USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 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 -44:sc= 0.741 USER MOD Set 1.2: B 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 20 THR OG1 : rot -31:sc= 0.699 USER MOD Set 2.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.0574 (180deg=-0.501) USER MOD Single : A 12 MET CE :methyl -166:sc= -0.146 (180deg=-0.521) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -114:sc= 0 (180deg=-0.192) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.0256 (180deg=-0.353) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0576 (180deg=-0.46) USER MOD Single : B 5 LYS NZ :NH3+ 161:sc= -0.0601 (180deg=-0.491) USER MOD Single : B 12 MET CE :methyl -167:sc= -0.151 (180deg=-0.491) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl -115:sc= 0 (180deg=-0.188) USER MOD Single : B 30 LYS NZ :NH3+ -161:sc= -0.0206 (180deg=-0.355) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 161:sc= -0.033 (180deg=-0.461) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 3.504 -1.444 -2.469 1.00 0.00 N ATOM 2 CA LYS A 5 4.385 -0.300 -2.833 1.00 0.00 C ATOM 3 C LYS A 5 5.562 -0.236 -1.868 1.00 0.00 C ATOM 4 O LYS A 5 5.383 -0.268 -0.651 1.00 0.00 O ATOM 5 CB LYS A 5 3.583 1.001 -2.768 1.00 0.00 C ATOM 6 CG LYS A 5 2.529 1.005 -3.875 1.00 0.00 C ATOM 7 CD LYS A 5 1.726 2.306 -3.814 1.00 0.00 C ATOM 8 CE LYS A 5 0.708 2.332 -4.955 1.00 0.00 C ATOM 9 NZ LYS A 5 -0.259 1.212 -4.780 1.00 0.00 N ATOM 0 HA LYS A 5 4.763 -0.437 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.103 1.097 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.248 1.857 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.009 0.907 -4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.864 0.149 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.215 2.385 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.395 3.163 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.180 3.285 -4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.218 2.241 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.109 1.395 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.181 0.322 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.525 1.137 -3.777 1.00 0.00 H new ATOM 22 N GLY A 6 6.767 -0.147 -2.422 1.00 0.00 N ATOM 23 CA GLY A 6 7.968 -0.080 -1.602 1.00 0.00 C ATOM 24 C GLY A 6 7.961 1.173 -0.739 1.00 0.00 C ATOM 25 O GLY A 6 8.607 1.225 0.306 1.00 0.00 O ATOM 0 H GLY A 6 6.936 -0.120 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.031 -0.964 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.851 -0.083 -2.241 1.00 0.00 H new ATOM 29 N ALA A 7 7.225 2.181 -1.184 1.00 0.00 N ATOM 30 CA ALA A 7 7.136 3.427 -0.440 1.00 0.00 C ATOM 31 C ALA A 7 6.492 3.184 0.921 1.00 0.00 C ATOM 32 O ALA A 7 6.857 3.817 1.913 1.00 0.00 O ATOM 33 CB ALA A 7 6.309 4.448 -1.226 1.00 0.00 C ATOM 0 H ALA A 7 6.685 2.161 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 7 8.143 3.817 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.247 5.378 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.785 4.638 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.305 4.055 -1.389 1.00 0.00 H new ATOM 39 N ILE A 8 5.524 2.271 0.959 1.00 0.00 N ATOM 40 CA ILE A 8 4.834 1.967 2.213 1.00 0.00 C ATOM 41 C ILE A 8 5.803 1.389 3.240 1.00 0.00 C ATOM 42 O ILE A 8 5.847 1.838 4.385 1.00 0.00 O ATOM 43 CB ILE A 8 3.705 0.964 1.956 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.623 1.623 1.099 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.088 0.519 3.287 1.00 0.00 C ATOM 46 CD1 ILE A 8 1.666 0.550 0.574 1.00 0.00 C ATOM 0 H ILE A 8 5.203 1.736 0.152 1.00 0.00 H new ATOM 0 HA ILE A 8 4.419 2.894 2.608 1.00 0.00 H new ATOM 0 HB ILE A 8 4.112 0.096 1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.075 2.358 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.079 2.158 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.286 -0.194 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.854 0.048 3.903 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.685 1.387 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.894 1.018 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.221 -0.168 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.201 0.035 1.414 1.00 0.00 H new ATOM 58 N ILE A 9 6.577 0.391 2.825 1.00 0.00 N ATOM 59 CA ILE A 9 7.540 -0.241 3.720 1.00 0.00 C ATOM 60 C ILE A 9 8.823 0.585 3.788 1.00 0.00 C ATOM 61 O ILE A 9 9.564 0.522 4.769 1.00 0.00 O ATOM 62 CB ILE A 9 7.844 -1.671 3.236 1.00 0.00 C ATOM 63 CG1 ILE A 9 8.517 -2.479 4.369 1.00 0.00 C ATOM 64 CG2 ILE A 9 8.768 -1.622 2.014 1.00 0.00 C ATOM 65 CD1 ILE A 9 7.453 -3.094 5.290 1.00 0.00 C ATOM 0 H ILE A 9 6.557 0.005 1.881 1.00 0.00 H new ATOM 0 HA ILE A 9 7.112 -0.293 4.721 1.00 0.00 H new ATOM 0 HB ILE A 9 6.909 -2.158 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.138 -3.267 3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.176 -1.830 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.979 -2.637 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.282 -1.067 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.701 -1.128 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.942 -3.660 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.850 -2.300 5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.812 -3.759 4.712 1.00 0.00 H new ATOM 77 N GLY A 10 9.082 1.340 2.726 1.00 0.00 N ATOM 78 CA GLY A 10 10.287 2.158 2.657 1.00 0.00 C ATOM 79 C GLY A 10 10.429 3.031 3.898 1.00 0.00 C ATOM 80 O GLY A 10 11.509 3.119 4.481 1.00 0.00 O ATOM 0 H GLY A 10 8.478 1.403 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.162 1.515 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.253 2.787 1.768 1.00 0.00 H new ATOM 84 N LEU A 11 9.341 3.676 4.302 1.00 0.00 N ATOM 85 CA LEU A 11 9.376 4.535 5.482 1.00 0.00 C ATOM 86 C LEU A 11 9.255 3.702 6.756 1.00 0.00 C ATOM 87 O LEU A 11 9.850 4.030 7.779 1.00 0.00 O ATOM 88 CB LEU A 11 8.241 5.566 5.418 1.00 0.00 C ATOM 89 CG LEU A 11 6.865 4.858 5.266 1.00 0.00 C ATOM 90 CD1 LEU A 11 6.150 4.787 6.624 1.00 0.00 C ATOM 91 CD2 LEU A 11 5.982 5.633 4.276 1.00 0.00 C ATOM 0 H LEU A 11 8.434 3.623 3.838 1.00 0.00 H new ATOM 0 HA LEU A 11 10.332 5.059 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.245 6.175 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.403 6.241 4.578 1.00 0.00 H new ATOM 0 HG LEU A 11 7.037 3.848 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.188 4.289 6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.763 4.226 7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.991 5.796 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.020 