 1.809 1.677 0.190 1.00 0.00 C ATOM 0 H ILE A 8 4.801 3.923 0.162 1.00 0.00 H new ATOM 0 HA ILE A 8 3.831 4.216 2.801 1.00 0.00 H new ATOM 0 HB ILE A 8 4.304 1.772 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.716 3.270 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.707 3.643 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.672 0.634 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.118 1.139 3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.612 2.078 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.925 2.022 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.531 1.276 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.524 0.897 0.896 1.00 0.00 H new ATOM 58 N ILE A 9 6.590 2.397 2.495 1.00 0.00 N ATOM 59 CA ILE A 9 7.718 1.878 3.256 1.00 0.00 C ATOM 60 C ILE A 9 8.617 3.019 3.722 1.00 0.00 C ATOM 61 O ILE A 9 9.077 3.032 4.864 1.00 0.00 O ATOM 62 CB ILE A 9 8.513 0.879 2.402 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.495 0.084 3.289 1.00 0.00 C ATOM 64 CG2 ILE A 9 9.293 1.634 1.326 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.776 -1.104 3.941 1.00 0.00 C ATOM 0 H ILE A 9 6.622 2.201 1.495 1.00 0.00 H new ATOM 0 HA ILE A 9 7.339 1.360 4.137 1.00 0.00 H new ATOM 0 HB ILE A 9 7.818 0.184 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.332 -0.273 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.910 0.735 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.857 0.925 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.598 2.182 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.981 2.334 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.479 -1.657 4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.954 -0.738 4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.383 -1.762 3.166 1.00 0.00 H new ATOM 77 N GLY A 10 8.860 3.972 2.822 1.00 0.00 N ATOM 78 CA GLY A 10 9.704 5.128 3.131 1.00 0.00 C ATOM 79 C GLY A 10 9.516 5.572 4.579 1.00 0.00 C ATOM 80 O GLY A 10 10.484 5.759 5.318 1.00 0.00 O ATOM 0 H GLY A 10 8.485 3.967 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.750 4.876 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.459 5.951 2.460 1.00 0.00 H new ATOM 84 N LEU A 11 8.257 5.709 4.980 1.00 0.00 N ATOM 85 CA LEU A 11 7.930 6.096 6.347 1.00 0.00 C ATOM 86 C LEU A 11 8.193 4.943 7.316 1.00 0.00 C ATOM 87 O LEU A 11 8.638 5.161 8.434 1.00 0.00 O ATOM 88 CB LEU A 11 6.459 6.554 6.421 1.00 0.00 C ATOM 89 CG LEU A 11 6.366 8.064 6.107 1.00 0.00 C ATOM 90 CD1 LEU A 11 4.972 8.407 5.576 1.00 0.00 C ATOM 91 CD2 LEU A 11 6.630 8.870 7.390 1.00 0.00 C ATOM 0 H LEU A 11 7.447 5.558 4.379 1.00 0.00 H new ATOM 0 HA LEU A 11 8.571 6.927 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.856 5.988 5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.055 6.354 7.414 1.00 0.00 H new ATOM 0 HG LEU A 11 7.110 8.315 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.918 9.474 5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.780 7.840 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.224 8.152 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.565 9.936 7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.887 8.609 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.626 8.638 7.767 1.00 0.00 H new ATOM 103 N MET A 12 7.892 3.724 6.887 1.00 0.00 N ATOM 104 CA MET A 12 8.078 2.551 7.715 1.00 0.00 C ATOM 105 C MET A 12 9.515 2.434 8.209 1.00 0.00 C ATOM 106 O MET A 12 9.770 2.453 9.413 1.00 0.00 O ATOM 107 CB MET A 12 7.720 1.330 6.875 1.00 0.00 C ATOM 108 CG MET A 12 7.534 0.109 7.757 1.00 0.00 C ATOM 109 SD MET A 12 9.150 -0.513 8.298 1.00 0.00 S ATOM 110 CE MET A 12 8.834 -0.563 10.083 1.00 0.00 C ATOM 0 H MET A 12 7.515 3.527 5.960 1.00 0.00 H new ATOM 0 HA MET A 12 7.439 2.625 8.595 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.805 1.523 6.315 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.507 1.141 6.145 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.924 0.365 8.624 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.000 -0.668 7.210 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.734 -0.891 10.603 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.556 0.432 10.431 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.022 -1.260 10.289 1.00 0.00 H new ATOM 120 N VAL A 13 10.445 2.306 7.281 1.00 0.00 N ATOM 121 CA VAL A 13 11.846 2.178 7.643 1.00 0.00 C ATOM 122 C VAL A 13 12.354 3.458 8.290 1.00 0.00 C ATOM 123 O VAL A 13 13.335 3.437 9.030 1.00 0.00 O ATOM 124 CB VAL A 13 12.677 1.832 6.411 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.328 0.408 5.971 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.357 2.814 5.279 1.00 0.00 C ATOM 0 H VAL A 13 10.259 2.288 6.278 1.00 0.00 H new ATOM 0 HA VAL A 13 11.945 1.371 8.369 1.00 0.00 H new ATOM 0 HB VAL A 13 13.739 1.900 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.914 0.145 5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.554 -0.288 6.779 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.266 0.351 5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.952 2.564 4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.298 2.749 5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.593 3.829 5.600 1.00 0.00 H new ATOM 136 N GLY A 14 11.683 4.572 8.018 1.00 0.00 N ATOM 137 CA GLY A 14 12.085 5.847 8.600 1.00 0.00 C ATOM 138 C GLY A 14 11.677 5.942 10.072 1.00 0.00 C ATOM 139 O GLY A 14 12.462 6.375 10.913 1.00 0.00 O ATOM 0 H GLY A 14 10.868 4.619 7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.165 5.965 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.629 6.664 8.041 1.00 0.00 H new ATOM 143 N GLY A 15 10.434 5.560 10.371 1.00 0.00 N ATOM 144 CA GLY A 15 9.935 5.642 11.738 1.00 0.00 C ATOM 145 C GLY A 15 10.874 4.924 12.695 1.00 0.00 C ATOM 146 O GLY A 15 11.320 5.495 13.686 1.00 0.00 O ATOM 0 H GLY A 15 9.765 5.196 9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.836 6.687 12.033 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.941 5.199 11.795 1.00 0.00 H new ATOM 150 N VAL A 16 11.163 3.667 12.394 1.00 0.00 N ATOM 151 CA VAL A 16 12.045 2.885 13.245 1.00 0.00 C ATOM 152 C VAL A 16 13.315 3.673 13.544 1.00 0.00 C ATOM 153 O VAL A 16 13.712 3.803 14.699 1.00 0.00 O ATOM 154 CB VAL A 