USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 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 -26:sc= 0.935 USER MOD Set 1.2: B 21 MET CE :methyl -158:sc= -0.0254 (180deg=-0.194) USER MOD Set 2.1: A 20 THR OG1 : rot -40:sc= 1.08 USER MOD Set 2.2: A 21 MET CE :methyl -158:sc= -0.0256 (180deg=-0.186) USER MOD Single : A 5 LYS NZ :NH3+ -165:sc= -0.0118 (180deg=-0.299) USER MOD Single : A 12 MET CE :methyl -160:sc= -0.635 (180deg=-1.47) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 154:sc= -0.19 (180deg=-1.18) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -164:sc= -0.0209 (180deg=-0.303) USER MOD Single : B 12 MET CE :methyl -159:sc= -0.651 (180deg=-1.5) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 152:sc= -0.174 (180deg=-1.12) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 5.719 0.004 -4.459 1.00 0.00 N ATOM 2 CA LYS A 5 5.171 0.435 -3.141 1.00 0.00 C ATOM 3 C LYS A 5 6.322 0.768 -2.200 1.00 0.00 C ATOM 4 O LYS A 5 6.251 0.506 -1.000 1.00 0.00 O ATOM 5 CB LYS A 5 4.323 -0.692 -2.550 1.00 0.00 C ATOM 6 CG LYS A 5 3.096 -0.923 -3.433 1.00 0.00 C ATOM 7 CD LYS A 5 2.269 -2.079 -2.865 1.00 0.00 C ATOM 8 CE LYS A 5 1.090 -2.366 -3.796 1.00 0.00 C ATOM 9 NZ LYS A 5 0.148 -1.213 -3.772 1.00 0.00 N ATOM 0 HA LYS A 5 4.548 1.320 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.912 -1.607 -2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.012 -0.435 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.491 -0.017 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.406 -1.150 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.890 -2.969 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.907 -1.826 -1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.448 -2.536 -4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.577 -3.275 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.760 -1.498 -4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.004 -0.909 -2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.549 -0.425 -4.320 1.00 0.00 H new ATOM 22 N GLY A 6 7.384 1.343 -2.754 1.00 0.00 N ATOM 23 CA GLY A 6 8.545 1.705 -1.952 1.00 0.00 C ATOM 24 C GLY A 6 8.182 2.762 -0.920 1.00 0.00 C ATOM 25 O GLY A 6 8.725 2.784 0.183 1.00 0.00 O ATOM 0 H GLY A 6 7.464 1.566 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.936 0.820 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.337 2.080 -2.600 1.00 0.00 H new ATOM 29 N ALA A 7 7.259 3.636 -1.286 1.00 0.00 N ATOM 30 CA ALA A 7 6.827 4.689 -0.384 1.00 0.00 C ATOM 31 C ALA A 7 6.185 4.092 0.864 1.00 0.00 C ATOM 32 O ALA A 7 6.296 4.650 1.956 1.00 0.00 O ATOM 33 CB ALA A 7 5.825 5.606 -1.088 1.00 0.00 C ATOM 0 H ALA A 7 6.797 3.637 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 7 7.701 5.270 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.507 6.392 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.295 6.055 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.957 5.025 -1.401 1.00 0.00 H new ATOM 39 N ILE A 8 5.506 2.958 0.698 1.00 0.00 N ATOM 40 CA ILE A 8 4.847 2.311 1.829 1.00 0.00 C ATOM 41 C ILE A 8 5.875 1.752 2.811 1.00 0.00 C ATOM 42 O ILE A 8 5.838 2.065 4.000 1.00 0.00 O ATOM 43 CB ILE A 8 3.931 1.183 1.326 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.707 1.790 0.624 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.451 0.328 2.506 1.00 0.00 C ATOM 46 CD1 ILE A 8 3.139 2.559 -0.628 1.00 0.00 C ATOM 0 H ILE A 8 5.399 2.475 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 8 4.247 3.057 2.350 1.00 0.00 H new ATOM 0 HB ILE A 8 4.491 0.560 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.007 1.000 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.182 2.458 1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.803 -0.468 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.312 -0.109 3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.897 0.953 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.261 2.984 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.821 3.361 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.643 1.880 -1.316 1.00 0.00 H new ATOM 58 N ILE A 9 6.790 0.921 2.315 1.00 0.00 N ATOM 59 CA ILE A 9 7.803 0.339 3.184 1.00 0.00 C ATOM 60 C ILE A 9 8.789 1.413 3.640 1.00 0.00 C ATOM 61 O ILE A 9 9.181 1.452 4.804 1.00 0.00 O ATOM 62 CB ILE A 9 8.542 -0.800 2.459 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.344 -1.642 3.476 1.00 0.00 C ATOM 64 CG2 ILE A 9 9.495 -0.215 1.415 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.436 -2.687 4.141 1.00 0.00 C ATOM 0 H ILE A 9 6.849 0.642 1.336 1.00 0.00 H new ATOM 0 HA ILE A 9 7.311 -0.076 4.064 1.00 0.00 H new ATOM 0 HB ILE A 9 7.810 -1.439 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.173 -2.139 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.777 -0.991 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.016 -1.025 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.927 0.366 0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.222 0.431 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.016 -3.272 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.622 -2.183 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.024 -3.349 3.379 1.00 0.00 H new ATOM 77 N GLY A 10 9.177 2.282 2.705 1.00 0.00 N ATOM 78 CA GLY A 10 10.120 3.368 2.997 1.00 0.00 C ATOM 79 C GLY A 10 9.926 3.894 4.418 1.00 0.00 C ATOM 80 O GLY A 10 10.838 3.842 5.242 1.00 0.00 O ATOM 0 H GLY A 10 8.854 2.257 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.142 3.010 2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.979 4.179 2.283 1.00 0.00 H new ATOM 84 N LEU A 11 8.732 4.402 4.688 1.00 0.00 N ATOM 85 CA LEU A 11 8.412 4.939 6.007 1.00 0.00 C ATOM 86 C LEU A 11 8.467 3.853 7.073 1.00 0.00 C ATOM 87 O LEU A 11 8.741 4.132 8.233 1.00 0.00 O ATOM 88 CB LEU A 11 7.024 5.574 5.992 1.00 0.00 C ATOM 89 CG LEU A 11 7.050 6.836 5.123 1.00 0.00 C ATOM 90 CD1 LEU A 11 5.617 7.321 4.913 1.00 0.00 C ATOM 91 CD2 LEU A 11 7.888 7.942 5.802 1.00 0.00 C ATOM 0 H LEU A 11 7.968 4.455 4.014 1.00 0.00 H new ATOM 0 HA LEU A 11 9.157 5.697 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.293 4.866 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.716 5.825 7.007 1.00 0.00 H new ATOM 0 HG LEU A 11 7.507 6.604 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.624 8.219 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.039 6.543 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.164 7.548 5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.896 8.831 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.451 8.187 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.909 7.589 5.944 1.00 0.00 H new ATOM 103 N MET A 12 