5.130 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.825 6.647 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.474 5.673 3.304 1.00 0.00 H new ATOM 103 N MET A 12 8.470 2.630 6.691 1.00 0.00 N ATOM 104 CA MET A 12 8.266 1.769 7.834 1.00 0.00 C ATOM 105 C MET A 12 9.592 1.367 8.467 1.00 0.00 C ATOM 106 O MET A 12 9.811 1.570 9.661 1.00 0.00 O ATOM 107 CB MET A 12 7.535 0.526 7.336 1.00 0.00 C ATOM 108 CG MET A 12 6.998 -0.286 8.502 1.00 0.00 C ATOM 109 SD MET A 12 8.334 -1.275 9.230 1.00 0.00 S ATOM 110 CE MET A 12 8.169 -0.712 10.945 1.00 0.00 C ATOM 0 H MET A 12 7.966 2.343 5.852 1.00 0.00 H new ATOM 0 HA MET A 12 7.688 2.293 8.595 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.714 0.819 6.682 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.213 -0.087 6.742 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.573 0.378 9.255 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.194 -0.939 8.163 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.052 -1.009 11.512 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.074 0.374 10.964 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.283 -1.162 11.392 1.00 0.00 H new ATOM 120 N VAL A 13 10.473 0.804 7.656 1.00 0.00 N ATOM 121 CA VAL A 13 11.776 0.376 8.139 1.00 0.00 C ATOM 122 C VAL A 13 12.626 1.574 8.530 1.00 0.00 C ATOM 123 O VAL A 13 13.575 1.443 9.298 1.00 0.00 O ATOM 124 CB VAL A 13 12.479 -0.461 7.072 1.00 0.00 C ATOM 125 CG1 VAL A 13 11.635 -1.708 6.784 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.644 0.363 5.792 1.00 0.00 C ATOM 0 H VAL A 13 10.311 0.633 6.664 1.00 0.00 H new ATOM 0 HA VAL A 13 11.634 -0.238 9.028 1.00 0.00 H new ATOM 0 HB VAL A 13 13.465 -0.759 7.427 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.128 -2.313 6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.526 -2.292 7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.651 -1.406 6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.146 -0.239 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.663 0.665 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.241 1.250 6.005 1.00 0.00 H new ATOM 136 N GLY A 14 12.285 2.744 8.003 1.00 0.00 N ATOM 137 CA GLY A 14 13.031 3.953 8.327 1.00 0.00 C ATOM 138 C GLY A 14 12.655 4.483 9.711 1.00 0.00 C ATOM 139 O GLY A 14 13.526 4.798 10.518 1.00 0.00 O ATOM 0 H GLY A 14 11.507 2.881 7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.100 3.743 8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.833 4.718 7.576 1.00 0.00 H new ATOM 143 N GLY A 15 11.350 4.596 9.975 1.00 0.00 N ATOM 144 CA GLY A 15 10.887 5.116 11.257 1.00 0.00 C ATOM 145 C GLY A 15 11.595 4.421 12.410 1.00 0.00 C ATOM 146 O GLY A 15 12.182 5.068 13.274 1.00 0.00 O ATOM 0 H GLY A 15 10.607 4.337 9.326 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.070 6.189 11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.810 4.972 11.346 1.00 0.00 H new ATOM 150 N VAL A 16 11.526 3.101 12.417 1.00 0.00 N ATOM 151 CA VAL A 16 12.155 2.328 13.478 1.00 0.00 C ATOM 152 C VAL A 16 13.572 2.838 13.732 1.00 0.00 C ATOM 153 O VAL A 16 13.949 3.086 14.875 1.00 0.00 O ATOM 154 CB VAL A 16 12.177 0.837 13.128 1.00 0.00 C ATOM 155 CG1 VAL A 16 10.778 0.243 13.305 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.628 0.648 11.680 1.00 0.00 C ATOM 0 H VAL A 16 11.047 2.545 11.709 1.00 0.00 H new ATOM 0 HA VAL A 16 11.568 2.453 14.388 1.00 0.00 H new ATOM 0 HB VAL A 16 12.875 0.328 13.793 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.799 -0.818 13.055 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.459 0.366 14.340 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.078 0.757 12.646 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.641 -0.415 11.439 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.936 1.163 11.013 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.629 1.061 11.554 1.00 0.00 H new ATOM 166 N VAL A 17 14.354 2.987 12.672 1.00 0.00 N ATOM 167 CA VAL A 17 15.727 3.458 12.819 1.00 0.00 C ATOM 168 C VAL A 17 15.760 4.834 13.487 1.00 0.00 C ATOM 169 O VAL A 17 16.547 5.066 14.401 1.00 0.00 O ATOM 170 CB VAL A 17 16.402 3.550 11.451 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.800 4.150 11.614 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.517 2.153 10.835 1.00 0.00 C ATOM 0 H VAL A 17 14.068 2.792 11.712 1.00 0.00 H new ATOM 0 HA VAL A 17 16.262 2.745 13.446 1.00 0.00 H new ATOM 0 HB VAL A 17 15.804 4.184 10.796 1.00 0.00 H new ATOM 0 HG11 VAL A 17 18.283 4.216 10.639 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.720 5.147 12.048 1.00 0.00 H new ATOM 0 HG13 VAL A 17 18.394 3.515 12.271 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.999 2.224 9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.112 1.515 11.488 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.522 1.724 10.718 1.00 0.00 H new ATOM 182 N ILE A 18 14.902 5.739 13.040 1.00 0.00 N ATOM 183 CA ILE A 18 14.868 7.070 13.637 1.00 0.00 C ATOM 184 C ILE A 18 14.488 6.953 15.111 1.00 0.00 C ATOM 185 O ILE A 18 15.128 7.537 15.984 1.00 0.00 O ATOM 186 CB ILE A 18 13.863 7.960 12.899 1.00 0.00 C ATOM 187 CG1 ILE A 18 14.193 7.996 11.398 1.00 0.00 C ATOM 188 CG2 ILE A 18 13.911 9.378 13.469 1.00 0.00 C ATOM 189 CD1 ILE A 18 15.645 8.438 11.166 1.00 0.00 C ATOM 0 H ILE A 18 14.234 5.585 12.285 1.00 0.00 H new ATOM 0 HA ILE A 18 15.854 7.526 13.554 1.00 0.00 H new ATOM 0 HB ILE A 18 12.862 7.550 13.034 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.035 7.009 10.963 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.515 8.681 10.889 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.194 10.007 12.941 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.659 9.353 14.529 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.914 9.787 13.344 1.00 0.00 H new ATOM 0 HD11 ILE A 18 15.854 8.455 10.096 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.792 9.435 11.581 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.321 7.738 11.656 1.00 0.00 H new ATOM 201 N ALA A 19 13.435 6.198 15.368 1.00 0.00 N ATOM 202 CA ALA A 19 12.960 6.008 16.733 1.00 0.00 C ATOM 203 C ALA A 19 14.091 5.494 17.626 1.00 0.00 C ATOM 204 O ALA A 19 14.187 5.866 18.795 1.00 0.00 O ATOM 205 CB ALA A 19 11.792 5.022 16.760 1.00 0.00 C ATOM 0 H ALA A 19 12.893 5.708 14.656 1.00 0.00 H new ATOM 0 HA ALA A 19 12.619 6.971 17.112 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.450 4.892 17.787 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.975 5.409 16.151 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.118 4.061 16.361 1.00 0.00 H new ATOM 211 N THR A 20 14.944 4.634 17.072 1.00 