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 Single : A 5 LYS NZ :NH3+ -161:sc= -0.0944 (180deg=-0.575) USER MOD Single : A 12 MET CE :methyl -174:sc= -0.063 (180deg=-0.172) USER MOD Single : A 20 THR OG1 : rot 123:sc= -4.12! USER MOD Single : A 21 MET CE :methyl -153:sc= -0.0944 (180deg=-0.178) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0473 (180deg=-0.506) 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+ -161:sc= -0.0594 (180deg=-0.533) USER MOD Single : B 12 MET CE :methyl -173:sc= -0.068 (180deg=-0.185) USER MOD Single : B 20 THR OG1 : rot 123:sc= -4.05! USER MOD Single : B 21 MET CE :methyl 162:sc= -0.0513 (180deg=-0.159) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ -162:sc= -0.0685 (180deg=-0.461) 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 2.959 1.346 -2.471 1.00 0.00 N ATOM 2 CA LYS A 5 3.684 2.549 -2.968 1.00 0.00 C ATOM 3 C LYS A 5 4.947 2.759 -2.145 1.00 0.00 C ATOM 4 O LYS A 5 4.983 2.455 -0.953 1.00 0.00 O ATOM 5 CB LYS A 5 2.772 3.773 -2.856 1.00 0.00 C ATOM 6 CG LYS A 5 1.626 3.644 -3.861 1.00 0.00 C ATOM 7 CD LYS A 5 0.696 4.852 -3.736 1.00 0.00 C ATOM 8 CE LYS A 5 -0.481 4.691 -4.700 1.00 0.00 C ATOM 9 NZ LYS A 5 0.028 4.629 -6.101 1.00 0.00 N ATOM 0 HA LYS A 5 3.962 2.405 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.376 3.854 -1.844 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.340 4.683 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.023 3.581 -4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.070 2.724 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.332 4.940 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.241 5.769 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.037 3.784 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.172 5.527 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.747 4.842 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.790 5.326 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.396 3.676 -6.295 1.00 0.00 H new ATOM 22 N GLY A 6 5.984 3.282 -2.791 1.00 0.00 N ATOM 23 CA GLY A 6 7.246 3.527 -2.109 1.00 0.00 C ATOM 24 C GLY A 6 7.053 4.519 -0.976 1.00 0.00 C ATOM 25 O GLY A 6 7.805 4.525 -0.002 1.00 0.00 O ATOM 0 H GLY A 6 5.975 3.542 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 6 7.642 2.590 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.980 3.912 -2.817 1.00 0.00 H new ATOM 29 N ALA A 7 6.036 5.354 -1.105 1.00 0.00 N ATOM 30 CA ALA A 7 5.746 6.338 -0.078 1.00 0.00 C ATOM 31 C ALA A 7 5.337 5.642 1.217 1.00 0.00 C ATOM 32 O ALA A 7 5.666 6.105 2.311 1.00 0.00 O ATOM 33 CB ALA A 7 4.620 7.264 -0.544 1.00 0.00 C ATOM 0 H ALA A 7 5.402 5.370 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 7 6.644 6.929 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.409 7.999 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.925 7.777 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.723 6.676 -0.741 1.00 0.00 H new ATOM 39 N ILE A 8 4.611 4.529 1.090 1.00 0.00 N ATOM 40 CA ILE A 8 4.158 3.789 2.270 1.00 0.00 C ATOM 41 C ILE A 8 5.336 3.224 3.064 1.00 0.00 C ATOM 42 O ILE A 8 5.451 3.458 4.268 1.00 0.00 O ATOM 43 CB ILE A 8 3.240 2.641 1.840 1.00 0.00 C ATOM 44 CG1 ILE A 8 1.968 3.213 1.209 1.00 0.00 C ATOM 45 CG2 ILE A 8 2.865 1.797 3.061 1.00 0.00 C ATOM 46 CD1 ILE A 8 1.190 2.088 0.524 1.00 0.00 C ATOM 0 H ILE A 8 4.328 4.125 0.197 1.00 0.00 H new ATOM 0 HA ILE A 8 3.615 4.483 2.911 1.00 0.00 H new ATOM 0 HB ILE A 8 3.760 2.017 1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.350 3.684 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.224 3.986 0.485 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.212 0.981 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.769 1.388 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.347 2.421 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.284 2.494 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.809 1.637 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.922 1.330 1.260 1.00 0.00 H new ATOM 58 N ILE A 9 6.204 2.478 2.387 1.00 0.00 N ATOM 59 CA ILE A 9 7.361 1.886 3.046 1.00 0.00 C ATOM 60 C ILE A 9 8.361 2.974 3.419 1.00 0.00 C ATOM 61 O ILE A 9 8.982 2.931 4.479 1.00 0.00 O ATOM 62 CB ILE A 9 8.012 0.840 2.129 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.036 0.004 2.918 1.00 0.00 C ATOM 64 CG2 ILE A 9 8.716 1.543 0.971 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.327 -1.061 3.765 1.00 0.00 C ATOM 0 H ILE A 9 6.129 2.271 1.391 1.00 0.00 H new ATOM 0 HA ILE A 9 7.036 1.388 3.959 1.00 0.00 H new ATOM 0 HB ILE A 9 7.237 0.179 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.731 -0.475 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.626 0.656 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.178 0.800 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.989 2.122 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.484 2.209 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.068 -1.641 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.651 -0.575 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.758 -1.724 3.114 1.00 0.00 H new ATOM 77 N GLY A 10 8.508 3.951 2.534 1.00 0.00 N ATOM 78 CA GLY A 10 9.435 5.049 2.776 1.00 0.00 C ATOM 79 C GLY A 10 9.303 5.555 4.209 1.00 0.00 C ATOM 80 O GLY A 10 10.303 5.743 4.902 1.00 0.00 O ATOM 0 H GLY A 10 8.003 4.006 1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.457 4.716 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.235 5.862 2.077 1.00 0.00 H new ATOM 84 N LEU A 11 8.064 5.750 4.654 1.00 0.00 N ATOM 85 CA LEU A 11 7.815 6.208 6.010 1.00 0.00 C ATOM 86 C LEU A 11 8.083 5.088 7.020 1.00 0.00 C