16 12.391 1.546 12.583 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.191 0.602 12.683 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.747 1.762 11.108 1.00 0.00 C ATOM 0 H VAL A 16 10.805 3.172 11.577 1.00 0.00 H new ATOM 0 HA VAL A 16 11.529 2.678 14.182 1.00 0.00 H new ATOM 0 HB VAL A 16 13.248 1.108 13.096 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.437 -0.350 12.212 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.945 0.436 13.732 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.335 1.047 12.176 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.991 0.804 10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.897 2.207 10.590 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.606 2.429 11.035 1.00 0.00 H new ATOM 166 N VAL A 17 13.950 4.190 12.504 1.00 0.00 N ATOM 167 CA VAL A 17 15.179 4.949 12.691 1.00 0.00 C ATOM 168 C VAL A 17 14.942 6.138 13.625 1.00 0.00 C ATOM 169 O VAL A 17 15.733 6.390 14.527 1.00 0.00 O ATOM 170 CB VAL A 17 15.692 5.459 11.341 1.00 0.00 C ATOM 171 CG1 VAL A 17 16.848 6.439 11.568 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.189 4.279 10.500 1.00 0.00 C ATOM 0 H VAL A 17 13.642 4.101 11.536 1.00 0.00 H new ATOM 0 HA VAL A 17 15.922 4.289 13.139 1.00 0.00 H new ATOM 0 HB VAL A 17 14.881 5.965 10.817 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.212 6.801 10.607 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.499 7.282 12.165 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.657 5.932 12.095 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.553 4.644 9.540 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.998 3.772 11.026 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.370 3.579 10.335 1.00 0.00 H new ATOM 182 N ILE A 18 13.860 6.867 13.403 1.00 0.00 N ATOM 183 CA ILE A 18 13.565 8.024 14.247 1.00 0.00 C ATOM 184 C ILE A 18 13.348 7.571 15.690 1.00 0.00 C ATOM 185 O ILE A 18 13.876 8.159 16.632 1.00 0.00 O ATOM 186 CB ILE A 18 12.318 8.737 13.722 1.00 0.00 C ATOM 187 CG1 ILE A 18 12.639 9.355 12.360 1.00 0.00 C ATOM 188 CG2 ILE A 18 11.903 9.841 14.698 1.00 0.00 C ATOM 189 CD1 ILE A 18 11.346 9.817 11.688 1.00 0.00 C ATOM 0 H ILE A 18 13.181 6.688 12.663 1.00 0.00 H new ATOM 0 HA ILE A 18 14.407 8.716 14.220 1.00 0.00 H new ATOM 0 HB ILE A 18 11.501 8.023 13.624 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.318 10.199 12.483 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.148 8.626 11.729 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.014 10.346 14.320 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.684 9.403 15.672 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.715 10.562 14.799 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.577 10.257 10.718 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.682 8.963 11.550 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.855 10.561 12.316 1.00 0.00 H new ATOM 201 N ALA A 19 12.555 6.521 15.836 1.00 0.00 N ATOM 202 CA ALA A 19 12.250 5.978 17.155 1.00 0.00 C ATOM 203 C ALA A 19 13.539 5.612 17.883 1.00 0.00 C ATOM 204 O ALA A 19 13.656 5.806 19.092 1.00 0.00 O ATOM 205 CB ALA A 19 11.357 4.742 17.031 1.00 0.00 C ATOM 0 H ALA A 19 12.111 6.028 15.062 1.00 0.00 H new ATOM 0 HA ALA A 19 11.720 6.739 17.727 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.139 4.349 18.024 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.425 5.015 16.536 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.870 3.980 16.444 1.00 0.00 H new ATOM 211 N THR A 20 14.506 5.080 17.142 1.00 0.00 N ATOM 212 CA THR A 20 15.780 4.695 17.738 1.00 0.00 C ATOM 213 C THR A 20 16.546 5.922 18.207 1.00 0.00 C ATOM 214 O THR A 20 17.373 5.832 19.103 1.00 0.00 O ATOM 215 CB THR A 20 16.635 3.917 16.720 1.00 0.00 C ATOM 216 OG1 THR A 20 17.029 4.790 15.674 1.00 0.00 O ATOM 217 CG2 THR A 20 15.840 2.747 16.107 1.00 0.00 C ATOM 0 H THR A 20 14.434 4.907 16.139 1.00 0.00 H new ATOM 0 HA THR A 20 15.571 4.057 18.597 1.00 0.00 H new ATOM 0 HB THR A 20 17.506 3.520 17.241 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.567 5.649 15.773 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.468 2.215 15.392 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.531 2.063 16.898 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.958 3.134 15.597 1.00 0.00 H new ATOM 225 N MET A 21 16.277 7.066 17.596 1.00 0.00 N ATOM 226 CA MET A 21 16.961 8.300 17.974 1.00 0.00 C ATOM 227 C MET A 21 16.341 8.934 19.219 1.00 0.00 C ATOM 228 O MET A 21 17.065 9.469 20.061 1.00 0.00 O ATOM 229 CB MET A 21 16.928 9.307 16.808 1.00 0.00 C ATOM 230 CG MET A 21 18.050 9.001 15.803 1.00 0.00 C ATOM 231 SD MET A 21 18.094 7.222 15.458 1.00 0.00 S ATOM 232 CE MET A 21 19.771 6.867 16.037 1.00 0.00 C ATOM 0 H MET A 21 15.597 7.169 16.843 1.00 0.00 H new ATOM 0 HA MET A 21 17.994 8.042 18.206 1.00 0.00 H new ATOM 0 HB2 MET A 21 15.961 9.262 16.308 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.041 10.321 17.192 1.00 0.00 H new ATOM 0 HG2 MET A 21 17.885 9.556 14.880 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.010 9.327 16.204 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.985 5.806 15.904 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.486 7.456 15.463 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.853 7.124 17.093 1.00 0.00 H new ATOM 242 N ILE A 22 15.012 8.902 19.340 1.00 0.00 N ATOM 243 CA ILE A 22 14.352 9.508 20.494 1.00 0.00 C ATOM 244 C ILE A 22 14.581 8.716 21.776 1.00 0.00 C ATOM 245 O ILE A 22 14.867 9.293 22.821 1.00 0.00 O ATOM 246 CB ILE A 22 12.852 9.603 20.226 1.00 0.00 C ATOM 247 CG1 ILE A 22 12.616 10.552 19.052 1.00 0.00 C ATOM 248 CG2 ILE A 22 12.139 10.153 21.470 1.00 0.00 C ATOM 249 CD1 ILE A 22 11.173 10.414 18.565 1.00 0.00 C ATOM 0 H ILE A 22 14.382 8.470 18.664 1.00 0.00 H new ATOM 0 HA ILE A 22 14.784 10.499 20.635 1.00 0.00 H new ATOM 0 HB ILE A 22 12.459 8.614 19.992 1.00 0.00 H new ATOM 0 HG12 ILE A 22 12.811 11.580 19.357 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.308 10.323 18.241 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.068 10.220 21.276 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.314 9.486 22.314 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.528 11.144 21.704 