0.00 N ATOM 212 CA THR A 20 16.058 4.079 17.839 1.00 0.00 C ATOM 213 C THR A 20 17.093 5.144 18.151 1.00 0.00 C ATOM 214 O THR A 20 17.889 4.980 19.065 1.00 0.00 O ATOM 215 CB THR A 20 16.734 2.938 17.055 1.00 0.00 C ATOM 216 OG1 THR A 20 17.355 3.473 15.898 1.00 0.00 O ATOM 217 CG2 THR A 20 15.702 1.873 16.622 1.00 0.00 C ATOM 0 H THR A 20 14.887 4.309 16.107 1.00 0.00 H new ATOM 0 HA THR A 20 15.653 3.694 18.775 1.00 0.00 H new ATOM 0 HB THR A 20 17.472 2.465 17.703 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.851 4.254 15.588 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.207 1.080 16.071 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.221 1.452 17.505 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.948 2.335 15.984 1.00 0.00 H new ATOM 225 N MET A 21 17.092 6.220 17.375 1.00 0.00 N ATOM 226 CA MET A 21 18.052 7.301 17.576 1.00 0.00 C ATOM 227 C MET A 21 17.601 8.265 18.668 1.00 0.00 C ATOM 228 O MET A 21 18.429 8.756 19.435 1.00 0.00 O ATOM 229 CB MET A 21 18.256 8.079 16.273 1.00 0.00 C ATOM 230 CG MET A 21 18.957 7.195 15.236 1.00 0.00 C ATOM 231 SD MET A 21 20.657 6.855 15.773 1.00 0.00 S ATOM 232 CE MET A 21 20.513 5.058 15.950 1.00 0.00 C ATOM 0 H MET A 21 16.441 6.369 16.604 1.00 0.00 H new ATOM 0 HA MET A 21 18.991 6.844 17.888 1.00 0.00 H new ATOM 0 HB2 MET A 21 17.294 8.414 15.886 1.00 0.00 H new ATOM 0 HB3 MET A 21 18.851 8.972 16.463 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.411 6.260 15.112 1.00 0.00 H new ATOM 0 HG3 MET A 21 18.964 7.691 14.266 1.00 0.00 H new ATOM 0 HE1 MET A 21 21.468 4.647 16.278 1.00 0.00 H new ATOM 0 HE2 MET A 21 19.745 4.825 16.688 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.240 4.619 14.991 1.00 0.00 H new ATOM 242 N ILE A 22 16.300 8.554 18.741 1.00 0.00 N ATOM 243 CA ILE A 22 15.799 9.481 19.750 1.00 0.00 C ATOM 244 C ILE A 22 15.873 8.886 21.154 1.00 0.00 C ATOM 245 O ILE A 22 16.282 9.558 22.095 1.00 0.00 O ATOM 246 CB ILE A 22 14.348 9.846 19.435 1.00 0.00 C ATOM 247 CG1 ILE A 22 14.297 10.623 18.116 1.00 0.00 C ATOM 248 CG2 ILE A 22 13.781 10.722 20.562 1.00 0.00 C ATOM 249 CD1 ILE A 22 12.851 10.700 17.625 1.00 0.00 C ATOM 0 H ILE A 22 15.587 8.166 18.124 1.00 0.00 H new ATOM 0 HA ILE A 22 16.429 10.370 19.725 1.00 0.00 H new ATOM 0 HB ILE A 22 13.755 8.936 19.350 1.00 0.00 H new ATOM 0 HG12 ILE A 22 14.698 11.627 18.257 1.00 0.00 H new ATOM 0 HG13 ILE A 22 14.920 10.133 17.368 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.747 10.981 20.336 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.820 10.174 21.503 1.00 0.00 H new ATOM 0 HG23 ILE A 22 14.373 11.633 20.648 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.814 11.253 16.686 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.466 9.692 17.468 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.240 11.210 18.370 1.00 0.00 H new ATOM 261 N VAL A 23 15.443 7.637 21.301 1.00 0.00 N ATOM 262 CA VAL A 23 15.435 6.995 22.609 1.00 0.00 C ATOM 263 C VAL A 23 16.789 7.121 23.281 1.00 0.00 C ATOM 264 O VAL A 23 16.873 7.310 24.492 1.00 0.00 O ATOM 265 CB VAL A 23 15.088 5.519 22.442 1.00 0.00 C ATOM 266 CG1 VAL A 23 13.714 5.379 21.750 1.00 0.00 C ATOM 267 CG2 VAL A 23 16.188 4.841 21.599 1.00 0.00 C ATOM 0 H VAL A 23 15.099 7.054 20.538 1.00 0.00 H new ATOM 0 HA VAL A 23 14.691 7.488 23.235 1.00 0.00 H new ATOM 0 HB VAL A 23 15.032 5.037 23.418 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.471 4.323 21.633 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.949 5.862 22.358 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.751 5.853 20.769 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.951 3.785 21.473 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.244 5.320 20.621 1.00 0.00 H new ATOM 0 HG23 VAL A 23 17.148 4.939 22.106 1.00 0.00 H new ATOM 277 N ILE A 24 17.853 7.027 22.497 1.00 0.00 N ATOM 278 CA ILE A 24 19.197 7.148 23.062 1.00 0.00 C ATOM 279 C ILE A 24 19.258 8.375 23.971 1.00 0.00 C ATOM 280 O ILE A 24 19.765 8.305 25.090 1.00 0.00 O ATOM 281 CB ILE A 24 20.226 7.301 21.942 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.074 6.154 20.941 1.00 0.00 C ATOM 283 CG2 ILE A 24 21.640 7.300 22.524 1.00 0.00 C ATOM 284 CD1 ILE A 24 20.163 4.792 21.648 1.00 0.00 C ATOM 0 H ILE A 24 17.820 6.871 21.490 1.00 0.00 H new ATOM 0 HA ILE A 24 19.422 6.249 23.636 1.00 0.00 H new ATOM 0 HB ILE A 24 20.056 8.249 21.431 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.117 6.239 20.427 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.852 6.225 20.180 1.00 0.00 H new ATOM 0 HG21 ILE A 24 22.365 7.409 21.718 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.746 8.130 23.223 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.818 6.360 23.047 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.052 3.993 20.915 1.00 0.00 H new ATOM 0 HD12 ILE A 24 21.131 4.700 22.141 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.369 4.715 22.391 1.00 0.00 H new ATOM 296 N THR A 25 18.720 9.491 23.490 1.00 0.00 N ATOM 297 CA THR A 25 18.705 10.720 24.288 1.00 0.00 C ATOM 298 C THR A 25 17.888 10.486 25.564 1.00 0.00 C ATOM 299 O THR A 25 18.355 10.743 26.672 1.00 0.00 O ATOM 300 CB THR A 25 18.100 11.860 23.448 1.00 0.00 C ATOM 301 OG1 THR A 25 19.088 12.350 22.555 1.00 0.00 O ATOM 302 CG2 THR A 25 17.602 13.009 24.336 1.00 0.00 C ATOM 0 H THR A 25 18.294 9.574 22.567 1.00 0.00 H new ATOM 0 HA THR A 25 19.719 10.998 24.574 1.00 0.00 H new ATOM 0 HB THR A 25 17.247 11.466 22.896 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.710 13.075 22.015 1.00 0.00 H new ATOM 0 HG21 THR A 25 17.181 13.796 23.710 1.00 0.00 H new ATOM 0 HG22 THR A 25 16.836 12.637 25.016 1.00 0.00 H new ATOM 0 HG23 THR A 25 18.435 13.410 24.913 1.00 0.00 H new ATOM 310 N LEU A 26 16.667 9.999 25.385 1.00 0.00 N ATOM 311 CA LEU A 26 15.774 9.730 26.511 1.00 0.00 C ATOM 312 C LEU A 26 16.502 8.912 27.575 1.00 0.00 C ATOM 313 O LEU A 26 16.395 9.187 28.771 1.00 0.00 O ATOM 314 CB LEU A 26 14.551 8.967 25.992 1.00 0.00 C ATOM 315 CG LEU A 26 13.619 8.504 27.133 1.00 0.00 C ATOM 316 CD1 LEU A 26 14.192 7.279 27.887 1.00 0.00 C ATOM 317 CD2 LEU A 26 13.349 9.666 28.108 1.00 0.00 C ATOM 0 H LEU A 26 16.270 9.781 24.471 1.00 0.00 H new ATOM 0 HA LEU A 26 15.455 10.668 26.966 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.993 9.604 25.