ATOM 87 O LEU A 11 8.608 5.340 8.097 1.00 0.00 O ATOM 88 CB LEU A 11 6.374 6.721 6.136 1.00 0.00 C ATOM 89 CG LEU A 11 6.081 7.144 7.581 1.00 0.00 C ATOM 90 CD1 LEU A 11 7.110 8.183 8.055 1.00 0.00 C ATOM 91 CD2 LEU A 11 4.678 7.756 7.648 1.00 0.00 C ATOM 0 H LEU A 11 7.224 5.598 4.096 1.00 0.00 H new ATOM 0 HA LEU A 11 8.498 7.028 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.222 7.567 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.676 5.942 5.830 1.00 0.00 H new ATOM 0 HG LEU A 11 6.142 6.268 8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.888 8.473 9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.110 7.752 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.062 9.062 7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.462 8.059 8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.629 8.626 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.943 7.018 7.326 1.00 0.00 H new ATOM 103 N MET A 12 7.717 3.853 6.668 1.00 0.00 N ATOM 104 CA MET A 12 7.919 2.713 7.546 1.00 0.00 C ATOM 105 C MET A 12 9.356 2.661 8.051 1.00 0.00 C ATOM 106 O MET A 12 9.604 2.661 9.258 1.00 0.00 O ATOM 107 CB MET A 12 7.610 1.454 6.739 1.00 0.00 C ATOM 108 CG MET A 12 7.508 0.239 7.644 1.00 0.00 C ATOM 109 SD MET A 12 9.169 -0.337 8.092 1.00 0.00 S ATOM 110 CE MET A 12 8.951 -0.373 9.891 1.00 0.00 C ATOM 0 H MET A 12 7.278 3.623 5.776 1.00 0.00 H new ATOM 0 HA MET A 12 7.266 2.793 8.415 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.675 1.587 6.195 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.391 1.294 5.995 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.946 0.491 8.543 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.961 -0.557 7.139 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.903 -0.603 10.368 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.599 0.600 10.234 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.220 -1.137 10.154 1.00 0.00 H new ATOM 120 N VAL A 13 10.297 2.612 7.120 1.00 0.00 N ATOM 121 CA VAL A 13 11.709 2.548 7.473 1.00 0.00 C ATOM 122 C VAL A 13 12.161 3.825 8.174 1.00 0.00 C ATOM 123 O VAL A 13 13.168 3.819 8.880 1.00 0.00 O ATOM 124 CB VAL A 13 12.563 2.288 6.233 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.207 0.914 5.662 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.295 3.364 5.179 1.00 0.00 C ATOM 0 H VAL A 13 10.110 2.615 6.117 1.00 0.00 H new ATOM 0 HA VAL A 13 11.842 1.718 8.167 1.00 0.00 H new ATOM 0 HB VAL A 13 13.618 2.315 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.812 0.720 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.404 0.147 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.151 0.895 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.908 3.171 4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.242 3.345 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.544 4.343 5.587 1.00 0.00 H new ATOM 136 N GLY A 14 11.420 4.919 7.996 1.00 0.00 N ATOM 137 CA GLY A 14 11.773 6.176 8.650 1.00 0.00 C ATOM 138 C GLY A 14 11.286 6.194 10.101 1.00 0.00 C ATOM 139 O GLY A 14 11.987 6.671 10.992 1.00 0.00 O ATOM 0 H GLY A 14 10.584 4.960 7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.854 6.313 8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.333 7.010 8.104 1.00 0.00 H new ATOM 143 N GLY A 15 10.072 5.681 10.328 1.00 0.00 N ATOM 144 CA GLY A 15 9.514 5.659 11.671 1.00 0.00 C ATOM 145 C GLY A 15 10.500 5.011 12.630 1.00 0.00 C ATOM 146 O GLY A 15 10.855 5.591 13.645 1.00 0.00 O ATOM 0 H GLY A 15 9.470 5.283 9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.289 6.674 11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.574 5.108 11.675 1.00 0.00 H new ATOM 150 N VAL A 16 10.921 3.797 12.303 1.00 0.00 N ATOM 151 CA VAL A 16 11.849 3.072 13.161 1.00 0.00 C ATOM 152 C VAL A 16 12.973 3.994 13.631 1.00 0.00 C ATOM 153 O VAL A 16 13.250 4.079 14.826 1.00 0.00 O ATOM 154 CB VAL A 16 12.425 1.853 12.427 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.379 0.736 12.392 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.804 2.227 10.993 1.00 0.00 C ATOM 0 H VAL A 16 10.639 3.298 11.460 1.00 0.00 H new ATOM 0 HA VAL A 16 11.303 2.718 14.036 1.00 0.00 H new ATOM 0 HB VAL A 16 13.315 1.514 12.956 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.788 -0.129 11.871 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.114 0.454 13.411 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.489 1.087 11.869 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.211 1.353 10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.918 2.576 10.462 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.553 3.019 11.009 1.00 0.00 H new ATOM 166 N VAL A 17 13.611 4.678 12.696 1.00 0.00 N ATOM 167 CA VAL A 17 14.701 5.583 13.040 1.00 0.00 C ATOM 168 C VAL A 17 14.241 6.628 14.060 1.00 0.00 C ATOM 169 O VAL A 17 14.961 6.949 15.000 1.00 0.00 O ATOM 170 CB VAL A 17 15.188 6.300 11.782 1.00 0.00 C ATOM 171 CG1 VAL A 17 16.218 7.361 12.170 1.00 0.00 C ATOM 172 CG2 VAL A 17 15.825 5.289 10.822 1.00 0.00 C ATOM 0 H VAL A 17 13.397 4.627 11.700 1.00 0.00 H new ATOM 0 HA VAL A 17 15.509 4.995 13.475 1.00 0.00 H new ATOM 0 HB VAL A 17 14.342 6.777 11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.567 7.874 11.274 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.760 8.083 12.846 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.063 6.884 12.667 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.171 5.805 9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.671 4.806 11.311 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.087 4.536 10.545 1.00 0.00 H new ATOM 182 N ILE A 18 13.046 