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.005 11.091 17.728 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.994 9.388 18.243 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.490 10.664 19.376 1.00 0.00 H new ATOM 261 N VAL A 23 14.414 7.401 21.712 1.00 0.00 N ATOM 262 CA VAL A 23 14.573 6.572 22.903 1.00 0.00 C ATOM 263 C VAL A 23 15.894 6.861 23.593 1.00 0.00 C ATOM 264 O VAL A 23 15.965 6.881 24.820 1.00 0.00 O ATOM 265 CB VAL A 23 14.513 5.102 22.502 1.00 0.00 C ATOM 266 CG1 VAL A 23 13.136 4.785 21.875 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.639 4.809 21.493 1.00 0.00 C ATOM 0 H VAL A 23 14.172 6.890 20.863 1.00 0.00 H new ATOM 0 HA VAL A 23 13.767 6.802 23.600 1.00 0.00 H new ATOM 0 HB VAL A 23 14.646 4.474 23.383 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.099 3.733 21.591 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.349 4.992 22.601 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.987 5.405 20.991 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.602 3.759 21.202 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.509 5.435 20.610 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.604 5.025 21.952 1.00 0.00 H new ATOM 277 N ILE A 24 16.937 7.113 22.811 1.00 0.00 N ATOM 278 CA ILE A 24 18.240 7.424 23.405 1.00 0.00 C ATOM 279 C ILE A 24 18.050 8.476 24.509 1.00 0.00 C ATOM 280 O ILE A 24 18.578 8.332 25.613 1.00 0.00 O ATOM 281 CB ILE A 24 19.216 7.936 22.306 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.042 6.769 21.727 1.00 0.00 C ATOM 283 CG2 ILE A 24 20.182 8.986 22.871 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.148 5.568 21.403 1.00 0.00 C ATOM 0 H ILE A 24 16.914 7.110 21.791 1.00 0.00 H new ATOM 0 HA ILE A 24 18.672 6.526 23.846 1.00 0.00 H new ATOM 0 HB ILE A 24 18.611 8.387 21.520 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.557 7.097 20.824 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.809 6.473 22.442 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.852 9.326 22.081 1.00 0.00 H new ATOM 0 HG22 ILE A 24 19.614 9.833 23.255 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.767 8.545 23.678 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.757 4.760 20.996 1.00 0.00 H new ATOM 0 HD12 ILE A 24 18.653 5.227 22.312 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.397 5.861 20.669 1.00 0.00 H new ATOM 296 N THR A 25 17.281 9.518 24.211 1.00 0.00 N ATOM 297 CA THR A 25 17.031 10.564 25.207 1.00 0.00 C ATOM 298 C THR A 25 16.346 9.950 26.438 1.00 0.00 C ATOM 299 O THR A 25 16.810 10.111 27.566 1.00 0.00 O ATOM 300 CB THR A 25 16.169 11.676 24.576 1.00 0.00 C ATOM 301 OG1 THR A 25 16.993 12.503 23.763 1.00 0.00 O ATOM 302 CG2 THR A 25 15.505 12.531 25.660 1.00 0.00 C ATOM 0 H THR A 25 16.827 9.664 23.309 1.00 0.00 H new ATOM 0 HA THR A 25 17.973 11.007 25.532 1.00 0.00 H new ATOM 0 HB THR A 25 15.389 11.213 23.972 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.449 13.210 23.358 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.902 13.309 25.191 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.867 11.901 26.280 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.273 12.992 26.281 1.00 0.00 H new ATOM 310 N LEU A 26 15.245 9.244 26.199 1.00 0.00 N ATOM 311 CA LEU A 26 14.487 8.592 27.276 1.00 0.00 C ATOM 312 C LEU A 26 15.425 7.757 28.149 1.00 0.00 C ATOM 313 O LEU A 26 15.325 7.765 29.376 1.00 0.00 O ATOM 314 CB LEU A 26 13.407 7.702 26.634 1.00 0.00 C ATOM 315 CG LEU A 26 12.640 6.856 27.681 1.00 0.00 C ATOM 316 CD1 LEU A 26 13.492 5.670 28.192 1.00 0.00 C ATOM 317 CD2 LEU A 26 12.204 7.743 28.863 1.00 0.00 C ATOM 0 H LEU A 26 14.852 9.105 25.268 1.00 0.00 H new ATOM 0 HA LEU A 26 14.016 9.341 27.913 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.701 8.328 26.089 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.873 7.038 25.905 1.00 0.00 H new ATOM 0 HG LEU A 26 11.757 6.445 27.193 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.920 5.100 28.925 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.755 5.024 27.355 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.402 6.049 28.657 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.666 7.138 29.593 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.084 8.181 29.333 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.553 8.538 28.500 1.00 0.00 H new ATOM 329 N VAL A 27 16.357 7.065 27.521 1.00 0.00 N ATOM 330 CA VAL A 27 17.303 6.266 28.282 1.00 0.00 C ATOM 331 C VAL A 27 18.193 7.185 29.122 1.00 0.00 C ATOM 332 O VAL A 27 18.108 7.196 30.348 1.00 0.00 O ATOM 333 CB VAL A 27 18.144 5.418 27.328 1.00 0.00 C ATOM 334 CG1 VAL A 27 19.132 4.583 28.139 1.00 0.00 C ATOM 335 CG2 VAL A 27 17.223 4.487 26.525 1.00 0.00 C ATOM 0 H VAL A 27 16.480 7.038 26.509 1.00 0.00 H new ATOM 0 HA VAL A 27 16.764 5.598 28.954 1.00 0.00 H new ATOM 0 HB VAL A 27 18.689 6.067 26.642 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.735 3.976 27.464 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.783 5.244 28.712 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.585 3.932 28.821 1.00 0.00 H new ATOM 0 HG21 VAL A 27 17.822 3.882 25.844 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.680 3.835 27.209 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.513 5.083 25.952 1.00 0.00 H new ATOM 345 N MET A 28 19.039 7.961 28.455 1.00 0.00 N ATOM 346 CA MET A 28 19.933 8.886 29.151 1.00 0.00 C ATOM 347 C MET A 28 19.173 9.719 30.182 1.00 0.00 C ATOM 348 O MET A 28 19.763 10.211 31.145 1.00 0.00 O ATOM 349 CB MET A 28 20.624 9.816 28.149 1.00 0.00 C ATOM 350 CG MET A 28 21.592 9.007 27.284 1.00 0.00 C ATOM 351 SD MET A 28 22.409 10.107 26.102 1.00 0.00 S ATOM 352 CE MET A 28 23.205 8.825 25.103 1.00 0.00 C ATOM 0 H MET A 28 19.127 7.971 27.439 1.00 0.00 H new ATOM 0 HA MET A 28 20.684 8.292 29.671 1.00 0.00 H new ATOM 0 HB2 MET A 28 19.881 10.307 27.520 1.00 0.00 H new ATOM 0 HB3 MET A 28 21.163 10.602 28.678 1.00 0.00 H new ATOM 0 HG2 MET A 28 22.334 8.516 27.913 1.00 0.00 H new ATOM 0 HG3 MET A 28 21.053 8.222 26.754 1.00 0.00 H new ATOM 0 HE1 MET A 28 23.290 9.168 24.072 1.00 0.00 H new ATOM 0 HE2 MET A 28 24.199 8.619 25.500 1.00 0.00 H new ATOM 0 HE3 MET A 28 22.606 7.915 25.135 1.00 0.00 H new ATOM 362 N LEU A 