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.882 8.099 25.422 1.00 0.00 H new ATOM 0 HG LEU A 26 12.676 8.194 26.683 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.505 6.987 28.681 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.317 6.449 27.191 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.158 7.538 28.320 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.691 9.325 28.907 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.291 10.009 28.536 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.874 10.488 27.572 1.00 0.00 H new ATOM 329 N VAL A 27 17.277 7.935 27.132 1.00 0.00 N ATOM 330 CA VAL A 27 18.041 7.113 28.063 1.00 0.00 C ATOM 331 C VAL A 27 19.098 7.974 28.751 1.00 0.00 C ATOM 332 O VAL A 27 19.051 8.186 29.960 1.00 0.00 O ATOM 333 CB VAL A 27 18.711 5.954 27.324 1.00 0.00 C ATOM 334 CG1 VAL A 27 19.537 5.126 28.312 1.00 0.00 C ATOM 335 CG2 VAL A 27 17.633 5.066 26.698 1.00 0.00 C ATOM 0 H VAL A 27 17.395 7.692 26.148 1.00 0.00 H new ATOM 0 HA VAL A 27 17.365 6.701 28.812 1.00 0.00 H new ATOM 0 HB VAL A 27 19.364 6.347 26.545 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.014 4.300 27.785 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.301 5.757 28.766 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.884 4.731 29.090 1.00 0.00 H new ATOM 0 HG21 VAL A 27 18.105 4.238 26.170 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.984 4.674 27.481 1.00 0.00 H new ATOM 0 HG23 VAL A 27 17.040 5.653 25.996 1.00 0.00 H new ATOM 345 N MET A 28 20.051 8.461 27.969 1.00 0.00 N ATOM 346 CA MET A 28 21.119 9.299 28.507 1.00 0.00 C ATOM 347 C MET A 28 20.545 10.406 29.390 1.00 0.00 C ATOM 348 O MET A 28 21.230 10.914 30.279 1.00 0.00 O ATOM 349 CB MET A 28 21.927 9.921 27.362 1.00 0.00 C ATOM 350 CG MET A 28 22.648 8.823 26.570 1.00 0.00 C ATOM 351 SD MET A 28 23.894 8.012 27.609 1.00 0.00 S ATOM 352 CE MET A 28 25.182 9.284 27.509 1.00 0.00 C ATOM 0 H MET A 28 20.109 8.293 26.965 1.00 0.00 H new ATOM 0 HA MET A 28 21.773 8.672 29.113 1.00 0.00 H new ATOM 0 HB2 MET A 28 21.265 10.482 26.702 1.00 0.00 H new ATOM 0 HB3 MET A 28 22.653 10.629 27.761 1.00 0.00 H new ATOM 0 HG2 MET A 28 21.926 8.088 26.215 1.00 0.00 H new ATOM 0 HG3 MET A 28 23.124 9.254 25.689 1.00 0.00 H new ATOM 0 HE1 MET A 28 26.045 8.886 26.976 1.00 0.00 H new ATOM 0 HE2 MET A 28 24.795 10.153 26.976 1.00 0.00 H new ATOM 0 HE3 MET A 28 25.481 9.579 28.515 1.00 0.00 H new ATOM 362 N LEU A 29 19.284 10.768 29.159 1.00 0.00 N ATOM 363 CA LEU A 29 18.641 11.801 29.965 1.00 0.00 C ATOM 364 C LEU A 29 18.284 11.261 31.342 1.00 0.00 C ATOM 365 O LEU A 29 18.190 12.023 32.301 1.00 0.00 O ATOM 366 CB LEU A 29 17.380 12.342 29.262 1.00 0.00 C ATOM 367 CG LEU A 29 17.765 13.399 28.206 1.00 0.00 C ATOM 368 CD1 LEU A 29 16.521 13.781 27.393 1.00 0.00 C ATOM 369 CD2 LEU A 29 18.349 14.660 28.890 1.00 0.00 C ATOM 0 H LEU A 29 18.695 10.367 28.430 1.00 0.00 H new ATOM 0 HA LEU A 29 19.347 12.623 30.084 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.841 11.523 28.786 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.706 12.782 29.997 1.00 0.00 H new ATOM 0 HG LEU A 29 18.523 12.980 27.545 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.790 14.528 26.646 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.126 12.896 26.895 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.763 14.191 28.060 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.615 15.395 28.131 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.605 15.086 29.563 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.238 14.387 29.458 1.00 0.00 H new ATOM 381 N LYS A 30 18.076 9.951 31.444 1.00 0.00 N ATOM 382 CA LYS A 30 17.729 9.352 32.727 1.00 0.00 C ATOM 383 C LYS A 30 18.611 9.908 33.845 1.00 0.00 C ATOM 384 O LYS A 30 18.296 9.754 35.026 1.00 0.00 O ATOM 385 CB LYS A 30 17.895 7.830 32.669 1.00 0.00 C ATOM 386 CG LYS A 30 16.768 7.215 31.841 1.00 0.00 C ATOM 387 CD LYS A 30 16.983 5.702 31.735 1.00 0.00 C ATOM 388 CE LYS A 30 15.839 5.073 30.939 1.00 0.00 C ATOM 389 NZ LYS A 30 14.578 5.165 31.728 1.00 0.00 N ATOM 0 H LYS A 30 18.140 9.294 30.667 1.00 0.00 H new ATOM 0 HA LYS A 30 16.688 9.599 32.937 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.860 7.577 32.230 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.885 7.416 33.677 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.804 7.425 32.305 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.747 7.661 30.847 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.935 5.494 31.248 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.031 5.261 32.731 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.721 5.585 29.984 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.066 4.031 30.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.882 4.491 31.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.774 4.938 32.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.196 6.130 31.661 1.00 0.00 H new ATOM 403 N LYS A 31 19.714 10.562 33.470 1.00 0.00 N ATOM 404 CA LYS A 31 20.632 11.141 34.455 1.00 0.00 C ATOM 405 C LYS A 31 20.386 12.645 34.582 1.00 0.00 C ATOM 406 O LYS A 31 21.263 13.396 35.007 1.00 0.00 O ATOM 407 CB LYS A 31 22.081 10.901 34.026 1.00 0.00 C ATOM 408 CG LYS A 31 22.322 9.406 33.769 1.00 0.00 C ATOM 409 CD LYS A 31 22.123 8.600 35.058 1.00 0.00 C ATOM 410 CE LYS A 31 22.721 7.203 34.884 1.00 0.00 C ATOM 411 NZ LYS A 31 22.562 6.437 36.152 1.00 0.00 N ATOM 0 H LYS A 31 19.992 10.703 32.499 1.00 0.00 H new ATOM 0 HA LYS A 31 20.455 10.663 35.418 1.00 0.00 H new ATOM 0 HB2 LYS A 31 22.299 11.472 33.123 1.00 0.00 H new ATOM 0 HB3 LYS A 31 22.760 11.258 34.800 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.637 9.048 33.000 1.00 0.00 H new ATOM 0 HG3 LYS A 31 23.333 9.254 33.391 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.600 9.110 35.895 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.061 8.526 35.293 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.224 6.682 34.066 1.00 0.00 H new ATOM 0 HE3 LYS A 31 23.776 7.277 34.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 22.968 5.486 36.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.055 6.933 36.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 21.552 6.356 36.384 1.00 0.00 H new ATOM 425 N LYS A 32 19.182 13.070 34.211 1.00 0.00 N ATOM 426 CA LYS A 32 18.820 14.482 34.287 1.00 0.00 C ATOM 427 C LYS A 32 19.274 15.085 35.613 1.00 0.00 C ATOM 428 O LYS A 32 18.870 16.199 35.905 1.00 0.00 O ATOM 429 CB LYS A 32 17.303 14.643 34.143 1.00 0.00 C ATOM 430 CG LYS A 32 16.592 13.892 35.273 1.00 0.00 C ATOM 431 CD LYS A 32 15.077 13.980 35.070 1.00 0.00 C ATOM 432 CE LYS A 32 14.365 13.193 36.172 1.00 0.00 C ATOM 433 NZ LYS A 32 14.670 13.800 37.499 1.00 0.00 N ATOM 0 H LYS A 32 18.444 12.461 33.857 1.00 0.00 H new ATOM 0 HA LYS A 32 19.320 15.008 33.473 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.036 15.699 34.172 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.977 14.258 33.177 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.908 12.849 35.286 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.866 14.320 36.237 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.757 15.022 35.089 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.807 13.581 34.092 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.289 13.197 35.998 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.687 12.152 36.