7.158 13.856 1.00 0.00 N ATOM 183 CA ILE A 18 12.516 8.159 14.775 1.00 0.00 C ATOM 184 C ILE A 18 12.205 7.525 16.131 1.00 0.00 C ATOM 185 O ILE A 18 12.584 8.047 17.179 1.00 0.00 O ATOM 186 CB ILE A 18 11.254 8.790 14.189 1.00 0.00 C ATOM 187 CG1 ILE A 18 11.630 9.592 12.941 1.00 0.00 C ATOM 188 CG2 ILE A 18 10.618 9.724 15.223 1.00 0.00 C ATOM 189 CD1 ILE A 18 10.362 10.005 12.192 1.00 0.00 C ATOM 0 H ILE A 18 12.432 6.919 13.077 1.00 0.00 H new ATOM 0 HA ILE A 18 13.268 8.935 14.918 1.00 0.00 H new ATOM 0 HB ILE A 18 10.542 8.008 13.925 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.201 10.476 13.224 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.269 8.994 12.291 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.718 10.173 14.803 1.00 0.00 H new ATOM 0 HG22 ILE A 18 10.357 9.155 16.115 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.326 10.510 15.488 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.634 10.576 11.304 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.808 9.114 11.895 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.739 10.620 12.842 1.00 0.00 H new ATOM 201 N ALA A 19 11.480 6.416 16.092 1.00 0.00 N ATOM 202 CA ALA A 19 11.071 5.725 17.308 1.00 0.00 C ATOM 203 C ALA A 19 12.268 5.320 18.161 1.00 0.00 C ATOM 204 O ALA A 19 12.209 5.398 19.388 1.00 0.00 O ATOM 205 CB ALA A 19 10.251 4.485 16.950 1.00 0.00 C ATOM 0 H ALA A 19 11.162 5.974 15.229 1.00 0.00 H new ATOM 0 HA ALA A 19 10.463 6.416 17.892 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.948 3.973 17.863 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.364 4.784 16.391 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.855 3.813 16.340 1.00 0.00 H new ATOM 211 N THR A 20 13.348 4.874 17.524 1.00 0.00 N ATOM 212 CA THR A 20 14.531 4.452 18.268 1.00 0.00 C ATOM 213 C THR A 20 15.347 5.661 18.686 1.00 0.00 C ATOM 214 O THR A 20 16.177 5.582 19.591 1.00 0.00 O ATOM 215 CB THR A 20 15.368 3.498 17.421 1.00 0.00 C ATOM 216 OG1 THR A 20 16.382 2.920 18.214 1.00 0.00 O ATOM 217 CG2 THR A 20 15.998 4.246 16.252 1.00 0.00 C ATOM 0 H THR A 20 13.429 4.796 16.510 1.00 0.00 H new ATOM 0 HA THR A 20 14.216 3.926 19.169 1.00 0.00 H new ATOM 0 HB THR A 20 14.720 2.713 17.032 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.305 1.944 18.182 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.593 3.554 15.655 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.213 4.678 15.631 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.639 5.041 16.632 1.00 0.00 H new ATOM 225 N MET A 21 15.091 6.798 18.045 1.00 0.00 N ATOM 226 CA MET A 21 15.791 8.017 18.397 1.00 0.00 C ATOM 227 C MET A 21 15.158 8.613 19.654 1.00 0.00 C ATOM 228 O MET A 21 15.841 9.246 20.453 1.00 0.00 O ATOM 229 CB MET A 21 15.747 9.022 17.223 1.00 0.00 C ATOM 230 CG MET A 21 17.118 9.089 16.521 1.00 0.00 C ATOM 231 SD MET A 21 17.728 7.410 16.186 1.00 0.00 S ATOM 232 CE MET A 21 19.253 7.464 17.176 1.00 0.00 C ATOM 0 H MET A 21 14.412 6.895 17.290 1.00 0.00 H new ATOM 0 HA MET A 21 16.838 7.792 18.600 1.00 0.00 H new ATOM 0 HB2 MET A 21 14.980 8.723 16.509 1.00 0.00 H new ATOM 0 HB3 MET A 21 15.472 10.010 17.592 1.00 0.00 H new ATOM 0 HG2 MET A 21 17.031 9.646 15.588 1.00 0.00 H new ATOM 0 HG3 MET A 21 17.831 9.625 17.147 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.984 6.774 16.755 1.00 0.00 H new ATOM 0 HE2 MET A 21 19.659 8.475 17.164 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.030 7.175 18.203 1.00 0.00 H new ATOM 242 N ILE A 22 13.849 8.419 19.829 1.00 0.00 N ATOM 243 CA ILE A 22 13.179 8.963 21.007 1.00 0.00 C ATOM 244 C ILE A 22 13.733 8.325 22.278 1.00 0.00 C ATOM 245 O ILE A 22 14.031 9.023 23.246 1.00 0.00 O ATOM 246 CB ILE A 22 11.664 8.715 20.925 1.00 0.00 C ATOM 247 CG1 ILE A 22 11.071 9.550 19.783 1.00 0.00 C ATOM 248 CG2 ILE A 22 11.008 9.128 22.249 1.00 0.00 C ATOM 249 CD1 ILE A 22 9.633 9.104 19.494 1.00 0.00 C ATOM 0 H ILE A 22 13.247 7.903 19.187 1.00 0.00 H new ATOM 0 HA ILE A 22 13.364 10.037 21.038 1.00 0.00 H new ATOM 0 HB ILE A 22 11.478 7.657 20.739 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.085 10.607 20.050 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.681 9.439 18.887 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.934 8.953 22.193 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.430 8.539 23.063 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.194 10.186 22.433 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.222 9.704 18.682 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.629 8.053 19.207 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.024 9.238 20.388 1.00 0.00 H new ATOM 261 N VAL A 23 13.861 6.999 22.279 1.00 0.00 N ATOM 262 CA VAL A 23 14.376 6.300 23.458 1.00 0.00 C ATOM 263 C VAL A 23 15.814 6.694 23.712 1.00 0.00 C ATOM 264 O VAL A 23 16.245 6.811 24.852 1.00 0.00 O ATOM 265 CB VAL A 23 14.303 4.783 23.287 1.00 0.00 C ATOM 266 CG1 VAL A 23 12.842 4.356 23.142 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.090 4.374 22.043 1.00 0.00 C ATOM 0 H VAL A 23 13.621 6.395 21.493 1.00 0.00 H new ATOM 0 HA VAL A 23 13.753 6.588 24.305 1.00 0.00 H new ATOM 0 HB VAL A 23 14.734 4.294 24.161 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.790 3.274 23.020 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.287 4.648 24.034 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.406 4.841 22.269 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.039 3.292 21.920 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.662 4.860 21.166 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.131 4.678 22.155 1.00 0.00 H new ATOM 277 N ILE