29 17.863 9.863 29.996 1.00 0.00 N ATOM 363 CA LEU A 29 17.054 10.624 30.944 1.00 0.00 C ATOM 364 C LEU A 29 16.878 9.849 32.247 1.00 0.00 C ATOM 365 O LEU A 29 16.668 10.452 33.299 1.00 0.00 O ATOM 366 CB LEU A 29 15.678 10.972 30.337 1.00 0.00 C ATOM 367 CG LEU A 29 15.763 12.275 29.516 1.00 0.00 C ATOM 368 CD1 LEU A 29 14.431 12.499 28.786 1.00 0.00 C ATOM 369 CD2 LEU A 29 16.053 13.480 30.449 1.00 0.00 C ATOM 0 H LEU A 29 17.345 9.469 29.210 1.00 0.00 H new ATOM 0 HA LEU A 29 17.578 11.554 31.162 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.338 10.155 29.700 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.941 11.084 31.132 1.00 0.00 H new ATOM 0 HG LEU A 29 16.573 12.189 28.791 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.485 13.419 28.204 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.236 11.659 28.120 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.625 12.578 29.516 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.110 14.393 29.857 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.252 13.573 31.183 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.000 13.322 30.964 1.00 0.00 H new ATOM 381 N LYS A 30 16.949 8.520 32.181 1.00 0.00 N ATOM 382 CA LYS A 30 16.778 7.707 33.382 1.00 0.00 C ATOM 383 C LYS A 30 17.593 8.278 34.544 1.00 0.00 C ATOM 384 O LYS A 30 17.386 7.895 35.697 1.00 0.00 O ATOM 385 CB LYS A 30 17.225 6.257 33.142 1.00 0.00 C ATOM 386 CG LYS A 30 16.240 5.540 32.213 1.00 0.00 C ATOM 387 CD LYS A 30 16.552 4.037 32.187 1.00 0.00 C ATOM 388 CE LYS A 30 18.032 3.811 31.868 1.00 0.00 C ATOM 389 NZ LYS A 30 18.226 2.417 31.376 1.00 0.00 N ATOM 0 H LYS A 30 17.120 7.992 31.325 1.00 0.00 H new ATOM 0 HA LYS A 30 15.717 7.723 33.629 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.223 6.245 32.703 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.289 5.728 34.093 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.218 5.703 32.555 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.309 5.953 31.206 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.308 3.591 33.151 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.932 3.542 31.440 1.00 0.00 H new ATOM 0 HE2 LYS A 30 18.366 4.524 31.114 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.637 3.982 32.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.231 2.262 31.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.923 1.745 32.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.660 2.270 30.516 1.00 0.00 H new ATOM 403 N LYS A 31 18.508 9.206 34.243 1.00 0.00 N ATOM 404 CA LYS A 31 19.336 9.833 35.280 1.00 0.00 C ATOM 405 C LYS A 31 18.752 11.190 35.675 1.00 0.00 C ATOM 406 O LYS A 31 19.444 12.033 36.246 1.00 0.00 O ATOM 407 CB LYS A 31 20.778 10.019 34.765 1.00 0.00 C ATOM 408 CG LYS A 31 21.762 10.093 35.944 1.00 0.00 C ATOM 409 CD LYS A 31 23.205 10.116 35.420 1.00 0.00 C ATOM 410 CE LYS A 31 23.507 11.460 34.746 1.00 0.00 C ATOM 411 NZ LYS A 31 24.981 11.625 34.613 1.00 0.00 N ATOM 0 H LYS A 31 18.694 9.538 33.297 1.00 0.00 H new ATOM 0 HA LYS A 31 19.349 9.183 36.155 1.00 0.00 H new ATOM 0 HB2 LYS A 31 21.047 9.190 34.110 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.844 10.930 34.170 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.567 10.987 36.536 1.00 0.00 H new ATOM 0 HG3 LYS A 31 21.619 9.237 36.603 1.00 0.00 H new ATOM 0 HD2 LYS A 31 23.900 9.950 36.243 1.00 0.00 H new ATOM 0 HD3 LYS A 31 23.353 9.304 34.709 1.00 0.00 H new ATOM 0 HE2 LYS A 31 23.035 11.502 33.764 1.00 0.00 H new ATOM 0 HE3 LYS A 31 23.090 12.277 35.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 25.189 12.536 34.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 25.419 11.603 35.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 25.366 10.852 34.034 1.00 0.00 H new ATOM 425 N LYS A 32 17.472 11.392 35.370 1.00 0.00 N ATOM 426 CA LYS A 32 16.804 12.643 35.700 1.00 0.00 C ATOM 427 C LYS A 32 15.292 12.499 35.557 1.00 0.00 C ATOM 428 O LYS A 32 14.841 12.247 34.451 1.00 0.00 O ATOM 429 CB LYS A 32 17.301 13.759 34.781 1.00 0.00 C ATOM 430 CG LYS A 32 16.738 15.095 35.259 1.00 0.00 C ATOM 431 CD LYS A 32 17.319 16.226 34.410 1.00 0.00 C ATOM 432 CE LYS A 32 16.784 17.569 34.911 1.00 0.00 C ATOM 433 NZ LYS A 32 15.318 17.650 34.656 1.00 0.00 N ATOM 0 H LYS A 32 16.882 10.708 34.897 1.00 0.00 H new ATOM 0 HA LYS A 32 17.037 12.894 36.735 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.391 13.789 34.783 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.989 13.566 33.754 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.651 15.091 35.184 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.984 15.251 36.309 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.408 16.213 34.465 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.051 16.084 33.363 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.984 17.677 35.977 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.297 18.387 34.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.008 18.641 34.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.111 17.286 33.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.811 17.080 35.363 1.00 0.00 H new ATOM 448 N LYS B 5 -6.174 -3.220 5.538 1.00 0.00 N ATOM 449 CA LYS B 5 -4.952 -2.373 5.443 1.00 0.00 C ATOM 450 C LYS B 5 -4.283 -2.313 6.811 1.00 0.00 C ATOM 451 O LYS B 5 -3.212 -1.725 6.965 1.00 0.00 O ATOM 452 CB LYS B 5 -5.342 -0.961 4.994 1.00 0.00 C ATOM 453 CG LYS B 5 -6.145 -1.017 3.685 1.00 0.00 C ATOM 454 CD LYS B 5 -5.273 -1.553 2.543 1.00 0.00 C ATOM 455 CE LYS B 5 -5.954 -1.265 1.204 1.00 0.00 C ATOM 456 NZ LYS B 5 -5.060 -1.691 0.089 1.00 0.00 N ATOM 0 HA LYS B 5 -4.261 -2.800 4.716 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.934 -0.476 5.770 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.446 -0.357 4.853 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -7.019 -1.656 3.814 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -6.512 -0.022 3.434 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.289 -1.084 2.571 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.119 -2.625 2.661 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -6.904 -1.796 1.146 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -6.178 -0.202 