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.970 13.477 38.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.622 13.511 37.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.631 14.837 37.424 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -5.298 1.839 4.383 1.00 0.00 N ATOM 449 CA LYS B 5 -5.667 0.771 5.354 1.00 0.00 C ATOM 450 C LYS B 5 -4.960 1.024 6.679 1.00 0.00 C ATOM 451 O LYS B 5 -3.750 1.242 6.719 1.00 0.00 O ATOM 452 CB LYS B 5 -5.256 -0.591 4.792 1.00 0.00 C ATOM 453 CG LYS B 5 -6.118 -0.921 3.572 1.00 0.00 C ATOM 454 CD LYS B 5 -5.710 -2.285 3.011 1.00 0.00 C ATOM 455 CE LYS B 5 -6.606 -2.634 1.822 1.00 0.00 C ATOM 456 NZ LYS B 5 -6.402 -1.634 0.737 1.00 0.00 N ATOM 0 HA LYS B 5 -6.745 0.779 5.518 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.202 -0.578 4.513 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -5.375 -1.362 5.554 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -7.172 -0.931 3.850 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -5.997 -0.152 2.809 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.666 -2.265 2.700 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.798 -3.049 3.783 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -6.372 -3.634 1.458 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -7.651 -2.643 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -6.742 -2.025 -0.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -6.931 -0.767 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -5.390 -1.410 0.657 1.00 0.00 H new ATOM 469 N GLY B 6 -5.728 0.993 7.763 1.00 0.00 N ATOM 470 CA GLY B 6 -5.168 1.219 9.089 1.00 0.00 C ATOM 471 C GLY B 6 -4.152 0.141 9.435 1.00 0.00 C ATOM 472 O GLY B 6 -3.262 0.352 10.257 1.00 0.00 O ATOM 0 H GLY B 6 -6.732 0.815 7.750 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.692 2.199 9.126 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.967 1.224 9.830 1.00 0.00 H new ATOM 476 N ALA B 7 -4.289 -1.014 8.801 1.00 0.00 N ATOM 477 CA ALA B 7 -3.373 -2.115 9.046 1.00 0.00 C ATOM 478 C ALA B 7 -1.959 -1.727 8.626 1.00 0.00 C ATOM 479 O ALA B 7 -0.982 -2.124 9.261 1.00 0.00 O ATOM 480 CB ALA B 7 -3.821 -3.352 8.263 1.00 0.00 C ATOM 0 H ALA B 7 -5.020 -1.211 8.118 1.00 0.00 H new ATOM 0 HA ALA B 7 -3.378 -2.343 10.112 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -3.129 -4.173 8.452 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -4.823 -3.641 8.581 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -3.831 -3.124 7.197 1.00 0.00 H new ATOM 486 N ILE B 8 -1.856 -0.953 7.547 1.00 0.00 N ATOM 487 CA ILE B 8 -0.545 -0.529 7.055 1.00 0.00 C ATOM 488 C ILE B 8 0.171 0.333 8.093 1.00 0.00 C ATOM 489 O ILE B 8 1.330 0.088 8.421 1.00 0.00 O ATOM 490 CB ILE B 8 -0.708 0.265 5.756 1.00 0.00 C ATOM 491 CG1 ILE B 8 -1.229 -0.661 4.656 1.00 0.00 C ATOM 492 CG2 ILE B 8 0.643 0.846 5.324 1.00 0.00 C ATOM 493 CD1 ILE B 8 -1.697 0.175 3.463 1.00 0.00 C ATOM 0 H ILE B 8 -2.649 -0.611 7.004 1.00 0.00 H new ATOM 0 HA ILE B 8 0.054 -1.420 6.867 1.00 0.00 H new ATOM 0 HB ILE B 8 -1.414 1.078 5.923 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.444 -1.351 4.345 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -2.053 -1.266 5.035 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.518 1.409 4.399 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.021 1.508 6.104 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.353 0.035 5.162 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -2.068 -0.485 2.679 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.495 0.846 3.780 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.862 0.760 3.079 1.00 0.00 H new ATOM 505 N ILE B 9 -0.528 1.343 8.603 1.00 0.00 N ATOM 506 CA ILE B 9 0.051 2.235 9.601 1.00 0.00 C ATOM 507 C ILE B 9 -0.023 1.603 10.989 1.00 0.00 C ATOM 508 O ILE B 9 0.768 1.925 11.874 1.00 0.00 O ATOM 509 CB ILE B 9 -0.682 3.588 9.583 1.00 0.00 C ATOM 510 CG1 ILE B 9 0.162 4.657 10.312 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.046 3.449 10.269 1.00 0.00 C ATOM 512 CD1 ILE B 9 1.183 5.280 9.347 1.00 0.00 C ATOM 0 H ILE B 9 -1.490 1.563 8.344 1.00 0.00 H new ATOM 0 HA ILE B 9 1.101 2.402 9.358 1.00 0.00 H new ATOM 0 HB ILE B 9 -0.830 3.897 8.548 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -0.490 5.433 10.713 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.680 4.206 11.159 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.561 4.410 10.253 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.645 2.708 9.740 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.903 3.131 11.302 1.00 0.00 H new ATOM 0 HD11 ILE B 9 1.771 6.031 9.874 1.00 0.00 H new ATOM 0 HD12 ILE B 9 1.846 4.503 8.967 1.00 0.00 H new ATOM 0 HD13 ILE B 9 0.658 5.748 8.515 1.00 0.00 H new ATOM 524 N GLY B 10 -0.997 0.717 11.170 1.00 0.00 N ATOM 525 CA GLY B 10 -1.191 0.060 12.457 1.00 0.00 C ATOM 526 C GLY B 10 0.106 -0.561 12.957 1.00 0.00 C ATOM 527 O GLY B 10 0.467 -0.404 14.122 1.00 0.00 O ATOM 0 H GLY B 10 -1.660 0.439 10.447 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -1.556 0.783 13.186 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -1.955 -0.712 12.363 1.00 0.00 H new ATOM 531 N LEU B 11 0.808 -1.266 12.077 1.00 0.00 N ATOM 532 CA LEU B 11 2.066 -1.899 12.459 1.00 0.00 C ATOM 533 C LEU B 11 3.207 -0.883 12.437 1.00 0.00 C ATOM 534 O LEU B 11 4.124 -0.954 13.249 1.00 0.00 O ATOM 535 CB LEU B 11 2.381 -3.064 11.510 1.00 0.00 C ATOM 536 CG LEU B 11 2.412 -2.574 10.035 1.00 0.00 C ATOM 537 CD1 LEU B 11 3.863 -2.368 9.573 1.00 0.00 C ATOM 538 CD2 LEU B 11 1.740 -3.612 9.121 1.00 0.00 C ATOM 0 H LEU B 11 0.533 -1.413 11.106 1.00 0.00 H new ATOM 0 HA LEU B 11 1.964 -2.285 13.473 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.343 -3.505 11.773 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.630 -3.846 11.624 1.00 0.00 H new ATOM 0 HG LEU B 11 1.874 -1.628 9.976 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.870 -2.025 8.538 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.344 -1.622 10.206 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.406 -3.311 9.646 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.766 -3.260 8.090 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.272 -4.560 9.195 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.704 -3.752 9.430 1.00 0.00 H new ATOM 550 N MET B 12 3.149 0.053 11.495 1.00 0.00 N ATOM 551 CA MET B 12 4.176 1.061 11.363 1.00 0.00 C ATOM 552 C MET B 12 4.464 1.733 12.701 1.00 0.00 C ATOM 553 O MET B 12 5.606 1.765 13.161 1.00 0.00 O ATOM 554 CB MET B 12 3.666 2.097 10.366 1.00 0.00 C ATOM 555 CG MET B 12 4.789 3.020 9.925 1.00 0.00 C ATOM 556 SD MET B 12 5.083 4.283 11.193 1.00 0.00 S ATOM 557 CE MET B 12 6.859 4.004 11.429 1.00 0.00 C ATOM 0 H MET B 12 2.395 0.128 10.812 1.00 0.00 H new ATOM 0 HA MET B 12 5.104 0.603 11.021 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.241 1.594 9.498 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.866 2.682 10.820 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.699 2.444 9.755 1.00 0.00 H new ATOM 0 HG3 MET B 12 4.531 3.495 8.979 1.00 0.00 H new ATOM 0 HE1 MET B 12 7.192 4.520 12.330 1.00 0.00 H new ATOM 0 HE2 MET B 12 7.049 2.936 11.531 1.00 0.00 H new ATOM 0 HE3 MET B 12 7.405 4.389 10.568 1.00 0.00 H new ATOM 567 N VAL B 13 3.422 2.260 13.320 1.00 0.00 N ATOM 568 CA VAL B 13 3.565 2.928 14.604 1.00 0.00 C ATOM 569 C VAL B 13 3.943 1.935 15.691 1.00 0.00 C ATOM 570 O VAL B 13 4.476 2.316 16.729 1.00 0.00 O ATOM 571 CB VAL B 13 2.270 3.654 14.962 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.982 4.712 13.890 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.114 2.651 15.027 1.00 0.00 C ATOM 0 H VAL B 13 2.469 2.239 12.956 1.00 0.00 H new ATOM 0 HA VAL B 13 4.368 3.661 14.527 1.00 0.00 H new ATOM 0 HB VAL B 13 2.373 4.135 15.935 1.00 0.00 H new ATOM 0 HG11 VAL B 13 1.059 5.237 14.136 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.806 5.425 13.852 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.876 4.227 12.919 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.192 3.174 15.283 1.00 0.00 H new ATOM 0 HG22 VAL B 13 0.999 2.165 14.058 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.327 1.899 15.787 1.00 0.00 H new ATOM 583 N GLY B 14 3.670 0.658 15.452 1.00 0.00 N ATOM 584 CA GLY B 14 4.004 -0.370 16.426 1.00 0.00 C ATOM 585 C GLY B 14 5.496 -0.704 16.391 1.00 0.00 C ATOM 586 O GLY B 14 6.149 -0.761 17.430 1.00 0.00 O ATOM 0 H GLY B 14 3.223 0.314 14.602 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.728 -0.031 17.425 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.423 -1.269 16.223 1.00 0.00 H new ATOM 590 N GLY B 15 6.029 -0.937 15.188 1.00 0.00 N ATOM 591 CA GLY B 15 7.439 -1.287 15.049 1.00 0.00 C ATOM 592 C GLY B 15 8.315 -0.322 15.831 1.00 0.00 C ATOM 593 O GLY B 15 9.128 -0.732 16.655 1.00 0.00 O ATOM 0 H GLY B 15 5.512 -0.890 14.310 1.00 0.00 H new ATOM 0 HA2 GLY B 15 7.603 -2.304 15.405 1.00 0.00 H new ATOM 0 HA3 GLY B 15 7.721 -1.269 13.996 1.00 0.00 H new ATOM 597 N VAL B 16 8.149 0.960 15.555 1.00 0.00 N ATOM 598 CA VAL B 16 8.941 1.976 16.232 1.00 0.00 C ATOM 599 C VAL B 16 8.976 1.703 17.735 1.00 0.00 C ATOM 600 O VAL B 16 10.044 1.702 18.343 1.00 0.00 O ATOM 601 CB VAL B 16 8.383 3.377 15.956 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.748 3.809 14.534 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.863 3.371 16.108 1.00 0.00 C ATOM 0 H VAL B 16 7.481 1.321 14.874 1.00 0.00 H new ATOM 0 HA VAL B 16 9.958 1.933 15.843 1.00 0.00 H new ATOM 0 HB VAL B 16 8.815 4.077 16.671 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.349 4.805 14.343 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.832 3.825 14.426 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.323 3.105 13.819 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.474 4.370 15.910 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.429 2.666 15.399 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.600 3.073 17.123 1.00 0.00 H new ATOM 613 N VAL B 17 7.813 1.479 18.330 1.00 0.00 N ATOM 614 CA VAL B 17 7.747 1.220 19.764 1.00 0.00 C ATOM 615 C VAL B 17 8.584 -0.006 20.133 1.00 0.00 C ATOM 616 O VAL B 17 9.344 0.024 21.096 1.00 0.00 O ATOM 617 CB VAL B 17 6.298 0.985 20.190 1.00 0.00 C ATOM 618 CG1 VAL B 17 6.261 0.604 21.672 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.480 2.259 19.971 1.00 0.00 C ATOM 0 H VAL B 17 6.912 1.471 17.851 1.00 0.00 H new ATOM 0 HA VAL B 17 8.146 2.092 20.283 1.00 0.00 H new ATOM 0 HB VAL B 17 5.873 0.179 19.593 1.00 0.00 H new ATOM 0 HG11 VAL B 17 5.229 0.436 21.979 1.00 0.00 H new ATOM 0 HG12 VAL B 17 6.839 -0.307 21.828 1.00 0.00 H new ATOM 0 HG13 VAL B 17 6.689 1.411 22.266 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.448 2.086 20.276 1.00 0.00 H new ATOM 0 HG22 VAL B 17 5.903 3.069 20.565 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.505 2.531 18.916 1.00 0.00 H new ATOM 629 N ILE B 18 8.450 -1.076 19.364 1.00 0.00 N ATOM 630 CA ILE B 18 9.226 -2.279 19.648 1.00 0.00 C ATOM 631 C ILE B 18 10.714 -1.964 19.523 1.00 0.00 C ATOM 632 O ILE B 18 11.515 -2.304 20.392 1.00 0.00 O ATOM 633 CB ILE B 18 8.840 -3.403 18.682 1.00 0.00 C ATOM 634 CG1 ILE B 18 7.323 -3.652 18.739 1.00 0.00 C ATOM 635 CG2 ILE B 18 9.583 -4.686 19.055 1.00 0.00 C ATOM 636 CD1 ILE B 18 6.869 -3.936 20.179 1.00 0.00 C ATOM 0 H ILE B 18 7.829 -1.140 18.558 1.00 0.00 H new ATOM 0 HA ILE B 18 9.012 -2.611 20.664 1.00 0.00 H new ATOM 0 HB ILE B 18 9.115 -3.106 17.670 1.00 0.00 H new ATOM 0 HG12 ILE B 18 6.793 -2.782 18.351 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.064 -4.495 18.099 1.00 0.00 H new ATOM 0 HG21 ILE B 18 9.304 -5.482 18.364 1.00 0.00 H new ATOM 0 HG22 ILE B 18 10.658 -4.514 18.996 1.00 0.00 H new ATOM 0 HG23 ILE B 18 9.317 -4.978 20.071 1.00 0.00 H new ATOM 0 HD11 ILE B 18 5.793 -4.109 20.194 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.384 -4.820 20.555 1.00 0.00 H new ATOM 0 HD13 ILE B 18 7.108 -3.081 20.811 1.00 0.00 H new ATOM 648 N ALA B 19 11.068 -1.318 18.426 1.00 0.00 N ATOM 649 CA ALA B 19 12.460 -0.961 18.180 1.00 0.00 C ATOM 650 C ALA B 19 13.023 -0.163 19.356 1.00 0.00 C ATOM 651 O ALA B 19 14.189 -0.319 19.720 1.00 0.00 O ATOM 652 CB ALA B 19 12.581 -0.141 16.895 1.00 0.00 C ATOM 0 H ALA B 19 10.418 -1.030 17.694 1.00 0.00 H new ATOM 0 HA ALA B 19 13.034 -1.881 18.069 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.626 0.118 16.725 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.211 -0.727 16.053 1.00 0.00 H new ATOM 0 HB3 ALA B 19 11.992 0.771 16.989 1.00 0.00 H new ATOM 658 N THR B 20 12.194 0.696 19.946 1.00 0.00 N ATOM 659 CA THR B 20 12.634 1.512 21.078 1.00 0.00 C ATOM 660 C THR B 20 12.879 0.656 22.308 1.00 0.00 C ATOM 661 O THR B 20 13.581 1.074 23.218 1.00 0.00 O ATOM 662 CB