8.187 2.621 6.684 1.00 0.00 N ATOM 104 CA MET A 12 8.204 1.510 7.615 1.00 0.00 C ATOM 105 C MET A 12 9.617 1.243 8.134 1.00 0.00 C ATOM 106 O MET A 12 9.887 1.358 9.328 1.00 0.00 O ATOM 107 CB MET A 12 7.673 0.281 6.873 1.00 0.00 C ATOM 108 CG MET A 12 7.079 -0.739 7.834 1.00 0.00 C ATOM 109 SD MET A 12 8.403 -1.651 8.677 1.00 0.00 S ATOM 110 CE MET A 12 8.179 -0.966 10.342 1.00 0.00 C ATOM 0 H MET A 12 7.945 2.366 5.727 1.00 0.00 H new ATOM 0 HA MET A 12 7.583 1.742 8.480 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.914 0.589 6.154 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.482 -0.180 6.306 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.450 -0.235 8.568 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.439 -1.433 7.289 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.090 -1.115 10.922 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.964 0.100 10.271 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.348 -1.471 10.835 1.00 0.00 H new ATOM 120 N VAL A 13 10.503 0.865 7.223 1.00 0.00 N ATOM 121 CA VAL A 13 11.882 0.551 7.571 1.00 0.00 C ATOM 122 C VAL A 13 12.679 1.788 7.980 1.00 0.00 C ATOM 123 O VAL A 13 13.707 1.668 8.650 1.00 0.00 O ATOM 124 CB VAL A 13 12.548 -0.175 6.409 1.00 0.00 C ATOM 125 CG1 VAL A 13 11.852 -1.529 6.219 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.409 0.655 5.130 1.00 0.00 C ATOM 0 H VAL A 13 10.289 0.768 6.230 1.00 0.00 H new ATOM 0 HA VAL A 13 11.867 -0.102 8.444 1.00 0.00 H new ATOM 0 HB VAL A 13 13.607 -0.322 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.316 -2.064 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.948 -2.119 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.796 -1.368 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.887 0.131 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.353 0.802 4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.888 1.624 5.271 1.00 0.00 H new ATOM 136 N GLY A 14 12.214 2.974 7.597 1.00 0.00 N ATOM 137 CA GLY A 14 12.910 4.210 7.966 1.00 0.00 C ATOM 138 C GLY A 14 12.390 4.747 9.304 1.00 0.00 C ATOM 139 O GLY A 14 13.162 5.228 10.134 1.00 0.00 O ATOM 0 H GLY A 14 11.371 3.109 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.982 4.023 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.767 4.960 7.188 1.00 0.00 H new ATOM 143 N GLY A 15 11.071 4.670 9.496 1.00 0.00 N ATOM 144 CA GLY A 15 10.457 5.165 10.726 1.00 0.00 C ATOM 145 C GLY A 15 11.137 4.536 11.930 1.00 0.00 C ATOM 146 O GLY A 15 11.516 5.220 12.881 1.00 0.00 O ATOM 0 H GLY A 15 10.415 4.274 8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.542 6.251 10.775 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.393 4.928 10.733 1.00 0.00 H new ATOM 150 N VAL A 16 11.270 3.220 11.879 1.00 0.00 N ATOM 151 CA VAL A 16 11.886 2.481 12.967 1.00 0.00 C ATOM 152 C VAL A 16 13.158 3.176 13.439 1.00 0.00 C ATOM 153 O VAL A 16 13.339 3.393 14.634 1.00 0.00 O ATOM 154 CB VAL A 16 12.196 1.047 12.525 1.00 0.00 C ATOM 155 CG1 VAL A 16 10.898 0.246 12.420 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.878 1.058 11.162 1.00 0.00 C ATOM 0 H VAL A 16 10.960 2.643 11.097 1.00 0.00 H new ATOM 0 HA VAL A 16 11.184 2.448 13.801 1.00 0.00 H new ATOM 0 HB VAL A 16 12.856 0.589 13.262 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.124 -0.773 12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.404 0.225 13.391 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.240 0.714 11.688 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.095 0.035 10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.219 1.525 10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.808 1.623 11.225 1.00 0.00 H new ATOM 166 N VAL A 17 14.034 3.523 12.509 1.00 0.00 N ATOM 167 CA VAL A 17 15.284 4.184 12.869 1.00 0.00 C ATOM 168 C VAL A 17 15.014 5.490 13.612 1.00 0.00 C ATOM 169 O VAL A 17 15.659 5.788 14.616 1.00 0.00 O ATOM 170 CB VAL A 17 16.093 4.499 11.615 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.394 5.190 12.022 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.410 3.204 10.863 1.00 0.00 C ATOM 0 H VAL A 17 13.908 3.362 11.510 1.00 0.00 H new ATOM 0 HA VAL A 17 15.843 3.508 13.516 1.00 0.00 H new ATOM 0 HB VAL A 17 15.516 5.155 10.963 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.979 5.419 11.131 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.165 6.114 12.553 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.968 4.531 12.673 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.988 3.435 9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.988 2.541 11.507 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.480 2.712 10.577 1.00 0.00 H new ATOM 182 N ILE A 18 14.051 6.253 13.114 1.00 0.00 N ATOM 183 CA ILE A 18 13.709 7.519 13.756 1.00 0.00 C ATOM 184 C ILE A 18 13.241 7.240 15.180 1.00 0.00 C ATOM 185 O ILE A 18 13.680 7.878 16.135 1.00 0.00 O ATOM 186 CB ILE A 18 12.600 8.235 12.979 1.00 0.00 C ATOM 187 CG1 ILE A 18 13.004 8.370 11.502 1.00 0.00 C ATOM 188 CG2 ILE A 18 12.364 9.622 13.584 1.00 0.00 C ATOM 189 CD1 ILE A 18 14.383 9.031 11.377 1.00 0.00 C ATOM 0 H ILE A 18 13.501 6.026 12.285 1.00 0.00 H new ATOM 0 HA ILE A 18 14.589 8.162 13.770 1.00 0.00 H new ATOM 0 HB ILE A 18 11.680 7.654 13.044 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.023 7.386 11.033 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.261 8.963 10.969 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.575 10.131 13.031 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.066 9.518 14.627 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.283 10.206 13.525 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.651 9.118 10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.353 10.024 11.826 1.00 0.00 H new ATOM 0 HD13 ILE A 18 15.126 8.422 11.892 1.00 0.00 H new ATOM 201 N ALA A 19 12.329 6.290 15.297 1.00 0.00 N ATOM 202 CA ALA A 19 11.775 5.925 16.595 1.00 0.00 C ATOM 203 C ALA A 19 12.881 5.500 17.562 1.00 0.00 C ATOM 204 O ALA A 19 12.818 5.787 18.757 1.00 0.00 O ATOM 205 CB ALA A 19 10.772 4.790 16.425 1.00 0.00 C ATOM 0 H ALA A 19 11.955 5.757 14.512 1.00 0.00 H new ATOM 0 HA ALA A 19 11.272 6.797 17.013 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.360 4.520 17.397 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.966 5.113 15.766 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.272 3.925 15.990 1.00 0.00 H new ATOM 211 N THR A 20 13.895 4.825 17.035 1.00 0.00 N ATOM 212 CA THR A 20 15.021 4.369 17.851 1.00 0.00 C ATOM 213 C THR A 20 15.908 5.534 18.238 1.00 0.00 C ATOM 214 O THR A 20 16.692 5.436 19.180 1.00 0.00 O ATOM 215 CB THR A 20 15.880 3.363 17.073 1.00 0.00 C ATOM 216 OG1 THR