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -5.523 -1.495 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.164 -1.165 0.142 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -4.868 -2.710 0.168 1.00 0.00 H new ATOM 469 N GLY B 6 -4.920 -2.928 7.801 1.00 0.00 N ATOM 470 CA GLY B 6 -4.376 -2.942 9.152 1.00 0.00 C ATOM 471 C GLY B 6 -3.076 -3.727 9.200 1.00 0.00 C ATOM 472 O GLY B 6 -2.214 -3.478 10.042 1.00 0.00 O ATOM 0 H GLY B 6 -5.807 -3.420 7.694 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.202 -1.920 9.490 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.100 -3.385 9.836 1.00 0.00 H new ATOM 476 N ALA B 7 -2.938 -4.677 8.290 1.00 0.00 N ATOM 477 CA ALA B 7 -1.733 -5.483 8.236 1.00 0.00 C ATOM 478 C ALA B 7 -0.531 -4.614 7.878 1.00 0.00 C ATOM 479 O ALA B 7 0.572 -4.833 8.378 1.00 0.00 O ATOM 480 CB ALA B 7 -1.892 -6.599 7.201 1.00 0.00 C ATOM 0 H ALA B 7 -3.639 -4.907 7.585 1.00 0.00 H new ATOM 0 HA ALA B 7 -1.568 -5.928 9.217 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -0.982 -7.198 7.169 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -2.734 -7.234 7.477 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.073 -6.162 6.219 1.00 0.00 H new ATOM 486 N ILE B 8 -0.748 -3.630 7.004 1.00 0.00 N ATOM 487 CA ILE B 8 0.336 -2.745 6.584 1.00 0.00 C ATOM 488 C ILE B 8 0.870 -1.922 7.753 1.00 0.00 C ATOM 489 O ILE B 8 2.072 -1.910 8.016 1.00 0.00 O ATOM 490 CB ILE B 8 -0.161 -1.798 5.486 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.537 -2.610 4.245 1.00 0.00 C ATOM 492 CG2 ILE B 8 0.946 -0.804 5.120 1.00 0.00 C ATOM 493 CD1 ILE B 8 -1.299 -1.714 3.266 1.00 0.00 C ATOM 0 H ILE B 8 -1.653 -3.428 6.579 1.00 0.00 H new ATOM 0 HA ILE B 8 1.145 -3.368 6.203 1.00 0.00 H new ATOM 0 HB ILE B 8 -1.033 -1.254 5.849 1.00 0.00 H new ATOM 0 HG12 ILE B 8 0.360 -3.006 3.770 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -1.152 -3.464 4.528 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.589 -0.133 4.339 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.219 -0.223 6.001 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.819 -1.348 4.759 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -1.569 -2.289 2.380 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.204 -1.339 3.744 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.668 -0.874 2.975 1.00 0.00 H new ATOM 505 N ILE B 9 -0.027 -1.227 8.451 1.00 0.00 N ATOM 506 CA ILE B 9 0.379 -0.402 9.581 1.00 0.00 C ATOM 507 C ILE B 9 0.802 -1.279 10.756 1.00 0.00 C ATOM 508 O ILE B 9 1.802 -1.001 11.422 1.00 0.00 O ATOM 509 CB ILE B 9 -0.770 0.532 9.992 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.250 1.623 10.952 1.00 0.00 C ATOM 511 CG2 ILE B 9 -1.864 -0.278 10.685 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.365 2.781 10.156 1.00 0.00 C ATOM 0 H ILE B 9 -1.028 -1.220 8.255 1.00 0.00 H new ATOM 0 HA ILE B 9 1.233 0.206 9.283 1.00 0.00 H new ATOM 0 HB ILE B 9 -1.177 1.008 9.100 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -1.067 1.992 11.572 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.495 1.200 11.626 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.679 0.385 10.976 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.242 -1.038 10.002 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.453 -0.760 11.572 1.00 0.00 H new ATOM 0 HD11 ILE B 9 0.728 3.544 10.845 1.00 0.00 H new ATOM 0 HD12 ILE B 9 1.196 2.409 9.556 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -0.391 3.214 9.501 1.00 0.00 H new ATOM 524 N GLY B 10 0.027 -2.335 11.003 1.00 0.00 N ATOM 525 CA GLY B 10 0.314 -3.261 12.100 1.00 0.00 C ATOM 526 C GLY B 10 1.817 -3.451 12.278 1.00 0.00 C ATOM 527 O GLY B 10 2.343 -3.347 13.386 1.00 0.00 O ATOM 0 H GLY B 10 -0.803 -2.571 10.460 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.120 -2.880 13.025 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.156 -4.224 11.900 1.00 0.00 H new ATOM 531 N LEU B 11 2.502 -3.703 11.168 1.00 0.00 N ATOM 532 CA LEU B 11 3.948 -3.874 11.188 1.00 0.00 C ATOM 533 C LEU B 11 4.651 -2.533 11.400 1.00 0.00 C ATOM 534 O LEU B 11 5.663 -2.462 12.084 1.00 0.00 O ATOM 535 CB LEU B 11 4.413 -4.539 9.877 1.00 0.00 C ATOM 536 CG LEU B 11 4.357 -6.076 10.021 1.00 0.00 C ATOM 537 CD1 LEU B 11 4.201 -6.729 8.646 1.00 0.00 C ATOM 538 CD2 LEU B 11 5.657 -6.575 10.673 1.00 0.00 C ATOM 0 H LEU B 11 2.079 -3.793 10.244 1.00 0.00 H new ATOM 0 HA LEU B 11 4.215 -4.522 12.023 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.778 -4.219 9.051 1.00 0.00 H new ATOM 0 HB3 LEU B 11 5.429 -4.224 9.639 1.00 0.00 H new ATOM 0 HG LEU B 11 3.503 -6.343 10.643 1.00 0.00 H new ATOM 0 HD11 LEU B 11 4.163 -7.812 8.760 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.279 -6.380 8.180 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.050 -6.460 8.017 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.620 -7.660 10.776 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.507 -6.299 10.049 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.768 -6.121 11.658 1.00 0.00 H new ATOM 550 N MET B 12 4.119 -1.480 10.792 1.00 0.00 N ATOM 551 CA MET B 12 4.698 -0.157 10.902 1.00 0.00 C ATOM 552 C MET B 12 4.841 0.274 12.356 1.00 0.00 C ATOM 553 O MET B 12 5.949 0.519 12.835 1.00 0.00 O ATOM 554 CB MET B 12 3.781 0.813 10.165 1.00 0.00 C ATOM 555 CG MET B 12 4.485 2.132 9.917 1.00 0.00 C ATOM 556 SD MET B 12 4.555 3.091 11.455 1.00 0.00 S ATOM 557 CE MET B 12 6.337 3.425 11.482 1.00 0.00 C ATOM 0 H MET B 12 3.280 -1.523 10.214 1.00 0.00 H new ATOM 0 HA MET B 12 5.697 -0.163 10.467 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.470 0.377 9.216 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.877 0.982 10.750 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.493 1.952 9.544 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.957 2.697 9.149 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.589 3.982 12.384 1.00 0.00 H new ATOM 0 HE2 MET B 12 6.884 2.482 11.473 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.611 4.011 10.605 1.00 0.00 H new ATOM 567 N VAL B 13 3.720 0.371 13.050 1.00 0.00 N ATOM 568 CA VAL B 13 3.740 0.781 14.443 1.00 0.00 C ATOM 569 C VAL B 13 4.443 -0.259 15.302 1.00 0.00 C ATOM 570 O VAL B 13 4.934 0.052 16.385 1.00 0.00 