THR B 20 11.577 2.580 21.414 1.00 0.00 C ATOM 663 OG1 THR B 20 10.408 1.941 21.900 1.00 0.00 O ATOM 664 CG2 THR B 20 11.210 3.412 20.165 1.00 0.00 C ATOM 0 H THR B 20 11.225 0.845 19.664 1.00 0.00 H new ATOM 0 HA THR B 20 13.568 1.996 20.790 1.00 0.00 H new ATOM 0 HB THR B 20 11.991 3.248 22.169 1.00 0.00 H new ATOM 0 HG1 THR B 20 10.202 1.165 21.338 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.462 4.158 20.432 1.00 0.00 H new ATOM 0 HG22 THR B 20 12.101 3.912 19.786 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.808 2.754 19.395 1.00 0.00 H new ATOM 672 N MET B 21 12.280 -0.526 22.339 1.00 0.00 N ATOM 673 CA MET B 21 12.434 -1.424 23.480 1.00 0.00 C ATOM 674 C MET B 21 13.719 -2.239 23.391 1.00 0.00 C ATOM 675 O MET B 21 14.365 -2.482 24.411 1.00 0.00 O ATOM 676 CB MET B 21 11.240 -2.380 23.570 1.00 0.00 C ATOM 677 CG MET B 21 9.968 -1.602 23.925 1.00 0.00 C ATOM 678 SD MET B 21 10.098 -0.961 25.618 1.00 0.00 S ATOM 679 CE MET B 21 10.039 0.806 25.225 1.00 0.00 C ATOM 0 H MET B 21 11.685 -0.886 21.593 1.00 0.00 H new ATOM 0 HA MET B 21 12.482 -0.802 24.374 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.106 -2.897 22.620 1.00 0.00 H new ATOM 0 HB3 MET B 21 11.431 -3.143 24.324 1.00 0.00 H new ATOM 0 HG2 MET B 21 9.825 -0.780 23.224 1.00 0.00 H new ATOM 0 HG3 MET B 21 9.096 -2.251 23.837 1.00 0.00 H new ATOM 0 HE1 MET B 21 10.106 1.386 26.145 1.00 0.00 H new ATOM 0 HE2 MET B 21 10.874 1.062 24.573 1.00 0.00 H new ATOM 0 HE3 MET B 21 9.101 1.035 24.720 1.00 0.00 H new ATOM 689 N ILE B 22 14.092 -2.677 22.187 1.00 0.00 N ATOM 690 CA ILE B 22 15.303 -3.476 22.028 1.00 0.00 C ATOM 691 C ILE B 22 16.564 -2.647 22.257 1.00 0.00 C ATOM 692 O ILE B 22 17.488 -3.093 22.927 1.00 0.00 O ATOM 693 CB ILE B 22 15.342 -4.073 20.620 1.00 0.00 C ATOM 694 CG1 ILE B 22 14.185 -5.064 20.460 1.00 0.00 C ATOM 695 CG2 ILE B 22 16.674 -4.809 20.411 1.00 0.00 C ATOM 696 CD1 ILE B 22 14.013 -5.409 18.980 1.00 0.00 C ATOM 0 H ILE B 22 13.581 -2.495 21.323 1.00 0.00 H new ATOM 0 HA ILE B 22 15.278 -4.268 22.776 1.00 0.00 H new ATOM 0 HB ILE B 22 15.248 -3.275 19.883 1.00 0.00 H new ATOM 0 HG12 ILE B 22 14.384 -5.968 21.035 1.00 0.00 H new ATOM 0 HG13 ILE B 22 13.265 -4.632 20.854 1.00 0.00 H new ATOM 0 HG21 ILE B 22 16.701 -5.234 19.408 1.00 0.00 H new ATOM 0 HG22 ILE B 22 17.500 -4.108 20.530 1.00 0.00 H new ATOM 0 HG23 ILE B 22 16.767 -5.608 21.146 1.00 0.00 H new ATOM 0 HD11 ILE B 22 13.190 -6.114 18.864 1.00 0.00 H new ATOM 0 HD12 ILE B 22 13.795 -4.501 18.418 1.00 0.00 H new ATOM 0 HD13 ILE B 22 14.931 -5.858 18.602 1.00 0.00 H new ATOM 708 N VAL B 23 16.617 -1.457 21.668 1.00 0.00 N ATOM 709 CA VAL B 23 17.795 -0.609 21.792 1.00 0.00 C ATOM 710 C VAL B 23 18.191 -0.446 23.247 1.00 0.00 C ATOM 711 O VAL B 23 19.374 -0.416 23.576 1.00 0.00 O ATOM 712 CB VAL B 23 17.496 0.760 21.192 1.00 0.00 C ATOM 713 CG1 VAL B 23 17.078 0.606 19.713 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.363 1.422 22.005 1.00 0.00 C ATOM 0 H VAL B 23 15.864 -1.061 21.105 1.00 0.00 H new ATOM 0 HA VAL B 23 18.621 -1.079 21.258 1.00 0.00 H new ATOM 0 HB VAL B 23 18.387 1.387 21.233 1.00 0.00 H new ATOM 0 HG11 VAL B 23 16.866 1.588 19.291 1.00 0.00 H new ATOM 0 HG12 VAL B 23 17.887 0.137 19.153 1.00 0.00 H new ATOM 0 HG13 VAL B 23 16.185 -0.016 19.650 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.139 2.403 21.586 1.00 0.00 H new ATOM 0 HG22 VAL B 23 15.471 0.797 21.962 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.677 1.534 23.043 1.00 0.00 H new ATOM 724 N ILE B 24 17.202 -0.348 24.124 1.00 0.00 N ATOM 725 CA ILE B 24 17.496 -0.197 25.550 1.00 0.00 C ATOM 726 C ILE B 24 18.540 -1.232 25.966 1.00 0.00 C ATOM 727 O ILE B 24 19.511 -0.909 26.648 1.00 0.00 O ATOM 728 CB ILE B 24 16.225 -0.403 26.373 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.123 0.529 25.864 1.00 0.00 C ATOM 730 CG2 ILE B 24 16.504 -0.121 27.849 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.599 1.992 25.860 1.00 0.00 C ATOM 0 H ILE B 24 16.210 -0.369 23.886 1.00 0.00 H new ATOM 0 HA ILE B 24 17.879 0.808 25.729 1.00 0.00 H new ATOM 0 HB ILE B 24 15.897 -1.437 26.268 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.830 0.235 24.856 1.00 0.00 H new ATOM 0 HG13 ILE B 24 14.239 0.432 26.494 1.00 0.00 H new ATOM 0 HG21 ILE B 24 15.592 -0.271 28.427 1.00 0.00 H new ATOM 0 HG22 ILE B 24 17.277 -0.800 28.209 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.842 0.909 27.965 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.798 2.634 25.494 1.00 0.00 H new ATOM 0 HD12 ILE B 24 15.869 2.290 26.873 1.00 0.00 H new ATOM 0 HD13 ILE B 24 16.468 2.090 25.210 1.00 0.00 H new ATOM 743 N THR B 25 18.340 -2.474 25.536 1.00 0.00 N ATOM 744 CA THR B 25 19.292 -3.541 25.858 1.00 0.00 C ATOM 745 C THR B 25 20.659 -3.200 25.255 1.00 0.00 C ATOM 746 O THR B 25 21.677 -3.203 25.949 1.00 0.00 O ATOM 747 CB THR B 25 18.762 -4.876 25.302 1.00 0.00 C ATOM 748 OG1 THR B 25 17.768 -5.380 26.180 1.00 0.00 O ATOM 749 CG2 THR B 25 19.886 -5.910 25.159 1.00 0.00 C ATOM 0 H THR B 25 17.542 -2.767 24.973 1.00 0.00 H new ATOM 0 HA THR B 25 19.405 -3.634 26.938 1.00 0.00 H new ATOM 0 HB THR B 25 18.342 -4.695 24.313 1.00 0.00 H new ATOM 0 HG1 THR B 25 17.424 -6.229 25.832 1.00 0.00 H new ATOM 0 HG21 THR B 25 19.477 -6.840 24.764 1.00 0.00 H new ATOM 0 HG22 THR B 25 20.646 -5.529 24.477 1.00 0.00 H new ATOM 0 HG23 THR B 25 20.335 -6.096 26.135 1.00 0.00 H new ATOM 757 N LEU B 26 20.663 -2.911 23.961 1.00 0.00 N ATOM 758 CA LEU B 26 21.896 -2.571 23.254 1.00 0.00 C ATOM 759 C LEU B 26 22.664 -1.497 24.022 1.00 0.00 C ATOM 760 O LEU B 26 23.882 -1.579 24.176 1.00 0.00 O ATOM 761 CB LEU B 26 21.531 -2.070 21.851 1.00 0.00 C ATOM 762 CG LEU B 26 22.758 -1.543 21.077 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.199 -0.144 21.575 1.00 0.00 C ATOM 764 CD2 LEU B 26 23.923 -2.547 21.176 1.00 0.00 C ATOM 0 H LEU B 26 19.827 -2.904 23.377 1.00 0.00 H new ATOM 0 HA LEU B 26 22.535 -3.451 23.175 1.00 0.00 H new ATOM 0 HB2 LEU B 26 21.070 -2.881 21.287 1.00 0.00 H new ATOM 0 HB3 LEU B 26 20.788 -1.276 21.933 1.00 0.00 H new ATOM 0 HG LEU B 26 22.468 -1.437 20.031 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.065 0.189 21.004 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.381 0.564 21.441 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.461 -0.200 22.632 1.00 0.00 H new ATOM 0 HD21 LEU B 26 24.782 -2.163 20.626 1.00 0.00 H new ATOM 0 HD22 LEU B 26 24.195 -2.687 22.222 1.00 0.00 H new ATOM 0 HD23 LEU B 26 23.617 -3.503 20.750 1.00 0.00 H new ATOM 776 N VAL B 27 21.940 -0.515 24.536 1.00 0.00 N ATOM 777 CA VAL B 27 22.574 0.542 25.316 1.00 