A 24 16.556 6.919 22.644 1.00 0.00 N ATOM 278 CA ILE A 24 17.952 7.317 22.788 1.00 0.00 C ATOM 279 C ILE A 24 18.066 8.405 23.870 1.00 0.00 C ATOM 280 O ILE A 24 19.118 8.596 24.471 1.00 0.00 O ATOM 281 CB ILE A 24 18.488 7.810 21.416 1.00 0.00 C ATOM 282 CG1 ILE A 24 19.882 7.217 21.145 1.00 0.00 C ATOM 283 CG2 ILE A 24 18.583 9.344 21.360 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.789 5.684 20.981 1.00 0.00 C ATOM 0 H ILE A 24 16.228 6.836 21.682 1.00 0.00 H new ATOM 0 HA ILE A 24 18.559 6.468 23.103 1.00 0.00 H new ATOM 0 HB ILE A 24 17.782 7.476 20.656 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.305 7.661 20.244 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.555 7.462 21.967 1.00 0.00 H new ATOM 0 HG21 ILE A 24 18.962 9.650 20.385 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.595 9.776 21.517 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.260 9.695 22.139 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.782 5.278 20.790 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.386 5.244 21.894 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.133 5.447 20.144 1.00 0.00 H new ATOM 296 N THR A 25 16.948 9.096 24.105 1.00 0.00 N ATOM 297 CA THR A 25 16.899 10.160 25.120 1.00 0.00 C ATOM 298 C THR A 25 16.938 9.562 26.535 1.00 0.00 C ATOM 299 O THR A 25 17.626 10.081 27.416 1.00 0.00 O ATOM 300 CB THR A 25 15.651 11.041 24.929 1.00 0.00 C ATOM 301 OG1 THR A 25 15.915 12.340 25.450 1.00 0.00 O ATOM 302 CG2 THR A 25 14.426 10.446 25.640 1.00 0.00 C ATOM 0 H THR A 25 16.068 8.942 23.612 1.00 0.00 H new ATOM 0 HA THR A 25 17.778 10.792 24.995 1.00 0.00 H new ATOM 0 HB THR A 25 15.429 11.094 23.863 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.125 12.907 25.330 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.564 11.094 25.484 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.214 9.457 25.234 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.629 10.364 26.708 1.00 0.00 H new ATOM 310 N LEU A 26 16.208 8.459 26.734 1.00 0.00 N ATOM 311 CA LEU A 26 16.155 7.760 28.025 1.00 0.00 C ATOM 312 C LEU A 26 17.566 7.438 28.524 1.00 0.00 C ATOM 313 O LEU A 26 17.829 7.445 29.723 1.00 0.00 O ATOM 314 CB LEU A 26 15.296 6.498 27.797 1.00 0.00 C ATOM 315 CG LEU A 26 15.375 5.463 28.930 1.00 0.00 C ATOM 316 CD1 LEU A 26 16.719 4.712 28.905 1.00 0.00 C ATOM 317 CD2 LEU A 26 15.121 6.121 30.298 1.00 0.00 C ATOM 0 H LEU A 26 15.638 8.026 26.007 1.00 0.00 H new ATOM 0 HA LEU A 26 15.708 8.375 28.806 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.256 6.799 27.668 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.608 6.024 26.866 1.00 0.00 H new ATOM 0 HG LEU A 26 14.587 4.727 28.768 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.746 3.987 29.718 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.828 4.194 27.952 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.536 5.424 29.027 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.183 5.366 31.082 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.871 6.891 30.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.129 6.572 30.306 1.00 0.00 H new ATOM 329 N VAL A 27 18.486 7.224 27.598 1.00 0.00 N ATOM 330 CA VAL A 27 19.882 6.971 27.965 1.00 0.00 C ATOM 331 C VAL A 27 20.469 8.218 28.632 1.00 0.00 C ATOM 332 O VAL A 27 21.121 8.139 29.675 1.00 0.00 O ATOM 333 CB VAL A 27 20.695 6.640 26.706 1.00 0.00 C ATOM 334 CG1 VAL A 27 22.067 6.082 27.096 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.939 5.608 25.864 1.00 0.00 C ATOM 0 H VAL A 27 18.301 7.219 26.595 1.00 0.00 H new ATOM 0 HA VAL A 27 19.925 6.130 28.657 1.00 0.00 H new ATOM 0 HB VAL A 27 20.836 7.551 26.124 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.635 5.851 26.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.607 6.823 27.685 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.937 5.175 27.686 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.517 5.374 24.970 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.790 4.700 26.448 1.00 0.00 H new ATOM 0 HG23 VAL A 27 18.970 6.015 25.573 1.00 0.00 H new ATOM 345 N MET A 28 20.209 9.370 28.011 1.00 0.00 N ATOM 346 CA MET A 28 20.688 10.650 28.529 1.00 0.00 C ATOM 347 C MET A 28 19.929 11.045 29.789 1.00 0.00 C ATOM 348 O MET A 28 20.494 11.653 30.695 1.00 0.00 O ATOM 349 CB MET A 28 20.550 11.753 27.474 1.00 0.00 C ATOM 350 CG MET A 28 21.541 11.501 26.338 1.00 0.00 C ATOM 351 SD MET A 28 21.404 12.821 25.106 1.00 0.00 S ATOM 352 CE MET A 28 22.437 12.044 23.840 1.00 0.00 C ATOM 0 H MET A 28 19.669 9.441 27.149 1.00 0.00 H new ATOM 0 HA MET A 28 21.743 10.531 28.777 1.00 0.00 H new ATOM 0 HB2 MET A 28 19.532 11.773 27.085 1.00 0.00 H new ATOM 0 HB3 MET A 28 20.738 12.727 27.925 1.00 0.00 H new ATOM 0 HG2 MET A 28 22.557 11.461 26.731 1.00 0.00 H new ATOM 0 HG3 MET A 28 21.340 10.535 25.874 1.00 0.00 H new ATOM 0 HE1 MET A 28 22.496 12.695 22.968 1.00 0.00 H new ATOM 0 HE2 MET A 28 23.438 11.879 24.238 1.00 0.00 H new ATOM 0 HE3 MET A 28 22.000 11.088 23.550 1.00 0.00 H new ATOM 362 N LEU A 29 18.644 10.703 29.841 1.00 0.00 N ATOM 363 CA LEU A 29 17.821 11.037 31.001 1.00 0.00 C ATOM 364 C LEU A 29 17.994 9.997 32.096 1.00 0.00 C ATOM 365 O LEU A 29 17.426 10.123 33.181 1.00 0.00 O ATOM 366 CB LEU A 29 16.344 11.099 30.605 1.00 0.00 C ATOM 367 CG LEU A 29 16.137 12.152 29.509 1.00 0.00 C ATOM 368 CD1 LEU A 29 14.666 12.146 29.073 1.00 0.00 C ATOM 369 CD2 LEU A 29 16.518 13.546 30.044 1.00 0.00 C ATOM 0 H LEU A 29 18.154 10.200 29.102 1.00 0.00 H new ATOM 0 HA LEU A 29 18.142 12.010 31.372 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.013 10.123 30.250 