O ATOM 571 CB VAL B 13 2.317 1.017 14.941 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.755 2.258 14.244 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.445 -0.200 14.609 1.00 0.00 C ATOM 0 H VAL B 13 2.792 0.173 12.676 1.00 0.00 H new ATOM 0 HA VAL B 13 4.297 1.715 14.521 1.00 0.00 H new ATOM 0 HB VAL B 13 2.321 1.165 16.021 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.737 2.440 14.590 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.378 3.121 14.479 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.749 2.098 13.166 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.430 -0.028 14.966 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.429 -0.353 13.530 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.856 -1.085 15.095 1.00 0.00 H new ATOM 583 N GLY B 14 4.501 -1.496 14.815 1.00 0.00 N ATOM 584 CA GLY B 14 5.164 -2.559 15.558 1.00 0.00 C ATOM 585 C GLY B 14 6.687 -2.438 15.466 1.00 0.00 C ATOM 586 O GLY B 14 7.389 -2.578 16.467 1.00 0.00 O ATOM 0 H GLY B 14 4.102 -1.783 13.921 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.857 -2.521 16.603 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.850 -3.528 15.169 1.00 0.00 H new ATOM 590 N GLY B 15 7.195 -2.207 14.254 1.00 0.00 N ATOM 591 CA GLY B 15 8.635 -2.107 14.054 1.00 0.00 C ATOM 592 C GLY B 15 9.239 -1.083 15.001 1.00 0.00 C ATOM 593 O GLY B 15 10.179 -1.379 15.731 1.00 0.00 O ATOM 0 H GLY B 15 6.637 -2.088 13.409 1.00 0.00 H new ATOM 0 HA2 GLY B 15 9.098 -3.080 14.219 1.00 0.00 H new ATOM 0 HA3 GLY B 15 8.845 -1.824 13.023 1.00 0.00 H new ATOM 597 N VAL B 16 8.694 0.123 14.977 1.00 0.00 N ATOM 598 CA VAL B 16 9.199 1.181 15.838 1.00 0.00 C ATOM 599 C VAL B 16 9.328 0.674 17.267 1.00 0.00 C ATOM 600 O VAL B 16 10.374 0.828 17.895 1.00 0.00 O ATOM 601 CB VAL B 16 8.279 2.408 15.788 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.493 3.156 14.471 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.812 1.975 15.892 1.00 0.00 C ATOM 0 H VAL B 16 7.912 0.392 14.379 1.00 0.00 H new ATOM 0 HA VAL B 16 10.184 1.479 15.479 1.00 0.00 H new ATOM 0 HB VAL B 16 8.519 3.062 16.627 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.839 4.027 14.437 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.532 3.479 14.401 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.261 2.495 13.636 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.169 2.855 15.855 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.568 1.313 15.061 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.654 1.449 16.834 1.00 0.00 H new ATOM 613 N VAL B 17 8.265 0.078 17.783 1.00 0.00 N ATOM 614 CA VAL B 17 8.288 -0.430 19.148 1.00 0.00 C ATOM 615 C VAL B 17 9.419 -1.445 19.329 1.00 0.00 C ATOM 616 O VAL B 17 10.151 -1.396 20.310 1.00 0.00 O ATOM 617 CB VAL B 17 6.949 -1.097 19.484 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.060 -1.822 20.829 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.852 -0.032 19.576 1.00 0.00 C ATOM 0 H VAL B 17 7.386 -0.065 17.286 1.00 0.00 H new ATOM 0 HA VAL B 17 8.456 0.411 19.821 1.00 0.00 H new ATOM 0 HB VAL B 17 6.699 -1.813 18.701 1.00 0.00 H new ATOM 0 HG11 VAL B 17 6.108 -2.296 21.067 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.839 -2.582 20.769 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.313 -1.104 21.609 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.901 -0.509 19.815 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.105 0.685 20.357 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.768 0.487 18.621 1.00 0.00 H new ATOM 629 N ILE B 18 9.553 -2.362 18.384 1.00 0.00 N ATOM 630 CA ILE B 18 10.606 -3.371 18.485 1.00 0.00 C ATOM 631 C ILE B 18 11.975 -2.695 18.464 1.00 0.00 C ATOM 632 O ILE B 18 12.855 -3.003 19.267 1.00 0.00 O ATOM 633 CB ILE B 18 10.484 -4.359 17.323 1.00 0.00 C ATOM 634 CG1 ILE B 18 9.192 -5.162 17.492 1.00 0.00 C ATOM 635 CG2 ILE B 18 11.681 -5.312 17.327 1.00 0.00 C ATOM 636 CD1 ILE B 18 8.900 -5.937 16.208 1.00 0.00 C ATOM 0 H ILE B 18 8.963 -2.433 17.555 1.00 0.00 H new ATOM 0 HA ILE B 18 10.498 -3.914 19.424 1.00 0.00 H new ATOM 0 HB ILE B 18 10.465 -3.816 16.378 1.00 0.00 H new ATOM 0 HG12 ILE B 18 9.287 -5.851 18.331 1.00 0.00 H new ATOM 0 HG13 ILE B 18 8.363 -4.493 17.721 1.00 0.00 H new ATOM 0 HG21 ILE B 18 11.590 -6.014 16.498 1.00 0.00 H new ATOM 0 HG22 ILE B 18 12.602 -4.740 17.218 1.00 0.00 H new ATOM 0 HG23 ILE B 18 11.705 -5.863 18.267 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.980 -6.509 16.329 1.00 0.00 H new ATOM 0 HD12 ILE B 18 8.787 -5.238 15.379 1.00 0.00 H new ATOM 0 HD13 ILE B 18 9.725 -6.618 15.998 1.00 0.00 H new ATOM 648 N ALA B 19 12.135 -1.775 17.524 1.00 0.00 N ATOM 649 CA ALA B 19 13.390 -1.049 17.377 1.00 0.00 C ATOM 650 C ALA B 19 13.749 -0.355 18.686 1.00 0.00 C ATOM 651 O ALA B 19 14.918 -0.299 19.068 1.00 0.00 O ATOM 652 CB ALA B 19 13.280 -0.015 16.256 1.00 0.00 C ATOM 0 H ALA B 19 11.413 -1.513 16.852 1.00 0.00 H new ATOM 0 HA ALA B 19 14.175 -1.761 17.122 1.00 0.00 H new ATOM 0 HB1 ALA B 19 14.226 0.519 16.159 1.00 0.00 H new ATOM 0 HB2 ALA B 19 13.050 -0.519 15.317 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.486 0.694 16.491 1.00 0.00 H new ATOM 658 N THR B 20 12.742 0.176 19.370 1.00 0.00 N ATOM 659 CA THR B 20 12.974 0.861 20.636 1.00 0.00 C ATOM 660 C THR B 20 13.442 -0.117 21.701 1.00 0.00 C ATOM 661 O THR B 20 14.105 0.270 22.651 1.00 0.00 O ATOM 662 CB THR B 20 11.686 1.558 21.115 1.00 0.00 C ATOM 663 OG1 THR B 20 10.725 0.575 21.463 1.00 0.00 O ATOM 664 CG2 THR B 20 11.094 2.452 20.009 1.00 0.00 C ATOM 0 H THR B 20 11.767 0.146 19.073 1.00 0.00 H new ATOM 0 HA THR B 20 13.751 1.608 20.474 1.00 0.00 H new ATOM 0 HB THR B 20 11.934 2.179 21.976 1.00 0.00 H new ATOM 0 HG1 THR B 20 11.010 -0.297 21.119 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.186 2.931 20.375 1.00 0.00 H new ATOM 0 HG22 THR B 20 11.820 3.216 19.731 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.856 1.843 19.137 1.00 0.00 H new ATOM 672 N MET B 21 13.088 -1.384 21.546 1.00 0.00 N ATOM 673 CA MET B 21 13.487 -2.402 22.515 1.00 0.00 C ATOM 674 C MET B 21 14.920 -2.880 22.280 1.00 0.00 C ATOM 675 O MET B 21 15.650 -3.127 23.241 1.00 0.00 O ATOM 676 CB MET B 21 12.523 -3.602 22.458 1.00 0.00 