0.00 C ATOM 778 C VAL B 27 23.150 -0.046 26.601 1.00 0.00 C ATOM 779 O VAL B 27 24.361 -0.056 26.803 1.00 0.00 O ATOM 780 CB VAL B 27 21.558 1.635 25.649 1.00 0.00 C ATOM 781 CG1 VAL B 27 22.230 2.719 26.497 1.00 0.00 C ATOM 782 CG2 VAL B 27 21.042 2.257 24.351 1.00 0.00 C ATOM 0 H VAL B 27 20.929 -0.426 24.431 1.00 0.00 H new ATOM 0 HA VAL B 27 23.380 0.983 24.730 1.00 0.00 H new ATOM 0 HB VAL B 27 20.727 1.201 26.206 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.505 3.498 26.734 1.00 0.00 H new ATOM 0 HG12 VAL B 27 22.604 2.278 27.421 1.00 0.00 H new ATOM 0 HG13 VAL B 27 23.060 3.154 25.940 1.00 0.00 H new ATOM 0 HG21 VAL B 27 20.317 3.037 24.584 1.00 0.00 H new ATOM 0 HG22 VAL B 27 21.876 2.690 23.798 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.565 1.488 23.744 1.00 0.00 H new ATOM 792 N MET B 28 22.268 -0.530 27.465 1.00 0.00 N ATOM 793 CA MET B 28 22.692 -1.121 28.732 1.00 0.00 C ATOM 794 C MET B 28 23.820 -2.126 28.508 1.00 0.00 C ATOM 795 O MET B 28 24.615 -2.384 29.413 1.00 0.00 O ATOM 796 CB MET B 28 21.508 -1.819 29.410 1.00 0.00 C ATOM 797 CG MET B 28 20.439 -0.786 29.795 1.00 0.00 C ATOM 798 SD MET B 28 21.083 0.343 31.060 1.00 0.00 S ATOM 799 CE MET B 28 20.907 -0.751 32.495 1.00 0.00 C ATOM 0 H MET B 28 21.259 -0.526 27.315 1.00 0.00 H new ATOM 0 HA MET B 28 23.058 -0.322 29.376 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.081 -2.563 28.738 1.00 0.00 H new ATOM 0 HB3 MET B 28 21.849 -2.350 30.299 1.00 0.00 H new ATOM 0 HG2 MET B 28 20.135 -0.221 28.914 1.00 0.00 H new ATOM 0 HG3 MET B 28 19.550 -1.294 30.170 1.00 0.00 H new ATOM 0 HE1 MET B 28 20.174 -0.332 33.184 1.00 0.00 H new ATOM 0 HE2 MET B 28 20.573 -1.734 32.164 1.00 0.00 H new ATOM 0 HE3 MET B 28 21.868 -0.845 33.001 1.00 0.00 H new ATOM 809 N LEU B 29 23.901 -2.679 27.299 1.00 0.00 N ATOM 810 CA LEU B 29 24.958 -3.636 26.983 1.00 0.00 C ATOM 811 C LEU B 29 26.289 -2.921 26.798 1.00 0.00 C ATOM 812 O LEU B 29 27.344 -3.514 27.003 1.00 0.00 O ATOM 813 CB LEU B 29 24.608 -4.445 25.719 1.00 0.00 C ATOM 814 CG LEU B 29 23.658 -5.609 26.073 1.00 0.00 C ATOM 815 CD1 LEU B 29 23.177 -6.281 24.780 1.00 0.00 C ATOM 816 CD2 LEU B 29 24.384 -6.649 26.963 1.00 0.00 C ATOM 0 H LEU B 29 23.257 -2.484 26.532 1.00 0.00 H new ATOM 0 HA LEU B 29 25.046 -4.328 27.820 1.00 0.00 H new ATOM 0 HB2 LEU B 29 24.138 -3.795 24.981 1.00 0.00 H new ATOM 0 HB3 LEU B 29 25.519 -4.835 25.265 1.00 0.00 H new ATOM 0 HG LEU B 29 22.804 -5.216 26.624 1.00 0.00 H new ATOM 0 HD11 LEU B 29 22.506 -7.104 25.026 1.00 0.00 H new ATOM 0 HD12 LEU B 29 22.648 -5.552 24.166 1.00 0.00 H new ATOM 0 HD13 LEU B 29 24.035 -6.665 24.229 1.00 0.00 H new ATOM 0 HD21 LEU B 29 23.700 -7.463 27.203 1.00 0.00 H new ATOM 0 HD22 LEU B 29 25.247 -7.046 26.428 1.00 0.00 H new ATOM 0 HD23 LEU B 29 24.717 -6.171 27.884 1.00 0.00 H new ATOM 828 N LYS B 30 26.245 -1.651 26.402 1.00 0.00 N ATOM 829 CA LYS B 30 27.474 -0.894 26.200 1.00 0.00 C ATOM 830 C LYS B 30 28.460 -1.136 27.344 1.00 0.00 C ATOM 831 O LYS B 30 29.646 -0.830 27.224 1.00 0.00 O ATOM 832 CB LYS B 30 27.170 0.605 26.112 1.00 0.00 C ATOM 833 CG LYS B 30 26.507 0.922 24.771 1.00 0.00 C ATOM 834 CD LYS B 30 26.145 2.409 24.722 1.00 0.00 C ATOM 835 CE LYS B 30 25.514 2.742 23.368 1.00 0.00 C ATOM 836 NZ LYS B 30 26.545 2.624 22.300 1.00 0.00 N ATOM 0 H LYS B 30 25.386 -1.133 26.218 1.00 0.00 H new ATOM 0 HA LYS B 30 27.921 -1.233 25.266 1.00 0.00 H new ATOM 0 HB2 LYS B 30 26.514 0.901 26.931 1.00 0.00 H new ATOM 0 HB3 LYS B 30 28.091 1.179 26.217 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.181 0.673 23.952 1.00 0.00 H new ATOM 0 HG3 LYS B 30 25.612 0.314 24.643 1.00 0.00 H new ATOM 0 HD2 LYS B 30 25.451 2.651 25.527 1.00 0.00 H new ATOM 0 HD3 LYS B 30 27.037 3.016 24.877 1.00 0.00 H new ATOM 0 HE2 LYS B 30 24.684 2.065 23.164 1.00 0.00 H new ATOM 0 HE3 LYS B 30 25.105 3.752 23.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 26.231 3.143 21.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 27.443 3.024 22.639 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 26.682 1.622 22.059 1.00 0.00 H new ATOM 850 N LYS B 31 27.965 -1.690 28.454 1.00 0.00 N ATOM 851 CA LYS B 31 28.818 -1.973 29.613 1.00 0.00 C ATOM 852 C LYS B 31 29.202 -3.451 29.636 1.00 0.00 C ATOM 853 O LYS B 31 29.542 -4.000 30.684 1.00 0.00 O ATOM 854 CB LYS B 31 28.076 -1.623 30.906 1.00 0.00 C ATOM 855 CG LYS B 31 27.567 -0.175 30.854 1.00 0.00 C ATOM 856 CD LYS B 31 28.741 0.805 30.764 1.00 0.00 C ATOM 857 CE LYS B 31 28.253 2.218 31.091 1.00 0.00 C ATOM 858 NZ LYS B 31 29.405 3.161 31.047 1.00 0.00 N ATOM 0 H LYS B 31 26.986 -1.950 28.575 1.00 0.00 H new ATOM 0 HA LYS B 31 29.721 -1.368 29.536 1.00 0.00 H new ATOM 0 HB2 LYS B 31 27.238 -2.305 31.048 1.00 0.00 H new ATOM 0 HB3 LYS B 31 28.740 -1.752 31.761 1.00 0.00 H new ATOM 0 HG2 LYS B 31 26.911 -0.045 29.994 1.00 0.00 H new ATOM 0 HG3 LYS B 31 26.974 0.040 31.743 1.00 0.00 H new ATOM 0 HD2 LYS B 31 29.528 0.511 31.458 1.00 0.00 H new ATOM 0 HD3 LYS B 31 29.173 0.780 29.764 1.00 0.00 H new ATOM 0 HE2 LYS B 31 27.489 2.526 30.376 1.00 0.00 H new ATOM 0 HE3 LYS B 31 27.791 2.236 32.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 29.076 4.122 31.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 30.119 2.870 31.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 29.826 3.150 30.096 1.00 0.00 H new ATOM 872 N LYS B 32 29.148 -4.086 28.470 1.00 0.00 N ATOM 873 CA LYS B 32 29.494 -5.499 28.356 1.00 0.00 C ATOM 874 C LYS B 32 30.773 -5.803 29.130 1.00 0.00 C ATOM 875 O LYS B 32 31.302 -6.890 28.960 1.00 0.00 O ATOM 876 CB LYS B 32 29.682 -5.877 26.883 1.00 0.00 C ATOM 877 CG LYS B 32 30.813 -5.043 26.275 1.00 0.00 C ATOM 878 CD LYS B 32 30.934 -5.360 24.783 1.00 0.00 C ATOM 879 CE LYS B 32 32.033 -4.496 24.162 1.00 0.00 C ATOM 880 NZ LYS B 32 33.344 -4.824 24.791 1.00 0.00 N ATOM 0 H LYS B 32 28.869 -3.647 27.593 1.00 0.00 H new ATOM 0 HA LYS B 32 28.679 -6.087 28.779 1.00 0.00 H new ATOM 0 HB2 LYS B 32 29.914 -6.939 26.797 1.00 0.00 H new ATOM 0 HB3 LYS B 32 28.756 -5.707 26.333 1.00 0.00 H new ATOM 0 HG2 LYS B 32 30.613 -3.981 26.417 1.00 0.00 H new ATOM 0 HG3 LYS B 32 31.753 -5.261 26.782 1.00 0.00 H new ATOM 0 HD2 LYS B 32 31.165 -6.416 24.643 1.00 0.00 H new ATOM 0 HD3 LYS B 32 29.984 -5.172 24.283 1.00 0.00 H new ATOM 0 HE2 LYS B 32 32.081 -4.669 23.087 1.00 0.00 H new ATOM 0 HE3 LYS B 32 31.804 -3.440 24.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 34.116 -4.495 24.176 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 33.413 -4.353 25.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 33.419 -5.853 24.921 1.00 0.00 H new TER 894 LYS B 32