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.736 11.344 31.476 1.00 0.00 H new ATOM 0 HG LEU A 29 16.771 11.916 28.654 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.514 12.893 28.294 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.405 11.161 28.687 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.032 12.380 29.928 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.369 14.289 29.261 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.891 13.791 30.901 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.564 13.545 30.349 1.00 0.00 H new ATOM 381 N LYS A 30 18.780 8.969 31.807 1.00 0.00 N ATOM 382 CA LYS A 30 19.018 7.913 32.780 1.00 0.00 C ATOM 383 C LYS A 30 19.719 8.489 34.005 1.00 0.00 C ATOM 384 O LYS A 30 19.446 8.091 35.136 1.00 0.00 O ATOM 385 CB LYS A 30 19.883 6.814 32.161 1.00 0.00 C ATOM 386 CG LYS A 30 19.950 5.621 33.114 1.00 0.00 C ATOM 387 CD LYS A 30 20.730 4.482 32.453 1.00 0.00 C ATOM 388 CE LYS A 30 20.773 3.275 33.392 1.00 0.00 C ATOM 389 NZ LYS A 30 21.486 3.643 34.647 1.00 0.00 N ATOM 0 H LYS A 30 19.259 8.844 30.915 1.00 0.00 H new ATOM 0 HA LYS A 30 18.061 7.486 33.079 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.466 6.505 31.203 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.886 7.193 31.965 1.00 0.00 H new ATOM 0 HG2 LYS A 30 20.433 5.914 34.046 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.944 5.288 33.367 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.259 4.205 31.510 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.743 4.810 32.219 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.760 2.944 33.621 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.279 2.441 32.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.798 2.779 35.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.314 4.229 34.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.844 4.178 35.267 1.00 0.00 H new ATOM 403 N LYS A 31 20.626 9.436 33.764 1.00 0.00 N ATOM 404 CA LYS A 31 21.369 10.076 34.850 1.00 0.00 C ATOM 405 C LYS A 31 20.663 11.357 35.286 1.00 0.00 C ATOM 406 O LYS A 31 21.281 12.259 35.850 1.00 0.00 O ATOM 407 CB LYS A 31 22.789 10.411 34.384 1.00 0.00 C ATOM 408 CG LYS A 31 23.491 9.154 33.847 1.00 0.00 C ATOM 409 CD LYS A 31 23.682 8.121 34.964 1.00 0.00 C ATOM 410 CE LYS A 31 24.688 7.060 34.506 1.00 0.00 C ATOM 411 NZ LYS A 31 24.939 6.098 35.618 1.00 0.00 N ATOM 0 H LYS A 31 20.863 9.776 32.832 1.00 0.00 H new ATOM 0 HA LYS A 31 21.417 9.388 35.694 1.00 0.00 H new ATOM 0 HB2 LYS A 31 22.752 11.174 33.607 1.00 0.00 H new ATOM 0 HB3 LYS A 31 23.361 10.828 35.213 1.00 0.00 H new ATOM 0 HG2 LYS A 31 22.902 8.719 33.040 1.00 0.00 H new ATOM 0 HG3 LYS A 31 24.459 9.424 33.425 1.00 0.00 H new ATOM 0 HD2 LYS A 31 24.039 8.610 35.870 1.00 0.00 H new ATOM 0 HD3 LYS A 31 22.729 7.653 35.209 1.00 0.00 H new ATOM 0 HE2 LYS A 31 24.303 6.531 33.634 1.00 0.00 H new ATOM 0 HE3 LYS A 31 25.622 7.535 34.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 25.622 5.378 35.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 25.324 6.608 36.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 24.046 5.636 35.885 1.00 0.00 H new ATOM 425 N LYS A 32 19.358 11.423 35.025 1.00 0.00 N ATOM 426 CA LYS A 32 18.566 12.592 35.396 1.00 0.00 C ATOM 427 C LYS A 32 17.090 12.221 35.507 1.00 0.00 C ATOM 428 O LYS A 32 16.800 11.037 35.577 1.00 0.00 O ATOM 429 CB LYS A 32 18.743 13.697 34.352 1.00 0.00 C ATOM 430 CG LYS A 32 17.980 14.948 34.791 1.00 0.00 C ATOM 431 CD LYS A 32 18.214 16.071 33.777 1.00 0.00 C ATOM 432 CE LYS A 32 17.463 17.327 34.220 1.00 0.00 C ATOM 433 NZ LYS A 32 17.717 18.425 33.245 1.00 0.00 N ATOM 0 H LYS A 32 18.830 10.684 34.560 1.00 0.00 H new ATOM 0 HA LYS A 32 18.913 12.953 36.364 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.801 13.929 34.230 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.377 13.357 33.383 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.915 14.729 34.868 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.313 15.262 35.780 1.00 0.00 H new ATOM 0 HD2 LYS A 32 19.280 16.283 33.693 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.872 15.760 32.790 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.394 17.122 34.283 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.789 17.627 35.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.207 19.280 33.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.737 18.626 33.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 17.385 18.136 32.303 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -4.191 -1.714 3.797 1.00 0.00 N ATOM 449 CA LYS B 5 -4.641 -2.864 4.628 1.00 0.00 C ATOM 450 C LYS B 5 -4.095 -2.716 6.042 1.00 0.00 C ATOM 451 O LYS B 5 -3.001 -2.188 6.244 1.00 0.00 O ATOM 452 CB LYS B 5 -4.143 -4.169 4.004 1.00 0.00 C ATOM 453 CG LYS B 5 -4.875 -4.411 2.684 1.00 0.00 C ATOM 454 CD LYS B 5 -4.360 -5.699 2.038 1.00 0.00 C ATOM 455 CE LYS B 5 -5.055 -5.908 0.691 1.00 0.00 C ATOM 456 NZ LYS B 5 -6.525 -6.036 0.906 1.00 0.00 N ATOM 0 HA LYS B 5 -5.730 -2.882 4.670 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -3.068 -4.116 3.832 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -4.316 -5.001 4.687 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -5.948 -4.485 2.860 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -4.720 -3.568 2.011 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -3.281 -5.641 1.897 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -4.551 -6.549 2.693 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.845 -5.069 0.027 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -4.668 -6.804 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -6.959 -6.488 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -6.703 -6.617 1.