C ATOM 677 CG MET B 21 11.261 -3.318 23.290 1.00 0.00 C ATOM 678 SD MET B 21 10.642 -1.655 22.921 1.00 0.00 S ATOM 679 CE MET B 21 10.780 -0.933 24.576 1.00 0.00 C ATOM 0 H MET B 21 12.530 -1.733 20.767 1.00 0.00 H new ATOM 0 HA MET B 21 13.443 -1.945 23.503 1.00 0.00 H new ATOM 0 HB2 MET B 21 12.246 -3.805 21.423 1.00 0.00 H new ATOM 0 HB3 MET B 21 13.021 -4.495 22.835 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.493 -4.059 23.067 1.00 0.00 H new ATOM 0 HG3 MET B 21 11.488 -3.404 24.353 1.00 0.00 H new ATOM 0 HE1 MET B 21 10.440 0.102 24.551 1.00 0.00 H new ATOM 0 HE2 MET B 21 10.163 -1.500 25.273 1.00 0.00 H new ATOM 0 HE3 MET B 21 11.820 -0.966 24.902 1.00 0.00 H new ATOM 689 N ILE B 22 15.326 -3.036 21.018 1.00 0.00 N ATOM 690 CA ILE B 22 16.675 -3.509 20.720 1.00 0.00 C ATOM 691 C ILE B 22 17.739 -2.463 21.032 1.00 0.00 C ATOM 692 O ILE B 22 18.769 -2.780 21.619 1.00 0.00 O ATOM 693 CB ILE B 22 16.764 -3.889 19.244 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.830 -5.068 18.977 1.00 0.00 C ATOM 695 CG2 ILE B 22 18.204 -4.295 18.901 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.667 -5.258 17.469 1.00 0.00 C ATOM 0 H ILE B 22 14.749 -2.845 20.199 1.00 0.00 H new ATOM 0 HA ILE B 22 16.865 -4.375 21.355 1.00 0.00 H new ATOM 0 HB ILE B 22 16.474 -3.037 18.629 1.00 0.00 H new ATOM 0 HG12 ILE B 22 16.234 -5.975 19.427 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.859 -4.888 19.439 1.00 0.00 H new ATOM 0 HG21 ILE B 22 18.264 -4.566 17.847 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.875 -3.459 19.100 1.00 0.00 H new ATOM 0 HG23 ILE B 22 18.497 -5.149 19.512 1.00 0.00 H new ATOM 0 HD11 ILE B 22 15.001 -6.099 17.278 1.00 0.00 H new ATOM 0 HD12 ILE B 22 15.244 -4.354 17.032 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.640 -5.457 17.020 1.00 0.00 H new ATOM 708 N VAL B 23 17.515 -1.227 20.603 1.00 0.00 N ATOM 709 CA VAL B 23 18.501 -0.175 20.821 1.00 0.00 C ATOM 710 C VAL B 23 18.918 -0.118 22.281 1.00 0.00 C ATOM 711 O VAL B 23 20.086 0.107 22.587 1.00 0.00 O ATOM 712 CB VAL B 23 17.907 1.167 20.403 1.00 0.00 C ATOM 713 CG1 VAL B 23 17.564 1.140 18.897 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.641 1.438 21.235 1.00 0.00 C ATOM 0 H VAL B 23 16.673 -0.931 20.109 1.00 0.00 H new ATOM 0 HA VAL B 23 19.384 -0.393 20.221 1.00 0.00 H new ATOM 0 HB VAL B 23 18.631 1.963 20.580 1.00 0.00 H new ATOM 0 HG11 VAL B 23 17.140 2.100 18.603 1.00 0.00 H new ATOM 0 HG12 VAL B 23 18.470 0.952 18.321 1.00 0.00 H new ATOM 0 HG13 VAL B 23 16.840 0.349 18.703 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.211 2.396 20.942 1.00 0.00 H new ATOM 0 HG22 VAL B 23 15.914 0.645 21.060 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.900 1.466 22.293 1.00 0.00 H new ATOM 724 N ILE B 24 17.971 -0.345 23.185 1.00 0.00 N ATOM 725 CA ILE B 24 18.301 -0.328 24.612 1.00 0.00 C ATOM 726 C ILE B 24 19.567 -1.169 24.846 1.00 0.00 C ATOM 727 O ILE B 24 20.490 -0.739 25.539 1.00 0.00 O ATOM 728 CB ILE B 24 17.106 -0.880 25.442 1.00 0.00 C ATOM 729 CG1 ILE B 24 16.184 0.271 25.897 1.00 0.00 C ATOM 730 CG2 ILE B 24 17.595 -1.637 26.685 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.889 1.232 24.740 1.00 0.00 C ATOM 0 H ILE B 24 16.993 -0.538 22.968 1.00 0.00 H new ATOM 0 HA ILE B 24 18.491 0.695 24.935 1.00 0.00 H new ATOM 0 HB ILE B 24 16.555 -1.565 24.798 1.00 0.00 H new ATOM 0 HG12 ILE B 24 15.250 -0.138 26.282 1.00 0.00 H new ATOM 0 HG13 ILE B 24 16.654 0.816 26.716 1.00 0.00 H new ATOM 0 HG21 ILE B 24 16.737 -2.011 27.244 1.00 0.00 H new ATOM 0 HG22 ILE B 24 18.221 -2.475 26.378 1.00 0.00 H new ATOM 0 HG23 ILE B 24 18.175 -0.964 27.316 1.00 0.00 H new ATOM 0 HD11 ILE B 24 15.237 2.033 25.089 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.823 1.658 24.374 1.00 0.00 H new ATOM 0 HD13 ILE B 24 15.397 0.690 23.933 1.00 0.00 H new ATOM 743 N THR B 25 19.610 -2.356 24.248 1.00 0.00 N ATOM 744 CA THR B 25 20.781 -3.223 24.400 1.00 0.00 C ATOM 745 C THR B 25 22.026 -2.506 23.856 1.00 0.00 C ATOM 746 O THR B 25 23.037 -2.381 24.548 1.00 0.00 O ATOM 747 CB THR B 25 20.532 -4.556 23.668 1.00 0.00 C ATOM 748 OG1 THR B 25 19.692 -5.381 24.467 1.00 0.00 O ATOM 749 CG2 THR B 25 21.852 -5.286 23.399 1.00 0.00 C ATOM 0 H THR B 25 18.865 -2.737 23.664 1.00 0.00 H new ATOM 0 HA THR B 25 20.951 -3.442 25.454 1.00 0.00 H new ATOM 0 HB THR B 25 20.052 -4.344 22.713 1.00 0.00 H new ATOM 0 HG1 THR B 25 19.530 -6.229 24.004 1.00 0.00 H new ATOM 0 HG21 THR B 25 21.650 -6.224 22.882 1.00 0.00 H new ATOM 0 HG22 THR B 25 22.494 -4.660 22.779 1.00 0.00 H new ATOM 0 HG23 THR B 25 22.352 -5.494 24.345 1.00 0.00 H new ATOM 757 N LEU B 26 21.932 -2.038 22.616 1.00 0.00 N ATOM 758 CA LEU B 26 23.038 -1.324 21.965 1.00 0.00 C ATOM 759 C LEU B 26 23.546 -0.203 22.873 1.00 0.00 C ATOM 760 O LEU B 26 24.751 0.003 23.012 1.00 0.00 O ATOM 761 CB LEU B 26 22.523 -0.752 20.631 1.00 0.00 C ATOM 762 CG LEU B 26 23.575 0.142 19.928 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.701 1.523 20.618 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.942 -0.566 19.906 1.00 0.00 C ATOM 0 H LEU B 26 21.100 -2.138 22.035 1.00 0.00 H new ATOM 0 HA LEU B 26 23.869 -2.004 21.777 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.247 -1.573 19.969 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.619 -0.171 20.813 1.00 0.00 H new ATOM 0 HG LEU B 26 23.239 0.310 18.905 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.448 2.123 20.098 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.739 2.034 20.587 1.00 0.00 H new ATOM 0 HD13 LEU B 26 24.005 1.385 21.656 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.674 0.071 19.410 1.00 0.00 H new ATOM 0 HD22 LEU B 26 25.266 -0.763 20.928 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.855 -1.508 19.365 1.00 0.00 H new ATOM 776 N VAL B 27 22.632 0.496 23.518 1.00 0.00 N ATOM 777 CA VAL B 27 23.035 1.562 24.418 1.00 0.00 C ATOM 778 C VAL B 27 23.787 0.968 25.611 1.00 0.00 C ATOM 779 O VAL B 27 24.989 1.173 25.764 1.00 0.00 O ATOM 780 CB VAL B 27 21.802 2.337 24.883 1.00 0.00 C ATOM 781 CG1 VAL B 27 22.240 3.456 25.826 1.00 0.00 C ATOM 782 CG2 VAL B 27 21.089 2.944 23.665 1.00 0.00 C ATOM 0 H VAL B 27 21.625 0.351 23.440 1.00 0.00 H new ATOM 0 HA VAL B 27 