A 20 16.552 4.052 16.026 1.00 0.00 O ATOM 217 CG2 THR A 20 15.025 2.237 16.458 1.00 0.00 C ATOM 0 H THR A 20 13.964 4.580 16.047 1.00 0.00 H new ATOM 0 HA THR A 20 14.606 3.900 18.743 1.00 0.00 H new ATOM 0 HB THR A 20 16.589 2.911 17.767 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.944 4.706 15.622 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.670 1.546 15.916 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.504 1.701 17.251 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.296 2.667 15.772 1.00 0.00 H new ATOM 225 N MET A 21 15.788 6.642 17.522 1.00 0.00 N ATOM 226 CA MET A 21 16.593 7.809 17.834 1.00 0.00 C ATOM 227 C MET A 21 15.949 8.598 18.966 1.00 0.00 C ATOM 228 O MET A 21 16.646 9.224 19.763 1.00 0.00 O ATOM 229 CB MET A 21 16.776 8.687 16.590 1.00 0.00 C ATOM 230 CG MET A 21 17.801 8.042 15.638 1.00 0.00 C ATOM 231 SD MET A 21 19.441 7.974 16.422 1.00 0.00 S ATOM 232 CE MET A 21 19.554 6.174 16.650 1.00 0.00 C ATOM 0 H MET A 21 15.151 6.756 16.733 1.00 0.00 H new ATOM 0 HA MET A 21 17.580 7.479 18.159 1.00 0.00 H new ATOM 0 HB2 MET A 21 15.821 8.812 16.079 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.114 9.681 16.883 1.00 0.00 H new ATOM 0 HG2 MET A 21 17.476 7.036 15.372 1.00 0.00 H new ATOM 0 HG3 MET A 21 17.857 8.614 14.712 1.00 0.00 H new ATOM 0 HE1 MET A 21 20.272 5.952 17.440 1.00 0.00 H new ATOM 0 HE2 MET A 21 18.576 5.780 16.927 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.882 5.709 15.720 1.00 0.00 H new ATOM 242 N ILE A 22 14.616 8.576 19.046 1.00 0.00 N ATOM 243 CA ILE A 22 13.931 9.304 20.104 1.00 0.00 C ATOM 244 C ILE A 22 14.309 8.736 21.472 1.00 0.00 C ATOM 245 O ILE A 22 14.610 9.492 22.392 1.00 0.00 O ATOM 246 CB ILE A 22 12.415 9.194 19.907 1.00 0.00 C ATOM 247 CG1 ILE A 22 12.006 9.945 18.635 1.00 0.00 C ATOM 248 CG2 ILE A 22 11.693 9.807 21.111 1.00 0.00 C ATOM 249 CD1 ILE A 22 10.552 9.615 18.276 1.00 0.00 C ATOM 0 H ILE A 22 14.005 8.072 18.403 1.00 0.00 H new ATOM 0 HA ILE A 22 14.232 10.351 20.060 1.00 0.00 H new ATOM 0 HB ILE A 22 12.141 8.143 19.815 1.00 0.00 H new ATOM 0 HG12 ILE A 22 12.117 11.019 18.785 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.664 9.668 17.812 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.615 9.727 20.968 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.979 9.273 22.017 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.970 10.857 21.205 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.270 10.153 17.371 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.453 8.543 18.107 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.898 9.915 19.095 1.00 0.00 H new ATOM 261 N VAL A 23 14.291 7.406 21.602 1.00 0.00 N ATOM 262 CA VAL A 23 14.632 6.773 22.879 1.00 0.00 C ATOM 263 C VAL A 23 16.084 7.048 23.234 1.00 0.00 C ATOM 264 O VAL A 23 16.420 7.240 24.398 1.00 0.00 O ATOM 265 CB VAL A 23 14.387 5.259 22.834 1.00 0.00 C ATOM 266 CG1 VAL A 23 12.890 4.962 22.634 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.195 4.645 21.694 1.00 0.00 C ATOM 0 H VAL A 23 14.049 6.757 20.853 1.00 0.00 H new ATOM 0 HA VAL A 23 13.986 7.202 23.645 1.00 0.00 H new ATOM 0 HB VAL A 23 14.704 4.822 23.781 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.734 3.884 22.604 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.321 5.389 23.460 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.554 5.403 21.696 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.021 3.570 21.663 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.886 5.090 20.748 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.256 4.836 21.856 1.00 0.00 H new ATOM 277 N ILE A 24 16.945 7.104 22.231 1.00 0.00 N ATOM 278 CA ILE A 24 18.352 7.401 22.489 1.00 0.00 C ATOM 279 C ILE A 24 18.444 8.604 23.435 1.00 0.00 C ATOM 280 O ILE A 24 19.450 8.792 24.117 1.00 0.00 O ATOM 281 CB ILE A 24 19.092 7.648 21.140 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.015 6.460 20.808 1.00 0.00 C ATOM 283 CG2 ILE A 24 19.934 8.933 21.165 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.188 5.198 20.528 1.00 0.00 C ATOM 0 H ILE A 24 16.707 6.952 21.251 1.00 0.00 H new ATOM 0 HA ILE A 24 18.841 6.556 22.974 1.00 0.00 H new ATOM 0 HB ILE A 24 18.322 7.755 20.376 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.628 6.700 19.939 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.697 6.278 21.639 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.430 9.062 20.203 1.00 0.00 H new ATOM 0 HG22 ILE A 24 19.286 9.789 21.357 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.684 8.862 21.953 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.857 4.369 20.295 1.00 0.00 H new ATOM 0 HD12 ILE A 24 18.594 4.949 21.408 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.525 5.378 19.682 1.00 0.00 H new ATOM 296 N THR A 25 17.370 9.397 23.494 1.00 0.00 N ATOM 297 CA THR A 25 17.341 10.550 24.392 1.00 0.00 C ATOM 298 C THR A 25 17.111 10.092 25.832 1.00 0.00 C ATOM 299 O THR A 25 17.726 10.612 26.761 1.00 0.00 O ATOM 300 CB THR A 25 16.276 11.571 23.945 1.00 0.00 C ATOM 301 OG1 THR A 25 16.723 12.872 24.295 1.00 0.00 O ATOM 302 CG2 THR A 25 14.920 11.303 24.610 1.00 0.00 C ATOM 0 H THR A 25 16.524 9.264 22.940 1.00 0.00 H new ATOM 0 HA THR A 25 18.308 11.051 24.348 1.00 0.00 H new ATOM 0 HB THR A 25 16.141 11.483 22.867 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.056 13.533 24.015 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.195 12.043 24.270 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.573 10.305 24.340 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.026 11.370 25.693 1.00 0.00 H new ATOM 310 N LEU A 26 16.225 9.117 26.016 1.00 0.00 N ATOM 311 CA LEU A 26 15.922 8.590 27.338 1.00 0.00 C ATOM 312 C LEU A 26 17.212 8.141 28.027 1.00 0.00 C ATOM 313 O LEU A 26 17.361 8.258 29.243 1.00 0.00 O ATOM 314 CB LEU A 26 14.921 7.430 27.130 1.00 0.00 C ATOM 315 CG LEU A 26 14.750 6.525 28.365 1.00 0.00 C ATOM 316 CD1 LEU A 26 15.988 5.628 28.592 1.00 0.00 C ATOM 317 CD2 LEU A 26 14.438 7.371 29.611 1.00 0.00 C ATOM 0 H LEU A 26 15.703 8.675 25.259 1.00 0.00 H new ATOM 0 HA LEU A 26 15.477 9.341 27.991 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.950 7.845 26.858 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.254 6.822 26.289 1.00 0.00 H new ATOM 0 HG LEU A 26 13.905 5.861 28.180 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.829 5.005 29.472 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.142 4.992 27.720 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.868 6.254 28.745 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.320 6.717 30.475 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.257 8.067 