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.939 -5.092 1.042 1.00 0.00 H new ATOM 469 N GLY B 6 -4.865 -3.185 7.018 1.00 0.00 N ATOM 470 CA GLY B 6 -4.447 -3.097 8.409 1.00 0.00 C ATOM 471 C GLY B 6 -3.160 -3.875 8.627 1.00 0.00 C ATOM 472 O GLY B 6 -2.388 -3.581 9.538 1.00 0.00 O ATOM 0 H GLY B 6 -5.773 -3.626 6.872 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.299 -2.053 8.685 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.231 -3.490 9.056 1.00 0.00 H new ATOM 476 N ALA B 7 -2.931 -4.863 7.779 1.00 0.00 N ATOM 477 CA ALA B 7 -1.727 -5.668 7.882 1.00 0.00 C ATOM 478 C ALA B 7 -0.497 -4.810 7.602 1.00 0.00 C ATOM 479 O ALA B 7 0.556 -5.002 8.212 1.00 0.00 O ATOM 480 CB ALA B 7 -1.786 -6.830 6.886 1.00 0.00 C ATOM 0 H ALA B 7 -3.557 -5.125 7.018 1.00 0.00 H new ATOM 0 HA ALA B 7 -1.658 -6.068 8.893 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -0.879 -7.428 6.971 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -2.653 -7.453 7.105 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.868 -6.437 5.873 1.00 0.00 H new ATOM 486 N ILE B 8 -0.631 -3.866 6.670 1.00 0.00 N ATOM 487 CA ILE B 8 0.490 -2.993 6.317 1.00 0.00 C ATOM 488 C ILE B 8 0.908 -2.114 7.497 1.00 0.00 C ATOM 489 O ILE B 8 2.077 -2.097 7.885 1.00 0.00 O ATOM 490 CB ILE B 8 0.103 -2.103 5.134 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.134 -2.973 3.895 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.231 -1.110 4.846 1.00 0.00 C ATOM 493 CD1 ILE B 8 -0.797 -2.131 2.803 1.00 0.00 C ATOM 0 H ILE B 8 -1.491 -3.687 6.152 1.00 0.00 H new ATOM 0 HA ILE B 8 1.334 -3.627 6.046 1.00 0.00 H new ATOM 0 HB ILE B 8 -0.808 -1.557 5.378 1.00 0.00 H new ATOM 0 HG12 ILE B 8 0.812 -3.377 3.534 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -0.767 -3.823 4.149 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.953 -0.478 4.003 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.402 -0.489 5.725 1.00 0.00 H new ATOM 0 HG23 ILE B 8 2.143 -1.656 4.604 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.967 -2.748 1.921 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.751 -1.749 3.167 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.147 -1.296 2.542 1.00 0.00 H new ATOM 505 N ILE B 9 -0.051 -1.384 8.060 1.00 0.00 N ATOM 506 CA ILE B 9 0.237 -0.507 9.189 1.00 0.00 C ATOM 507 C ILE B 9 0.542 -1.339 10.429 1.00 0.00 C ATOM 508 O ILE B 9 1.420 -1.002 11.220 1.00 0.00 O ATOM 509 CB ILE B 9 -0.951 0.432 9.443 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.547 1.548 10.422 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.113 -0.365 10.034 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.258 2.637 9.697 1.00 0.00 C ATOM 0 H ILE B 9 -1.025 -1.382 7.756 1.00 0.00 H new ATOM 0 HA ILE B 9 1.112 0.101 8.957 1.00 0.00 H new ATOM 0 HB ILE B 9 -1.255 0.881 8.498 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -1.439 1.985 10.871 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.047 1.129 11.235 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.957 0.301 10.215 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.411 -1.147 9.335 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.802 -0.819 10.975 1.00 0.00 H new ATOM 0 HD11 ILE B 9 0.535 3.418 10.406 1.00 0.00 H new ATOM 0 HD12 ILE B 9 1.160 2.199 9.269 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -0.349 3.068 8.901 1.00 0.00 H new ATOM 524 N GLY B 10 -0.192 -2.431 10.587 1.00 0.00 N ATOM 525 CA GLY B 10 0.006 -3.308 11.735 1.00 0.00 C ATOM 526 C GLY B 10 1.493 -3.545 11.979 1.00 0.00 C ATOM 527 O GLY B 10 1.970 -3.437 13.108 1.00 0.00 O ATOM 0 H GLY B 10 -0.924 -2.730 9.942 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.447 -2.864 12.621 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.496 -4.260 11.563 1.00 0.00 H new ATOM 531 N LEU B 11 2.225 -3.846 10.908 1.00 0.00 N ATOM 532 CA LEU B 11 3.657 -4.069 11.013 1.00 0.00 C ATOM 533 C LEU B 11 4.398 -2.750 11.251 1.00 0.00 C ATOM 534 O LEU B 11 5.358 -2.708 12.010 1.00 0.00 O ATOM 535 CB LEU B 11 4.175 -4.762 9.745 1.00 0.00 C ATOM 536 CG LEU B 11 5.696 -4.943 9.818 1.00 0.00 C ATOM 537 CD1 LEU B 11 6.086 -5.705 11.095 1.00 0.00 C ATOM 538 CD2 LEU B 11 6.164 -5.738 8.593 1.00 0.00 C ATOM 0 H LEU B 11 1.849 -3.940 9.965 1.00 0.00 H new ATOM 0 HA LEU B 11 3.846 -4.718 11.868 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.692 -5.732 9.630 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.914 -4.170 8.867 1.00 0.00 H new ATOM 0 HG LEU B 11 6.170 -3.962 9.835 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.169 -5.825 11.131 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.754 -5.145 11.969 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.612 -6.687 11.092 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.245 -5.871 8.637 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.678 -6.714 8.585 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.902 -5.195 7.685 1.00 0.00 H new ATOM 550 N MET B 12 3.950 -1.676 10.597 1.00 0.00 N ATOM 551 CA MET B 12 4.575 -0.373 10.743 1.00 0.00 C ATOM 552 C MET B 12 4.737 -0.005 12.213 1.00 0.00 C ATOM 553 O MET B 12 5.844 0.262 12.681 1.00 0.00 O ATOM 554 CB MET B 12 3.670 0.648 10.054 1.00 0.00 C ATOM 555 CG MET B 12 4.376 1.984 9.898 1.00 0.00 C ATOM 556 SD MET B 12 4.355 2.879 11.476 1.00 0.00 S ATOM 557 CE MET B 12 6.131 3.219 11.600 1.00 0.00 C ATOM 0 H MET B 12 3.153 -1.690 9.960 1.00 0.00 H new ATOM 0 HA MET B 12 5.569 -0.386 10.295 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.373 