23.699 2.252 23.898 1.00 0.00 H new ATOM 0 HB VAL B 27 21.120 1.664 25.403 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.365 4.013 26.161 1.00 0.00 H new ATOM 0 HG12 VAL B 27 22.749 3.026 26.689 1.00 0.00 H new ATOM 0 HG13 VAL B 27 22.919 4.129 25.302 1.00 0.00 H new ATOM 0 HG21 VAL B 27 20.210 3.497 23.996 1.00 0.00 H new ATOM 0 HG22 VAL B 27 21.768 3.620 23.145 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.783 2.147 22.988 1.00 0.00 H new ATOM 792 N MET B 28 23.074 0.224 26.449 1.00 0.00 N ATOM 793 CA MET B 28 23.688 -0.403 27.621 1.00 0.00 C ATOM 794 C MET B 28 24.975 -1.133 27.246 1.00 0.00 C ATOM 795 O MET B 28 25.846 -1.337 28.093 1.00 0.00 O ATOM 796 CB MET B 28 22.710 -1.386 28.274 1.00 0.00 C ATOM 797 CG MET B 28 21.542 -0.612 28.888 1.00 0.00 C ATOM 798 SD MET B 28 20.385 -1.773 29.658 1.00 0.00 S ATOM 799 CE MET B 28 19.057 -0.589 29.993 1.00 0.00 C ATOM 0 H MET B 28 22.077 0.039 26.343 1.00 0.00 H new ATOM 0 HA MET B 28 23.933 0.388 28.330 1.00 0.00 H new ATOM 0 HB2 MET B 28 22.341 -2.095 27.533 1.00 0.00 H new ATOM 0 HB3 MET B 28 23.220 -1.966 29.043 1.00 0.00 H new ATOM 0 HG2 MET B 28 21.911 0.096 29.630 1.00 0.00 H new ATOM 0 HG3 MET B 28 21.033 -0.031 28.119 1.00 0.00 H new ATOM 0 HE1 MET B 28 18.105 -1.116 30.048 1.00 0.00 H new ATOM 0 HE2 MET B 28 19.249 -0.086 30.941 1.00 0.00 H new ATOM 0 HE3 MET B 28 19.017 0.149 29.192 1.00 0.00 H new ATOM 809 N LEU B 29 25.108 -1.515 25.979 1.00 0.00 N ATOM 810 CA LEU B 29 26.315 -2.202 25.527 1.00 0.00 C ATOM 811 C LEU B 29 27.493 -1.233 25.457 1.00 0.00 C ATOM 812 O LEU B 29 28.644 -1.651 25.569 1.00 0.00 O ATOM 813 CB LEU B 29 26.085 -2.866 24.152 1.00 0.00 C ATOM 814 CG LEU B 29 25.479 -4.274 24.329 1.00 0.00 C ATOM 815 CD1 LEU B 29 25.098 -4.835 22.953 1.00 0.00 C ATOM 816 CD2 LEU B 29 26.500 -5.220 25.010 1.00 0.00 C ATOM 0 H LEU B 29 24.406 -1.364 25.255 1.00 0.00 H new ATOM 0 HA LEU B 29 26.551 -2.982 26.251 1.00 0.00 H new ATOM 0 HB2 LEU B 29 25.418 -2.249 23.550 1.00 0.00 H new ATOM 0 HB3 LEU B 29 27.029 -2.935 23.612 1.00 0.00 H new ATOM 0 HG LEU B 29 24.593 -4.204 24.960 1.00 0.00 H new ATOM 0 HD11 LEU B 29 24.669 -5.830 23.072 1.00 0.00 H new ATOM 0 HD12 LEU B 29 24.366 -4.178 22.482 1.00 0.00 H new ATOM 0 HD13 LEU B 29 25.987 -4.896 22.326 1.00 0.00 H new ATOM 0 HD21 LEU B 29 26.057 -6.209 25.128 1.00 0.00 H new ATOM 0 HD22 LEU B 29 27.395 -5.294 24.393 1.00 0.00 H new ATOM 0 HD23 LEU B 29 26.767 -4.823 25.989 1.00 0.00 H new ATOM 828 N LYS B 30 27.211 0.054 25.256 1.00 0.00 N ATOM 829 CA LYS B 30 28.282 1.043 25.163 1.00 0.00 C ATOM 830 C LYS B 30 29.310 0.837 26.277 1.00 0.00 C ATOM 831 O LYS B 30 30.407 1.394 26.226 1.00 0.00 O ATOM 832 CB LYS B 30 27.732 2.472 25.268 1.00 0.00 C ATOM 833 CG LYS B 30 26.948 2.838 24.004 1.00 0.00 C ATOM 834 CD LYS B 30 26.625 4.339 24.011 1.00 0.00 C ATOM 835 CE LYS B 30 25.956 4.728 25.331 1.00 0.00 C ATOM 836 NZ LYS B 30 25.225 6.016 25.157 1.00 0.00 N ATOM 0 H LYS B 30 26.268 0.430 25.156 1.00 0.00 H new ATOM 0 HA LYS B 30 28.756 0.908 24.191 1.00 0.00 H new ATOM 0 HB2 LYS B 30 27.085 2.556 26.141 1.00 0.00 H new ATOM 0 HB3 LYS B 30 28.553 3.175 25.410 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.530 2.586 23.118 1.00 0.00 H new ATOM 0 HG3 LYS B 30 26.026 2.258 23.956 1.00 0.00 H new ATOM 0 HD2 LYS B 30 27.540 4.916 23.874 1.00 0.00 H new ATOM 0 HD3 LYS B 30 25.967 4.581 23.176 1.00 0.00 H new ATOM 0 HE2 LYS B 30 25.266 3.945 25.646 1.00 0.00 H new ATOM 0 HE3 LYS B 30 26.706 4.826 26.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 24.770 6.281 26.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 25.895 6.760 24.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 24.499 5.907 24.420 1.00 0.00 H new ATOM 850 N LYS B 31 28.958 0.024 27.281 1.00 0.00 N ATOM 851 CA LYS B 31 29.870 -0.258 28.395 1.00 0.00 C ATOM 852 C LYS B 31 30.584 -1.592 28.171 1.00 0.00 C ATOM 853 O LYS B 31 31.106 -2.194 29.108 1.00 0.00 O ATOM 854 CB LYS B 31 29.084 -0.307 29.721 1.00 0.00 C ATOM 855 CG LYS B 31 30.014 0.000 30.907 1.00 0.00 C ATOM 856 CD LYS B 31 29.195 0.107 32.201 1.00 0.00 C ATOM 857 CE LYS B 31 28.677 -1.275 32.620 1.00 0.00 C ATOM 858 NZ LYS B 31 28.248 -1.229 34.047 1.00 0.00 N ATOM 0 H LYS B 31 28.055 -0.447 27.344 1.00 0.00 H new ATOM 0 HA LYS B 31 30.613 0.538 28.446 1.00 0.00 H new ATOM 0 HB2 LYS B 31 28.268 0.415 29.694 1.00 0.00 H new ATOM 0 HB3 LYS B 31 28.634 -1.292 29.849 1.00 0.00 H new ATOM 0 HG2 LYS B 31 30.764 -0.785 31.005 1.00 0.00 H new ATOM 0 HG3 LYS B 31 30.550 0.932 30.728 1.00 0.00 H new ATOM 0 HD2 LYS B 31 29.811 0.528 32.995 1.00 0.00 H new ATOM 0 HD3 LYS B 31 28.357 0.788 32.053 1.00 0.00 H new ATOM 0 HE2 LYS B 31 27.841 -1.570 31.986 1.00 0.00 H new ATOM 0 HE3 LYS B 31 29.457 -2.024 32.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 27.896 -2.165 34.334 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 29.057 -0.965 34.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 27.491 -0.525 34.159 1.00 0.00 H new ATOM 872 N LYS B 32 30.604 -2.045 26.919 1.00 0.00 N ATOM 873 CA LYS B 32 31.260 -3.301 26.580 1.00 0.00 C ATOM 874 C LYS B 32 31.435 -3.425 25.070 1.00 0.00 C ATOM 875 O LYS B 32 30.432 -3.433 24.374 1.00 0.00 O ATOM 876 CB LYS B 32 30.434 -4.478 27.098 1.00 0.00 C ATOM 877 CG LYS B 32 31.224 -5.771 26.909 1.00 0.00 C ATOM 878 CD LYS B 32 30.449 -6.938 27.524 1.00 0.00 C ATOM 879 CE LYS B 32 31.253 -8.229 27.363 1.00 0.00 C ATOM 880 NZ LYS B 32 31.347 -8.582 25.918 1.00 0.00 N ATOM 0 H LYS B 32 30.176 -1.563 26.129 1.00 0.00 H new ATOM 0 HA LYS B 32 32.243 -3.313 27.050 1.00 0.00 H new ATOM 0 HB2 LYS B 32 30.196 -4.334 28.152 1.00 0.00 H new ATOM 0 HB3 LYS B 32 29.486 -4.536 26.563 1.00 0.00 H new ATOM 0 HG2 LYS B 32 31.395 -5.953 25.848 1.00 0.00 H new ATOM 0 HG3 LYS B 32 32.203 -5.683 27.379 1.00 0.00 H new ATOM 0 HD2 LYS B 32 30.259 -6.745 28.580 1.00 0.00 H new ATOM 0 HD3 LYS B 32 29.478 -7.039 27.039 1.00 0.00 H new ATOM 0 HE2 LYS B 32 32.251 -8.103 27.783 1.00 0.00 H new ATOM 0 HE3 LYS B 32 30.775 -9.038 27.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 31.629 -9.578 25.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 30.422 -8.439 25.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 32.055 -7.975 25.458 1.00 0.00 H new