29.792 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.516 7.929 29.450 1.00 0.00 H new ATOM 329 N VAL A 27 18.169 7.684 27.237 1.00 0.00 N ATOM 330 CA VAL A 27 19.455 7.274 27.788 1.00 0.00 C ATOM 331 C VAL A 27 20.153 8.477 28.428 1.00 0.00 C ATOM 332 O VAL A 27 20.925 8.342 29.377 1.00 0.00 O ATOM 333 CB VAL A 27 20.343 6.694 26.685 1.00 0.00 C ATOM 334 CG1 VAL A 27 21.586 6.043 27.306 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.552 5.651 25.893 1.00 0.00 C ATOM 0 H VAL A 27 18.085 7.587 26.225 1.00 0.00 H new ATOM 0 HA VAL A 27 19.284 6.509 28.545 1.00 0.00 H new ATOM 0 HB VAL A 27 20.659 7.494 26.016 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.214 5.632 26.516 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.148 6.792 27.864 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.280 5.243 27.979 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.183 5.236 25.107 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.233 4.852 26.562 1.00 0.00 H new ATOM 0 HG23 VAL A 27 18.676 6.121 25.446 1.00 0.00 H new ATOM 345 N MET A 28 19.870 9.653 27.879 1.00 0.00 N ATOM 346 CA MET A 28 20.456 10.898 28.385 1.00 0.00 C ATOM 347 C MET A 28 19.660 11.462 29.569 1.00 0.00 C ATOM 348 O MET A 28 20.230 12.079 30.467 1.00 0.00 O ATOM 349 CB MET A 28 20.535 11.945 27.271 1.00 0.00 C ATOM 350 CG MET A 28 21.576 11.505 26.241 1.00 0.00 C ATOM 351 SD MET A 28 21.634 12.707 24.888 1.00 0.00 S ATOM 352 CE MET A 28 22.301 14.100 25.834 1.00 0.00 C ATOM 0 H MET A 28 19.241 9.775 27.086 1.00 0.00 H new ATOM 0 HA MET A 28 21.462 10.663 28.734 1.00 0.00 H new ATOM 0 HB2 MET A 28 19.561 12.061 26.795 1.00 0.00 H new ATOM 0 HB3 MET A 28 20.805 12.916 27.686 1.00 0.00 H new ATOM 0 HG2 MET A 28 22.556 11.423 26.711 1.00 0.00 H new ATOM 0 HG3 MET A 28 21.325 10.518 25.854 1.00 0.00 H new ATOM 0 HE1 MET A 28 22.838 14.771 25.164 1.00 0.00 H new ATOM 0 HE2 MET A 28 21.483 14.641 26.310 1.00 0.00 H new ATOM 0 HE3 MET A 28 22.983 13.727 26.598 1.00 0.00 H new ATOM 362 N LEU A 29 18.343 11.257 29.560 1.00 0.00 N ATOM 363 CA LEU A 29 17.482 11.765 30.635 1.00 0.00 C ATOM 364 C LEU A 29 17.764 11.074 31.972 1.00 0.00 C ATOM 365 O LEU A 29 17.782 11.723 33.017 1.00 0.00 O ATOM 366 CB LEU A 29 16.007 11.570 30.260 1.00 0.00 C ATOM 367 CG LEU A 29 15.585 12.603 29.199 1.00 0.00 C ATOM 368 CD1 LEU A 29 14.205 12.220 28.644 1.00 0.00 C ATOM 369 CD2 LEU A 29 15.528 14.023 29.807 1.00 0.00 C ATOM 0 H LEU A 29 17.849 10.747 28.828 1.00 0.00 H new ATOM 0 HA LEU A 29 17.701 12.826 30.754 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.852 10.561 29.877 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.382 11.674 31.147 1.00 0.00 H new ATOM 0 HG LEU A 29 16.322 12.605 28.396 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.900 12.948 27.892 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.257 11.230 28.191 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.477 12.210 29.455 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.228 14.736 29.039 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.804 14.041 30.622 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.512 14.295 30.190 1.00 0.00 H new ATOM 381 N LYS A 30 17.959 9.760 31.941 1.00 0.00 N ATOM 382 CA LYS A 30 18.215 9.004 33.166 1.00 0.00 C ATOM 383 C LYS A 30 19.313 9.663 33.996 1.00 0.00 C ATOM 384 O LYS A 30 19.533 9.298 35.151 1.00 0.00 O ATOM 385 CB LYS A 30 18.604 7.560 32.842 1.00 0.00 C ATOM 386 CG LYS A 30 19.630 7.548 31.718 1.00 0.00 C ATOM 387 CD LYS A 30 19.916 6.106 31.306 1.00 0.00 C ATOM 388 CE LYS A 30 20.609 5.351 32.443 1.00 0.00 C ATOM 389 NZ LYS A 30 21.323 4.168 31.884 1.00 0.00 N ATOM 0 H LYS A 30 17.945 9.198 31.090 1.00 0.00 H new ATOM 0 HA LYS A 30 17.294 8.998 33.749 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.015 7.076 33.728 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.721 6.992 32.548 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.257 8.114 30.865 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.550 8.033 32.045 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.984 5.605 31.044 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.546 6.094 30.416 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.313 6.007 32.955 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.875 5.031 33.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.795 3.652 32.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.640 3.540 31.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.033 4.485 31.193 1.00 0.00 H new ATOM 403 N LYS A 31 19.994 10.646 33.406 1.00 0.00 N ATOM 404 CA LYS A 31 21.063 11.362 34.106 1.00 0.00 C ATOM 405 C LYS A 31 20.517 12.653 34.711 1.00 0.00 C ATOM 406 O LYS A 31 21.273 13.517 35.154 1.00 0.00 O ATOM 407 CB LYS A 31 22.203 11.683 33.138 1.00 0.00 C ATOM 408 CG LYS A 31 22.855 10.379 32.672 1.00 0.00 C ATOM 409 CD LYS A 31 24.011 10.694 31.721 1.00 0.00 C ATOM 410 CE LYS A 31 24.666 9.391 31.260 1.00 0.00 C ATOM 411 NZ LYS A 31 25.798 9.703 30.344 1.00 0.00 N ATOM 0 H LYS A 31 19.827 10.964 32.451 1.00 0.00 H new ATOM 0 HA LYS A 31 21.446 10.728 34.906 1.00 0.00 H new ATOM 0 HB2 LYS A 31 21.822 12.239 32.281 1.00 0.00 H new ATOM 0 HB3 LYS A 31 22.942 12.318 33.627 1.00 0.00 H new ATOM 0 HG2 LYS A 31 23.221 9.816 33.531 1.00 0.00 H new ATOM 0 HG3 LYS A 31 22.119 9.752 32.170 1.00 0.00 H new ATOM 0 HD2 LYS A 31 23.645 11.253 30.860 1.00 0.00 H new ATOM 0 HD3 LYS A 31 24.746 11.325 32.222 1.00 0.00 H new ATOM 0 HE2 LYS A 31 25.025 8.827 32.121 1.00 0.00 H new ATOM 0 HE3 LYS A 31 23.934 8.764 30.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 26.244 8.818 30.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 25.442 10.224 29.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 26.499 10.286 30.845 1.00 0.00 H new ATOM 425 N LYS A 32 19.192 12.762 34.725 1.00 0.00 N ATOM 426 CA LYS A 32 18.518 13.935 35.276 1.00 0.00 C ATOM 427 C LYS A 32 17.201 13.529 35.934 1.00 0.00 C ATOM 428 O LYS A 32 16.401 12.891 35.267 1.00 0.00 O ATOM 429 CB LYS A 32 18.246 14.954 34.161 1.00 0.00 C ATOM 430 CG LYS A 32 17.980 16.334 34.773 1.00 0.00 C ATOM 431 CD LYS A 32 17.863 17.391 33.665 1.00 0.00 C ATOM 432 CE LYS A 32 16.534 17.233 32.917 1.00 0.00 C ATOM 433 NZ LYS A 32 16.287 18.451 32.093 1.00 0.00 N ATOM 0 H LYS A 32 18.561 12.049 34.359 1.00 0.00 H new ATOM 0 HA LYS A 32 19.164 14.388 36.028 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.100 15.004 33.485 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.388 14.638 33.568 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.062 16.309 35.360 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.788 16.599 35.455 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.928 18.390 34.097 1.00 0.00 H new ATOM 0 HD3 LYS A 32 18.695 17.290 32.968 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.564 16.349 32.280 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.719 17.088 33.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.386 18.349 31.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.242 19.286 32.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.061 18.570 31.408 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -6.903 -0.757 5.807 1.00 0.00 N ATOM 449 CA LYS B 5 -5.443 -0.990 5.625 1.00 0.00 C ATOM 450 C LYS B 5 -4.749 -0.931 6.980 1.00 0.00 C ATOM 451 O LYS B 5 -3.623 -0.447 7.091 1.00 0.00 O ATOM 452 CB LYS B 5 -4.869 0.084 4.699 1.00 0.00 C ATOM 453 CG LYS B 5 -5.468 -0.077 3.301 1.00 0.00 C ATOM 454 CD LYS B 5 -4.925 1.019 2.383 1.00 0.00 C ATOM 455 CE LYS B 5 -5.595 0.914 1.013 1.00 0.00 C ATOM 456 NZ LYS B 5 -5.179 -0.355 0.352 1.00 0.00 N ATOM 0 HA LYS B 5 -5.280 -1.972 5.180 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.094 1.076 5.091 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.783 -0.002 4.654 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -5.220 -1.059 2.899 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -6.555 -0.019 3.351 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -5.115 2.000 2.818 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -3.844 0.920 2.280 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -6.679 0.940 1.124 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -5.317 1.767 0.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -5.403 -0.308 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.155 -0.491 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -5.688 -1.154 0.782 1.00 0.00 H new ATOM 469 N GLY B 6 -5.430 -1.423 8.009 1.00 0.00 N ATOM 470 CA GLY B 6 -4.868 -1.419 9.353 1.00 0.00 C ATOM 471 C GLY B 6 -3.624 -2.291 9.420 1.00 0.00 C ATOM 472 O GLY B 6 -2.685 -2.001 10.159 1.00 0.00 O ATOM 0 H GLY B 6 -6.364 -1.826 7.939 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.619 -0.399 9.645 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.611 -1.782 10.064 1.00 0.00 H new ATOM 476 N ALA B 7 -3.624 -3.362 8.641 1.00 0.00 N ATOM 477 CA ALA B 7 -2.488 -4.268 8.616 1.00 0.00 C ATOM 478 C ALA B 7 -1.239 -3.546 8.119 1.00 0.00 C ATOM 479 O ALA B 7 -0.126 -3.848 8.550 1.00 0.00 O ATOM 480 CB ALA B 7 -2.788 -5.460 7.705 1.00 0.00 C ATOM 0 H ALA B 7 -4.392 -3.623 8.023 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.309 -4.624 9.630 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.931 -6.133 7.693 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.662 -5.993 8.079 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.985 -5.104 6.694 1.00 0.00 H new ATOM 486 N ILE B 8 -1.426 -2.594 7.204 1.00 0.00 N ATOM 487 CA ILE B 8 -0.294 -1.851 6.659 1.00 0.00 C ATOM 488 C ILE B 8 0.324 -0.944 7.722 1.00 0.00 C ATOM 489 O ILE B 8 1.525 -1.011 7.979 1.00 0.00 O ATOM 490 CB ILE B 8 -0.750 -1.015 5.451 1.00 0.00 C ATOM 491 CG1 ILE B 8 -1.052 -1.944 4.268 1.00 0.00 C ATOM 492 CG2 ILE B 8 0.357 -0.037 5.041 1.00 0.00 C ATOM 493 CD1 ILE B 8 -2.233 -2.863 4.599 1.00 0.00 C ATOM 0 H ILE B 8 -2.336 -2.324 6.831 1.00 0.00 H new ATOM 0 HA ILE B 8 0.464 -2.565 6.337 1.00 0.00 H new ATOM 0 HB ILE B 8 -1.645 -0.458 5.727 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -1.281 -1.352 3.382 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -0.172 -2.542 4.033 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.025 0.550 4.185 1.00 0.00 H new ATOM 0 HG22 ILE B 8 0.580 0.630 5.874 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.254 -0.595 4.772 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -2.435 -3.516 3.750 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.990 -3.468 5.472 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -3.116 -2.259 4.811 1.00 0.00 H new ATOM 505 N ILE B 9 -0.495 -0.091 8.334 1.00 0.00 N ATOM 506 CA ILE B 9 0.014 0.814 9.354 1.00 0.00 C ATOM 507 C ILE B 9 0.403 0.032 10.607 1.00 0.00 C ATOM 508 O ILE B 9 1.439 0.292 11.214 1.00 0.00 O ATOM 509 CB ILE B 9 -1.035 1.888 9.691 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.378 3.039 10.485 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.160 1.268 10.522 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.299 4.032 9.529 1.00 0.00 C ATOM 0 H ILE B 9 -1.494 -0.010 8.145 1.00 0.00 H new ATOM 0 HA ILE B 9 0.903 1.312 8.967 1.00 0.00 H new ATOM 0 HB ILE B 9 -1.447 2.285 8.763 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -1.131 3.554 11.081 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.358 2.636 11.181 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.901 2.032 10.759 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.633 0.467 9.954 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.749 0.863 11.446 1.00 0.00 H new ATOM 0 HD11 ILE B 9 0.757 4.837 10.104 1.00 0.00 H new ATOM 0 HD12 ILE B 9 1.067 3.516 8.952 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -0.445 4.449 8.851 1.00 0.00 H new ATOM 524 N GLY B 10 -0.443 -0.932 10.978 1.00 0.00 N ATOM 525 CA GLY B 10 -0.198 -1.766 12.160 1.00 0.00 C ATOM 526 C GLY B 10 1.296 -2.019 12.354 1.00 0.00 C ATOM 527 O GLY B 10 1.874 -1.645 13.373 1.00 0.00 O ATOM 0 H GLY B 10 -1.304 -1.155 10.478 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.605 -1.277 13.045 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.720 -2.717 12.053 1.00 0.00 H new ATOM 531 N LEU B 11 1.906 -2.658 11.366 1.00 0.00 N ATOM 532 CA LEU B 11 3.333 -2.964 11.422 1.00 0.00 C ATOM 533 C LEU B 11 4.170 -1.691 11.456 1.00 0.00 C ATOM 534 O LEU B 11 5.269 -1.684 11.996 1.00 0.00 O ATOM 535 CB LEU B 11 3.733 -3.808 10.215 1.00 0.00 C ATOM 536 CG LEU B 11 3.095 -5.196 10.328 1.00 0.00 C ATOM 537 CD1 LEU B 11 3.303 -5.945 9.012 1.00 0.00 C ATOM 538 CD2 LEU B 11 3.729 -5.989 11.493 1.00 0.00 C ATOM 0 H LEU B 11 1.439 -2.975 10.517 1.00 0.00 H new ATOM 0 HA LEU B 11 3.521 -3.523 12.339 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.410 -3.321 9.295 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.818 -3.898 10.164 1.00 0.00 H new ATOM 0 HG LEU B 11 2.029 -5.089 10.528 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.852 -6.935 9.082 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.835 -5.390 8.199 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.370 -6.045 8.815 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.264 -6.973 11.559 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.798 -6.104 11.315 1.00 0.00 H new ATOM 0 HD23 LEU B 11 3.572 -5.450 12.428 1.00 0.00 H new ATOM 550 N MET B 12 3.658 -0.625 10.865 1.00 0.00 N ATOM 551 CA MET B 12 4.370 0.637 10.833 1.00 0.00 C ATOM 552 C MET B 12 4.504 1.232 12.235 1.00 0.00 C ATOM 553 O MET B 12 5.610 1.404 12.749 1.00 0.00 O ATOM 554 CB MET B 12 3.580 1.589 9.930 1.00 0.00 C ATOM 555 CG MET B 12 4.476 2.667 9.337 1.00 0.00 C ATOM 556 SD MET B 12 4.834 3.937 10.584 1.00 0.00 S ATOM 557 CE MET B 12 6.595 3.574 10.833 1.00 0.00 C ATOM 0 H MET B 12 2.750 -0.610 10.401 1.00 0.00 H new ATOM 0 HA MET B 12 5.379 0.483 10.450 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.109 1.023 9.126 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.779 2.055 10.503 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.406 2.223 8.982 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.989 3.121 8.474 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.915 3.970 11.797 1.00 0.00 H new ATOM 0 HE2 MET B 12 6.750 2.495 10.814 1.00 0.00 H new ATOM 0 HE3 MET B 12 7.178 4.039 10.038 1.00 0.00 H new ATOM 567 N VAL B 13 3.367 1.563 12.831 1.00 0.00 N ATOM 568 CA VAL B 13 3.338 2.165 14.158 1.00 0.00 C ATOM 569 C VAL B 13 3.749 1.184 15.255 1.00 0.00 C ATOM 570 O VAL B 13 4.140 1.605 16.345 1.00 0.00 O ATOM 571 CB VAL B 13 1.952 2.741 14.424 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.709 3.892 13.438 1.00 0.00 C ATOM 573 CG2 VAL B 13 0.891 1.658 14.218 1.00 0.00 C ATOM 0 H VAL B 13 2.447 1.424 12.414 1.00 0.00 H new ATOM 0 HA VAL B 13 4.074 2.969 14.179 1.00 0.00 H new ATOM 0 HB VAL B 13 1.890 3.103 15.450 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.721 4.318 13.612 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.467 4.662 13.583 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.766 3.515 12.417 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -0.097 2.076 14.410 1.00 0.00 H new ATOM 0 HG22 VAL B 13 0.938 1.293 13.192 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.075 0.833 14.905 1.00 0.00 H new ATOM 583 N GLY B 14 3.676 -0.114 14.977 1.00 0.00 N ATOM 584 CA GLY B 14 4.072 -1.119 15.968 1.00 0.00 C ATOM 585 C GLY B 14 5.562 -1.455 15.836 1.00 0.00 C ATOM 586 O GLY B 14 6.260 -1.625 16.835 1.00 0.00 O ATOM 0 H GLY B 14 3.352 -0.495 14.088 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.866 -0.748 16.972 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.477 -2.023 15.834 1.00 0.00 H new ATOM 590 N GLY B 15 6.034 -1.560 14.592 1.00 0.00 N ATOM 591 CA GLY B 15 7.434 -1.891 14.342 1.00 0.00 C ATOM 592 C GLY B 15 8.334 -0.930 15.098 1.00 0.00 C ATOM 593 O GLY B 15 9.272 -1.337 15.784 1.00 0.00 O ATOM 0 H GLY B 15 5.473 -1.422 13.752 1.00 0.00 H new ATOM 0 HA2 GLY B 15 7.636 -2.915 14.655 1.00 0.00 H new ATOM 0 HA3 GLY B 15 7.645 -1.837 13.274 1.00 0.00 H new ATOM 597 N VAL B 16 8.043 0.352 14.947 1.00 0.00 N ATOM 598 CA VAL B 16 8.829 1.386 15.597 1.00 0.00 C ATOM 599 C VAL B 16 9.105 1.019 17.052 1.00 0.00 C ATOM 600 O VAL B 16 10.248 1.077 17.499 1.00 0.00 O ATOM 601 CB VAL B 16 8.104 2.733 15.517 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.171 3.272 14.087 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.642 2.562 15.911 1.00 0.00 C ATOM 0 H VAL B 16 7.269 0.700 14.381 1.00 0.00 H new ATOM 0 HA VAL B 16 9.783 1.470 15.077 1.00 0.00 H new ATOM 0 HB VAL B 16 8.588 3.432 16.199 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.654 4.230 14.035 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.213 3.406 13.797 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.694 2.565 13.409 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.134 3.525 15.851 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.163 1.856 15.233 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.582 2.183 16.931 1.00 0.00 H new ATOM 613 N VAL B 17 8.069 0.644 17.785 1.00 0.00 N ATOM 614 CA VAL B 17 8.238 0.283 19.188 1.00 0.00 C ATOM 615 C VAL B 17 9.222 -0.873 19.337 1.00 0.00 C ATOM 616 O VAL B 17 10.089 -0.853 20.209 1.00 0.00 O ATOM 617 CB VAL B 17 6.899 -0.138 19.786 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.107 -0.517 21.254 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.899 1.017 19.687 1.00 0.00 C ATOM 0 H VAL B 17 7.111 0.581 17.439 1.00 0.00 H new ATOM 0 HA VAL B 17 8.625 1.156 19.713 1.00 0.00 H new ATOM 0 HB VAL B 17 6.505 -0.993 19.237 1.00 0.00 H new ATOM 0 HG11 VAL B 17 6.155 -0.819 21.690 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.815 -1.343 21.320 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.499 0.341 21.799 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.945 0.710 20.116 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.282 1.878 20.234 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.757 1.286 18.640 1.00 0.00 H new ATOM 629 N ILE B 18 9.086 -1.870 18.474 1.00 0.00 N ATOM 630 CA ILE B 18 9.982 -3.019 18.528 1.00 0.00 C ATOM 631 C ILE B 18 11.411 -2.540 18.297 1.00 0.00 C ATOM 632 O ILE B 18 12.332 -2.893 19.034 1.00 0.00 O ATOM 633 CB ILE B 18 9.604 -4.049 17.461 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.115 -4.412 17.591 1.00 0.00 C ATOM 635 CG2 ILE B 18 10.462 -5.306 17.635 1.00 0.00 C ATOM 636 CD1 ILE B 18 7.788 -4.847 19.025 1.00 0.00 C ATOM 0 H ILE B 18 8.378 -1.909 17.741 1.00 0.00 H new ATOM 0 HA ILE B 18 9.898 -3.493 19.506 1.00 0.00 H new ATOM 0 HB ILE B 18 9.782 -3.625 16.472 1.00 0.00 H new ATOM 0 HG12 ILE B 18 7.501 -3.554 17.317 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.869 -5.215 16.897 1.00 0.00 H new ATOM 0 HG21 ILE B 18 10.192 -6.039 16.875 1.00 0.00 H new ATOM 0 HG22 ILE B 18 11.515 -5.045 17.530 1.00 0.00 H new ATOM 0 HG23 ILE B 18 10.290 -5.730 18.624 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.730 -5.100 19.096 1.00 0.00 H new ATOM 0 HD12 ILE B 18 8.388 -5.719 19.286 1.00 0.00 H new ATOM 0 HD13 ILE B 18 8.014 -4.032 19.713 1.00 0.00 H new ATOM 648 N ALA B 19 11.580 -1.751 17.251 1.00 0.00 N ATOM 649 CA ALA B 19 12.895 -1.229 16.898 1.00 0.00 C ATOM 650 C ALA B 19 13.503 -0.441 18.059 1.00 0.00 C ATOM 651 O ALA B 19 14.712 -0.487 18.285 1.00 0.00 O ATOM 652 CB ALA B 19 12.781 -0.334 15.669 1.00 0.00 C ATOM 0 H ALA B 19 10.827 -1.456 16.630 1.00 0.00 H new ATOM 0 HA ALA B 19 13.550 -2.072 16.677 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.766 0.054 15.409 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.386 -0.912 14.833 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.109 0.497 15.885 1.00 0.00 H new ATOM 658 N THR B 20 12.658 0.272 18.793 1.00 0.00 N ATOM 659 CA THR B 20 13.113 1.063 19.938 1.00 0.00 C ATOM 660 C THR B 20 13.469 0.162 21.102 1.00 0.00 C ATOM 661 O THR B 20 14.180 0.574 22.016 1.00 0.00 O ATOM 662 CB THR B 20 12.009 2.019 20.406 1.00 0.00 C ATOM 663 OG1 THR B 20 10.964 1.258 20.998 1.00 0.00 O ATOM 664 CG2 THR B 20 11.428 2.839 19.237 1.00 0.00 C ATOM 0 H THR B 20 11.654 0.321 18.619 1.00 0.00 H new ATOM 0 HA THR B 20 13.989 1.627 19.617 1.00 0.00 H new ATOM 0 HB THR B 20 12.444 2.714 21.124 1.00 0.00 H new ATOM 0 HG1 THR B 20 10.969 0.351 20.627 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.649 3.504 19.611 1.00 0.00 H new ATOM 0 HG22 THR B 20 12.220 3.430 18.778 1.00 0.00 H new ATOM 0 HG23 THR B 20 11.003 2.163 18.495 1.00 0.00 H new ATOM 672 N MET B 21 12.988 -1.072 21.074 1.00 0.00 N ATOM 673 CA MET B 21 13.293 -2.005 22.143 1.00 0.00 C ATOM 674 C MET B 21 14.653 -2.646 21.904 1.00 0.00 C ATOM 675 O MET B 21 15.360 -2.976 22.856 1.00 0.00 O ATOM 676 CB MET B 21 12.198 -3.071 22.256 1.00 0.00 C ATOM 677 CG MET B 21 10.945 -2.469 22.917 1.00 0.00 C ATOM 678 SD MET B 21 11.306 -1.976 24.631 1.00 0.00 S ATOM 679 CE MET B 21 11.218 -0.173 24.418 1.00 0.00 C ATOM 0 H MET B 21 12.394 -1.445 20.334 1.00 0.00 H new ATOM 0 HA MET B 21 13.329 -1.460 23.086 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.949 -3.455 21.267 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.560 -3.915 22.843 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.605 -1.604 22.347 1.00 0.00 H new ATOM 0 HG3 MET B 21 10.134 -3.197 22.905 1.00 0.00 H new ATOM 0 HE1 MET B 21 11.775 0.315 25.218 1.00 0.00 H new ATOM 0 HE2 MET B 21 11.650 0.101 23.456 1.00 0.00 H new ATOM 0 HE3 MET B 21 10.177 0.147 24.453 1.00 0.00 H new ATOM 689 N ILE B 22 15.031 -2.827 20.636 1.00 0.00 N ATOM 690 CA ILE B 22 16.319 -3.430 20.331 1.00 0.00 C ATOM 691 C ILE B 22 17.455 -2.543 20.842 1.00 0.00 C ATOM 692 O ILE B 22 18.393 -3.037 21.463 1.00 0.00 O ATOM 693 CB ILE B 22 16.457 -3.613 18.815 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.449 -4.662 18.331 1.00 0.00 C ATOM 695 CG2 ILE B 22 17.876 -4.083 18.479 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.385 -4.657 16.798 1.00 0.00 C ATOM 0 H ILE B 22 14.472 -2.569 19.823 1.00 0.00 H new ATOM 0 HA ILE B 22 16.377 -4.400 20.824 1.00 0.00 H new ATOM 0 HB ILE B 22 16.262 -2.662 18.320 1.00 0.00 H new ATOM 0 HG12 ILE B 22 15.739 -5.650 18.688 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.463 -4.450 18.745 1.00 0.00 H new ATOM 0 HG21 ILE B 22 17.971 -4.212 17.401 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.596 -3.339 18.820 1.00 0.00 H new ATOM 0 HG23 ILE B 22 18.072 -5.033 18.977 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.667 -5.405 16.461 1.00 0.00 H new ATOM 0 HD12 ILE B 22 15.073 -3.672 16.450 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.369 -4.891 16.392 1.00 0.00 H new ATOM 708 N VAL B 23 17.370 -1.236 20.578 1.00 0.00 N ATOM 709 CA VAL B 23 18.415 -0.312 21.022 1.00 0.00 C ATOM 710 C VAL B 23 18.472 -0.267 22.541 1.00 0.00 C ATOM 711 O VAL B 23 19.544 -0.163 23.127 1.00 0.00 O ATOM 712 CB VAL B 23 18.185 1.102 20.470 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.284 1.102 18.934 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.809 1.601 20.902 1.00 0.00 C ATOM 0 H VAL B 23 16.602 -0.800 20.068 1.00 0.00 H new ATOM 0 HA VAL B 23 19.366 -0.680 20.635 1.00 0.00 H new ATOM 0 HB VAL B 23 18.953 1.766 20.867 1.00 0.00 H new ATOM 0 HG11 VAL B 23 18.118 2.112 18.559 1.00 0.00 H new ATOM 0 HG12 VAL B 23 19.275 0.761 18.633 1.00 0.00 H new ATOM 0 HG13 VAL B 23 17.529 0.433 18.521 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.646 2.605 20.510 1.00 0.00 H new ATOM 0 HG22 VAL B 23 16.041 0.931 20.515 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.755 1.624 21.990 1.00 0.00 H new ATOM 724 N ILE B 24 17.321 -0.378 23.186 1.00 0.00 N ATOM 725 CA ILE B 24 17.297 -0.383 24.646 1.00 0.00 C ATOM 726 C ILE B 24 18.378 -1.340 25.162 1.00 0.00 C ATOM 727 O ILE B 24 18.832 -1.221 26.299 1.00 0.00 O ATOM 728 CB ILE B 24 15.872 -0.771 25.144 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.151 0.460 25.723 1.00 0.00 C ATOM 730 CG2 ILE B 24 15.911 -1.867 26.222 1.00 0.00 C ATOM 731 CD1 ILE B 24 14.873 1.491 24.619 1.00 0.00 C ATOM 0 H ILE B 24 16.409 -0.464 22.737 1.00 0.00 H new ATOM 0 HA ILE B 24 17.517 0.610 25.038 1.00 0.00 H new ATOM 0 HB ILE B 24 15.333 -1.155 24.278 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.213 0.154 26.187 1.00 0.00 H new ATOM 0 HG13 ILE B 24 15.762 0.912 26.505 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.895 -2.103 26.537 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.382 -2.762 25.814 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.484 -1.514 27.079 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.363 2.354 25.047 1.00 0.00 H new ATOM 0 HD12 ILE B 24 15.815 1.810 24.174 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.243 1.041 23.851 1.00 0.00 H new ATOM 743 N THR B 25 18.808 -2.268 24.303 1.00 0.00 N ATOM 744 CA THR B 25 19.862 -3.207 24.683 1.00 0.00 C ATOM 745 C THR B 25 21.225 -2.513 24.646 1.00 0.00 C ATOM 746 O THR B 25 22.060 -2.727 25.522 1.00 0.00 O ATOM 747 CB THR B 25 19.838 -4.457 23.784 1.00 0.00 C ATOM 748 OG1 THR B 25 20.282 -5.569 24.546 1.00 0.00 O ATOM 749 CG2 THR B 25 20.742 -4.290 22.556 1.00 0.00 C ATOM 0 H THR B 25 18.449 -2.387 23.356 1.00 0.00 H new ATOM 0 HA THR B 25 19.680 -3.541 25.704 1.00 0.00 H new ATOM 0 HB THR B 25 18.819 -4.609 23.428 1.00 0.00 H new ATOM 0 HG1 THR B 25 20.271 -6.374 23.987 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.698 -5.193 21.947 1.00 0.00 H new ATOM 0 HG22 THR B 25 20.402 -3.438 21.967 1.00 0.00 H new ATOM 0 HG23 THR B 25 21.769 -4.121 22.880 1.00 0.00 H new ATOM 757 N LEU B 26 21.444 -1.680 23.633 1.00 0.00 N ATOM 758 CA LEU B 26 22.698 -0.956 23.489 1.00 0.00 C ATOM 759 C LEU B 26 22.994 -0.172 24.768 1.00 0.00 C ATOM 760 O LEU B 26 24.145 -0.016 25.170 1.00 0.00 O ATOM 761 CB LEU B 26 22.539 -0.041 22.251 1.00 0.00 C ATOM 762 CG LEU B 26 23.618 1.052 22.142 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.411 2.168 23.192 1.00 0.00 C ATOM 764 CD2 LEU B 26 25.021 0.435 22.253 1.00 0.00 C ATOM 0 H LEU B 26 20.764 -1.491 22.897 1.00 0.00 H new ATOM 0 HA LEU B 26 23.547 -1.624 23.340 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.566 -0.655 21.351 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.558 0.433 22.285 1.00 0.00 H new ATOM 0 HG LEU B 26 23.524 1.517 21.161 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.192 2.920 23.082 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.437 2.633 23.042 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.458 1.739 24.193 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.772 1.221 22.174 1.00 0.00 H new ATOM 0 HD22 LEU B 26 25.122 -0.068 23.215 1.00 0.00 H new ATOM 0 HD23 LEU B 26 25.166 -0.287 21.449 1.00 0.00 H new ATOM 776 N VAL B 27 21.944 0.269 25.440 1.00 0.00 N ATOM 777 CA VAL B 27 22.114 0.988 26.697 1.00 0.00 C ATOM 778 C VAL B 27 22.764 0.069 27.736 1.00 0.00 C ATOM 779 O VAL B 27 23.478 0.517 28.632 1.00 0.00 O ATOM 780 CB VAL B 27 20.760 1.475 27.219 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.972 2.434 28.397 1.00 0.00 C ATOM 782 CG2 VAL B 27 20.013 2.194 26.096 1.00 0.00 C ATOM 0 H VAL B 27 20.976 0.146 25.144 1.00 0.00 H new ATOM 0 HA VAL B 27 22.756 1.851 26.522 1.00 0.00 H new ATOM 0 HB VAL B 27 20.173 0.621 27.557 1.00 0.00 H new ATOM 0 HG11 VAL B 27 20.005 2.778 28.765 1.00 0.00 H new ATOM 0 HG12 VAL B 27 21.501 1.916 29.197 1.00 0.00 H new ATOM 0 HG13 VAL B 27 21.560 3.290 28.068 1.00 0.00 H new ATOM 0 HG21 VAL B 27 19.048 2.542 26.465 1.00 0.00 H new ATOM 0 HG22 VAL B 27 20.600 3.047 25.756 1.00 0.00 H new ATOM 0 HG23 VAL B 27 19.857 1.507 25.265 1.00 0.00 H new ATOM 792 N MET B 28 22.490 -1.223 27.599 1.00 0.00 N ATOM 793 CA MET B 28 23.042 -2.227 28.512 1.00 0.00 C ATOM 794 C MET B 28 24.451 -2.665 28.094 1.00 0.00 C ATOM 795 O MET B 28 25.283 -2.987 28.941 1.00 0.00 O ATOM 796 CB MET B 28 22.124 -3.449 28.589 1.00 0.00 C ATOM 797 CG MET B 28 20.829 -3.060 29.303 1.00 0.00 C ATOM 798 SD MET B 28 19.708 -4.483 29.343 1.00 0.00 S ATOM 799 CE MET B 28 20.688 -5.528 30.452 1.00 0.00 C ATOM 0 H MET B 28 21.890 -1.604 26.867 1.00 0.00 H new ATOM 0 HA MET B 28 23.109 -1.763 29.496 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.904 -3.818 27.587 1.00 0.00 H new ATOM 0 HB3 MET B 28 22.620 -4.258 29.125 1.00 0.00 H new ATOM 0 HG2 MET B 28 21.047 -2.727 30.318 1.00 0.00 H new ATOM 0 HG3 MET B 28 20.355 -2.224 28.788 1.00 0.00 H new ATOM 0 HE1 MET B 28 20.026 -6.197 31.001 1.00 0.00 H new ATOM 0 HE2 MET B 28 21.395 -6.117 29.867 1.00 0.00 H new ATOM 0 HE3 MET B 28 21.234 -4.900 31.156 1.00 0.00 H new ATOM 809 N LEU B 29 24.710 -2.686 26.786 1.00 0.00 N ATOM 810 CA LEU B 29 26.021 -3.102 26.272 1.00 0.00 C ATOM 811 C LEU B 29 27.131 -2.120 26.659 1.00 0.00 C ATOM 812 O LEU B 29 28.234 -2.533 27.010 1.00 0.00 O ATOM 813 CB LEU B 29 25.965 -3.232 24.744 1.00 0.00 C ATOM 814 CG LEU B 29 25.209 -4.511 24.345 1.00 0.00 C ATOM 815 CD1 LEU B 29 24.928 -4.481 22.835 1.00 0.00 C ATOM 816 CD2 LEU B 29 26.036 -5.769 24.699 1.00 0.00 C ATOM 0 H LEU B 29 24.037 -2.423 26.066 1.00 0.00 H new ATOM 0 HA LEU B 29 26.256 -4.066 26.723 1.00 0.00 H new ATOM 0 HB2 LEU B 29 25.470 -2.360 24.316 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.976 -3.257 24.337 1.00 0.00 H new ATOM 0 HG LEU B 29 24.270 -4.553 24.896 1.00 0.00 H new ATOM 0 HD11 LEU B 29 24.392 -5.385 22.547 1.00 0.00 H new ATOM 0 HD12 LEU B 29 24.321 -3.608 22.595 1.00 0.00 H new ATOM 0 HD13 LEU B 29 25.871 -4.429 22.290 1.00 0.00 H new ATOM 0 HD21 LEU B 29 25.483 -6.662 24.408 1.00 0.00 H new ATOM 0 HD22 LEU B 29 26.986 -5.742 24.166 1.00 0.00 H new ATOM 0 HD23 LEU B 29 26.223 -5.791 25.773 1.00 0.00 H new ATOM 828 N LYS B 30 26.844 -0.824 26.572 1.00 0.00 N ATOM 829 CA LYS B 30 27.842 0.194 26.898 1.00 0.00 C ATOM 830 C LYS B 30 28.496 -0.096 28.246 1.00 0.00 C ATOM 831 O LYS B 30 29.499 0.522 28.604 1.00 0.00 O ATOM 832 CB LYS B 30 27.210 1.586 26.916 1.00 0.00 C ATOM 833 CG LYS B 30 25.894 1.541 27.679 1.00 0.00 C ATOM 834 CD LYS B 30 25.200 2.897 27.579 1.00 0.00 C ATOM 835 CE LYS B 30 26.013 3.969 28.311 1.00 0.00 C ATOM 836 NZ LYS B 30 25.124 5.119 28.642 1.00 0.00 N ATOM 0 H LYS B 30 25.938 -0.455 26.282 1.00 0.00 H new ATOM 0 HA LYS B 30 28.610 0.166 26.125 1.00 0.00 H new ATOM 0 HB2 LYS B 30 27.889 2.298 27.384 1.00 0.00 H new ATOM 0 HB3 LYS B 30 27.039 1.932 25.897 1.00 0.00 H new ATOM 0 HG2 LYS B 30 25.251 0.761 27.271 1.00 0.00 H new ATOM 0 HG3 LYS B 30 26.076 1.290 28.724 1.00 0.00 H new ATOM 0 HD2 LYS B 30 25.080 3.175 26.532 1.00 0.00 H new ATOM 0 HD3 LYS B 30 24.200 2.833 28.009 1.00 0.00 H new ATOM 0 HE2 LYS B 30 26.446 3.555 29.222 1.00 0.00 H new ATOM 0 HE3 LYS B 30 26.842 4.303 27.687 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 25.672 5.850 29.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.731 5.518 27.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 24.348 4.793 29.252 1.00 0.00 H new ATOM 850 N LYS B 31 27.930 -1.048 28.989 1.00 0.00 N ATOM 851 CA LYS B 31 28.475 -1.422 30.295 1.00 0.00 C ATOM 852 C LYS B 31 29.386 -2.638 30.152 1.00 0.00 C ATOM 853 O LYS B 31 29.778 -3.260 31.138 1.00 0.00 O ATOM 854 CB LYS B 31 27.337 -1.739 31.268 1.00 0.00 C ATOM 855 CG LYS B 31 26.531 -0.465 31.537 1.00 0.00 C ATOM 856 CD LYS B 31 25.405 -0.771 32.527 1.00 0.00 C ATOM 857 CE LYS B 31 24.603 0.503 32.800 1.00 0.00 C ATOM 858 NZ LYS B 31 23.520 0.204 33.778 1.00 0.00 N ATOM 0 H LYS B 31 27.100 -1.571 28.711 1.00 0.00 H new ATOM 0 HA LYS B 31 29.055 -0.586 30.686 1.00 0.00 H new ATOM 0 HB2 LYS B 31 26.690 -2.511 30.850 1.00 0.00 H new ATOM 0 HB3 LYS B 31 27.740 -2.132 32.201 1.00 0.00 H new ATOM 0 HG2 LYS B 31 27.182 0.311 31.939 1.00 0.00 H new ATOM 0 HG3 LYS B 31 26.116 -0.081 30.605 1.00 0.00 H new ATOM 0 HD2 LYS B 31 24.752 -1.545 32.123 1.00 0.00 H new ATOM 0 HD3 LYS B 31 25.820 -1.158 33.458 1.00 0.00 H new ATOM 0 HE2 LYS B 31 25.258 1.281 33.192 1.00 0.00 H new ATOM 0 HE3 LYS B 31 24.176 0.883 31.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 22.973 1.069 33.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 22.891 -0.526 33.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 23.939 -0.140 34.666 1.00 0.00 H new ATOM 872 N LYS B 32 29.720 -2.957 28.904 1.00 0.00 N ATOM 873 CA LYS B 32 30.592 -4.090 28.601 1.00 0.00 C ATOM 874 C LYS B 32 31.456 -3.783 27.381 1.00 0.00 C ATOM 875 O LYS B 32 30.895 -3.437 26.354 1.00 0.00 O ATOM 876 CB LYS B 32 29.747 -5.343 28.333 1.00 0.00 C ATOM 877 CG LYS B 32 30.617 -6.597 28.481 1.00 0.00 C ATOM 878 CD LYS B 32 29.749 -7.858 28.370 1.00 0.00 C ATOM 879 CE LYS B 32 29.308 -8.078 26.919 1.00 0.00 C ATOM 880 NZ LYS B 32 28.770 -9.460 26.773 1.00 0.00 N ATOM 0 H LYS B 32 29.399 -2.445 28.083 1.00 0.00 H new ATOM 0 HA LYS B 32 31.241 -4.269 29.458 1.00 0.00 H new ATOM 0 HB2 LYS B 32 28.911 -5.385 29.031 1.00 0.00 H new ATOM 0 HB3 LYS B 32 29.323 -5.299 27.330 1.00 0.00 H new ATOM 0 HG2 LYS B 32 31.387 -6.608 27.710 1.00 0.00 H new ATOM 0 HG3 LYS B 32 31.129 -6.582 29.443 1.00 0.00 H new ATOM 0 HD2 LYS B 32 30.309 -8.725 28.722 1.00 0.00 H new ATOM 0 HD3 LYS B 32 28.873 -7.762 29.012 1.00 0.00 H new ATOM 0 HE2 LYS B 32 28.547 -7.348 26.643 1.00 0.00 H new ATOM 0 HE3 LYS B 32 30.151 -7.930 26.244 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 28.469 -9.613 25.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 29.509 -10.148 27.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 27.955 -9.584 27.407 1.00 0.00 H new TER 894 LYS B 32