0.273 9.075 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.757 0.781 10.635 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.404 1.826 9.573 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.885 2.577 9.127 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.350 3.660 12.572 1.00 0.00 H new ATOM 0 HE2 MET B 12 6.688 2.289 11.490 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.424 3.913 10.812 1.00 0.00 H new ATOM 567 N VAL B 13 3.624 0.009 12.933 1.00 0.00 N ATOM 568 CA VAL B 13 3.642 0.355 14.347 1.00 0.00 C ATOM 569 C VAL B 13 4.415 -0.680 15.159 1.00 0.00 C ATOM 570 O VAL B 13 4.872 -0.387 16.262 1.00 0.00 O ATOM 571 CB VAL B 13 2.219 0.501 14.884 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.535 1.670 14.171 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.429 -0.784 14.628 1.00 0.00 C ATOM 0 H VAL B 13 2.700 -0.214 12.563 1.00 0.00 H new ATOM 0 HA VAL B 13 4.152 1.313 14.449 1.00 0.00 H new ATOM 0 HB VAL B 13 2.254 0.688 15.957 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.518 1.782 14.548 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.094 2.587 14.357 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.505 1.475 13.099 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.416 -0.671 15.014 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.389 -0.979 13.556 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.918 -1.618 15.131 1.00 0.00 H new ATOM 583 N GLY B 14 4.576 -1.889 14.619 1.00 0.00 N ATOM 584 CA GLY B 14 5.322 -2.930 15.322 1.00 0.00 C ATOM 585 C GLY B 14 6.830 -2.744 15.132 1.00 0.00 C ATOM 586 O GLY B 14 7.607 -2.932 16.069 1.00 0.00 O ATOM 0 H GLY B 14 4.205 -2.168 13.711 1.00 0.00 H new ATOM 0 HA2 GLY B 14 5.079 -2.903 16.384 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.023 -3.911 14.952 1.00 0.00 H new ATOM 590 N GLY B 15 7.238 -2.388 13.911 1.00 0.00 N ATOM 591 CA GLY B 15 8.650 -2.196 13.625 1.00 0.00 C ATOM 592 C GLY B 15 9.255 -1.235 14.634 1.00 0.00 C ATOM 593 O GLY B 15 10.246 -1.548 15.278 1.00 0.00 O ATOM 0 H GLY B 15 6.615 -2.230 13.119 1.00 0.00 H new ATOM 0 HA2 GLY B 15 9.171 -3.153 13.663 1.00 0.00 H new ATOM 0 HA3 GLY B 15 8.776 -1.804 12.616 1.00 0.00 H new ATOM 597 N VAL B 16 8.659 -0.056 14.748 1.00 0.00 N ATOM 598 CA VAL B 16 9.169 0.951 15.669 1.00 0.00 C ATOM 599 C VAL B 16 9.514 0.318 17.016 1.00 0.00 C ATOM 600 O VAL B 16 10.618 0.505 17.526 1.00 0.00 O ATOM 601 CB VAL B 16 8.147 2.084 15.852 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.174 3.000 14.627 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.739 1.506 16.014 1.00 0.00 C ATOM 0 H VAL B 16 7.832 0.225 14.221 1.00 0.00 H new ATOM 0 HA VAL B 16 10.079 1.375 15.244 1.00 0.00 H new ATOM 0 HB VAL B 16 8.407 2.651 16.746 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.449 3.803 14.757 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.171 3.426 14.513 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.921 2.424 13.737 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.025 2.319 16.143 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.478 0.930 15.126 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.711 0.856 16.889 1.00 0.00 H new ATOM 613 N VAL B 17 8.579 -0.426 17.582 1.00 0.00 N ATOM 614 CA VAL B 17 8.809 -1.070 18.869 1.00 0.00 C ATOM 615 C VAL B 17 10.054 -1.960 18.819 1.00 0.00 C ATOM 616 O VAL B 17 10.850 -1.980 19.754 1.00 0.00 O ATOM 617 CB VAL B 17 7.601 -1.930 19.233 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.911 -2.728 20.502 1.00 0.00 C ATOM 619 CG2 VAL B 17 6.380 -1.034 19.470 1.00 0.00 C ATOM 0 H VAL B 17 7.659 -0.600 17.176 1.00 0.00 H new ATOM 0 HA VAL B 17 8.959 -0.293 19.618 1.00 0.00 H new ATOM 0 HB VAL B 17 7.385 -2.617 18.415 1.00 0.00 H new ATOM 0 HG11 VAL B 17 7.050 -3.343 20.764 1.00 0.00 H new ATOM 0 HG12 VAL B 17 8.775 -3.369 20.327 1.00 0.00 H new ATOM 0 HG13 VAL B 17 8.129 -2.041 21.320 1.00 0.00 H new ATOM 0 HG21 VAL B 17 5.520 -1.652 19.729 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.589 -0.342 20.286 1.00 0.00 H new ATOM 0 HG23 VAL B 17 6.161 -0.470 18.563 1.00 0.00 H new ATOM 629 N ILE B 18 10.205 -2.695 17.729 1.00 0.00 N ATOM 630 CA ILE B 18 11.361 -3.573 17.585 1.00 0.00 C ATOM 631 C ILE B 18 12.639 -2.747 17.422 1.00 0.00 C ATOM 632 O ILE B 18 13.646 -2.996 18.085 1.00 0.00 O ATOM 633 CB ILE B 18 11.173 -4.490 16.377 1.00 0.00 C ATOM 634 CG1 ILE B 18 10.010 -5.447 16.654 1.00 0.00 C ATOM 635 CG2 ILE B 18 12.452 -5.297 16.137 1.00 0.00 C ATOM 636 CD1 ILE B 18 9.632 -6.185 15.370 1.00 0.00 C ATOM 0 H ILE B 18 9.556 -2.704 16.942 1.00 0.00 H new ATOM 0 HA ILE B 18 11.452 -4.183 18.484 1.00 0.00 H new ATOM 0 HB ILE B 18 10.957 -3.891 15.492 1.00 0.00 H new ATOM 0 HG12 ILE B 18 10.292 -6.163 17.427 1.00 0.00 H new ATOM 0 HG13 ILE B 18 9.152 -4.892 17.032 1.00 0.00 H new ATOM 0 HG21 ILE B 18 12.314 -5.950 15.275 1.00 0.00 H new ATOM 0 HG22 ILE B 18 13.282 -4.616 15.948 1.00 0.00 H new ATOM 0 HG23 ILE B 18 12.672 -5.901 17.018 1.00 0.00 H new ATOM 0 HD11 ILE B 18 8.804 -6.865 15.571 1.00 0.00 H new ATOM 0 HD12 ILE B 18 9.332 -5.463 14.610 1.00 0.00 H new ATOM 0 HD13 ILE B 18 10.490 -6.754 15.011 1.00 0.00 H new ATOM 648 N ALA B 19 12.588 -1.791 16.507 1.00 0.00 N ATOM 649 CA ALA B 19 13.744 -0.952 16.212 1.00 0.00 C ATOM 650 C ALA B 19 14.239 -0.214 17.451 1.00 0.00 C ATOM 651 O ALA B 19 15.445 -0.065 17.641 1.00 0.00 O ATOM 652 CB ALA B 19 13.389 0.059 15.120 1.00 0.00 C ATOM 0 H ALA B 19 11.758 -1.575 15.954 1.00 0.00 H new ATOM 0 HA ALA B 19 14.546 -1.605 15.867 1.00 0.00 H new ATOM 0 HB1 ALA B 19 14.257 0.682 14.905 1.00 0.00 H new ATOM 0 HB2 ALA B 19 13.090 -0.472 14.216 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.566 0.688 15.460 1.00 0.00 H new ATOM 658 N THR B 20 13.318 0.263 18.285 1.00 0.00 N ATOM 659 CA THR B 20 13.709 0.996 19.486 1.00 0.00 C ATOM 660 C THR B 20 14.119 0.028 20.581 1.00 0.00 C ATOM 661 O THR B 20 14.792 0.405 21.538 1.00 0.00 O ATOM 662 CB THR B 20 12.562 1.887 19.950 1.00 0.00 C ATOM 663 OG1 THR B 20 13.013 2.754 20.969 1.00 0.00 O ATOM 664 CG2 THR B 20 11.412 1.037 20.477 1.00 0.00 C ATOM 0 H THR B 20 12.312 0.158 18.155 1.00 0.00 H new ATOM 0 HA THR B 20 14.565 1.630 19.254 1.00 0.00 H new ATOM 0 HB THR B 20 12.210 2.474 19.102 1.00 0.00 H new ATOM 0 HG1 THR B 20 12.850 3.683 20.704 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.600 1.686 20.805 1.00 0.00 H new ATOM 0 HG22 THR B 20 11.053 0.379 19.685 1.00 0.00 H new ATOM 0 HG23 THR B 20 11.759 0.437 21.318 1.00 0.00 H new ATOM 672 N MET B 21 13.731 -1.235 20.429 1.00 0.00 N ATOM 673 CA MET B 21 14.103 -2.243 21.402 1.00 0.00 C ATOM 674 C MET B 21 15.545 -2.678 21.146 1.00 0.00 C ATOM 675 O MET B 21 16.263 -3.031 22.076 1.00 0.00 O ATOM 676 CB MET B 21 13.136 -3.446 21.327 1.00 0.00 C ATOM 677 CG MET B 21 12.167 -3.436 22.527 1.00 0.00 C ATOM 678 SD MET B 21 11.449 -1.778 22.730 1.00 0.00 S ATOM 679 CE MET B 21 12.074 -1.408 24.399 1.00 0.00 C ATOM 0 H MET B 21 13.167 -1.576 19.651 1.00 0.00 H new ATOM 0 HA MET B 21 14.033 -1.826 22.407 1.00 0.00 H new ATOM 0 HB2 MET B 21 12.571 -3.408 20.396 1.00 0.00 H new ATOM 0 HB3 MET B 21 13.704 -4.376 21.318 1.00 0.00 H new ATOM 0 HG2 MET B 21 11.375 -4.168 22.372 1.00 0.00 H new ATOM 0 HG3 MET B 21 12.696 -3.726 23.435 1.00 0.00 H new ATOM 0 HE1 MET B 21 12.018 -0.334 24.579 1.00 0.00 H new ATOM 0 HE2 MET B 21 11.468 -1.932 25.139 1.00 0.00 H new ATOM 0 HE3 MET B 21 13.110 -1.736 24.480 1.00 0.00 H new ATOM 689 N ILE B 22 15.972 -2.659 19.882 1.00 0.00 N ATOM 690 CA ILE B 22 17.339 -3.063 19.564 1.00 0.00 C ATOM 691 C ILE B 22 18.343 -2.116 20.216 1.00 0.00 C ATOM 692 O ILE B 22 19.315 -2.561 20.822 1.00 0.00 O ATOM 693 CB ILE B 22 17.558 -3.071 18.041 1.00 0.00 C ATOM 694 CG1 ILE B 22 16.715 -4.189 17.413 1.00 0.00 C ATOM 695 CG2 ILE B 22 19.041 -3.323 17.740 1.00 0.00 C ATOM 696 CD1 ILE B 22 16.690 -4.036 15.888 1.00 0.00 C ATOM 0 H ILE B 22 15.407 -2.376 19.082 1.00 0.00 H new ATOM 0 HA ILE B 22 17.492 -4.069 19.953 1.00 0.00 H new ATOM 0 HB ILE B 22 17.260 -2.109 17.624 1.00 0.00 H new ATOM 0 HG12 ILE B 22 17.128 -5.161 17.682 1.00 0.00 H new ATOM 0 HG13 ILE B 22 15.699 -4.154 17.807 1.00 0.00 H new ATOM 0 HG21 ILE B 22 19.197 -3.329 16.661 1.00 0.00 H new ATOM 0 HG22 ILE B 22 19.643 -2.533 18.190 1.00 0.00 H new ATOM 0 HG23 ILE B 22 19.338 -4.286 18.155 1.00 0.00 H new ATOM 0 HD11 ILE B 22 16.089 -4.834 15.452 1.00 0.00 H new ATOM 0 HD12 ILE B 22 16.256 -3.071 15.626 1.00 0.00 H new ATOM 0 HD13 ILE B 22 17.707 -4.094 15.500 1.00 0.00 H new ATOM 708 N VAL B 23 18.110 -0.811 20.087 1.00 0.00 N ATOM 709 CA VAL B 23 19.024 0.170 20.675 1.00 0.00 C ATOM 710 C VAL B 23 19.011 0.057 22.184 1.00 0.00 C ATOM 711 O VAL B 23 20.031 0.229 22.838 1.00 0.00 O ATOM 712 CB VAL B 23 18.641 1.597 20.283 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.761 1.758 18.768 1.00 0.00 C ATOM 714 CG2 VAL B 23 17.205 1.877 20.725 1.00 0.00 C ATOM 0 H VAL B 23 17.313 -0.413 19.591 1.00 0.00 H new ATOM 0 HA VAL B 23 20.022 -0.043 20.292 1.00 0.00 H new ATOM 0 HB VAL B 23 19.311 2.305 20.772 1.00 0.00 H new ATOM 0 HG11 VAL B 23 18.488 2.775 18.487 1.00 0.00 H new ATOM 0 HG12 VAL B 23 19.788 1.560 18.461 1.00 0.00 H new ATOM 0 HG13 VAL B 23 18.093 1.053 18.273 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.930 2.894 20.446 1.00 0.00 H new ATOM 0 HG22 VAL B 23 16.531 1.173 20.238 1.00 0.00 H new ATOM 0 HG23 VAL B 23 17.129 1.764 21.806 1.00 0.00 H new ATOM 724 N ILE B 24 17.854 -0.253 22.738 1.00 0.00 N ATOM 725 CA ILE B 24 17.747 -0.397 24.184 1.00 0.00 C ATOM 726 C ILE B 24 18.931 -1.229 24.706 1.00 0.00 C ATOM 727 O ILE B 24 19.308 -1.137 25.871 1.00 0.00 O ATOM 728 CB ILE B 24 16.383 -1.055 24.534 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.722 -0.317 25.711 1.00 0.00 C ATOM 730 CG2 ILE B 24 16.543 -2.539 24.908 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.347 1.122 25.295 1.00 0.00 C ATOM 0 H ILE B 24 16.987 -0.408 22.223 1.00 0.00 H new ATOM 0 HA ILE B 24 17.786 0.579 24.667 1.00 0.00 H new ATOM 0 HB ILE B 24 15.756 -0.985 23.645 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.830 -0.855 26.032 1.00 0.00 H new ATOM 0 HG13 ILE B 24 16.402 -0.292 26.562 1.00 0.00 H new ATOM 0 HG21 ILE B 24 15.567 -2.962 25.146 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.978 -3.081 24.068 1.00 0.00 H new ATOM 0 HG23 ILE B 24 17.197 -2.627 25.775 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.880 1.634 26.136 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.246 1.660 24.996 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.649 1.089 24.458 1.00 0.00 H new ATOM 743 N THR B 25 19.509 -2.027 23.807 1.00 0.00 N ATOM 744 CA THR B 25 20.664 -2.872 24.156 1.00 0.00 C ATOM 745 C THR B 25 21.924 -2.017 24.351 1.00 0.00 C ATOM 746 O THR B 25 22.700 -2.245 25.281 1.00 0.00 O ATOM 747 CB THR B 25 20.891 -3.954 23.084 1.00 0.00 C ATOM 748 OG1 THR B 25 21.536 -5.074 23.684 1.00 0.00 O ATOM 749 CG2 THR B 25 21.754 -3.426 21.928 1.00 0.00 C ATOM 0 H THR B 25 19.203 -2.110 22.837 1.00 0.00 H new ATOM 0 HA THR B 25 20.448 -3.373 25.100 1.00 0.00 H new ATOM 0 HB THR B 25 19.923 -4.245 22.677 1.00 0.00 H new ATOM 0 HG1 THR B 25 21.682 -5.768 23.008 1.00 0.00 H new ATOM 0 HG21 THR B 25 21.895 -4.215 21.189 1.00 0.00 H new ATOM 0 HG22 THR B 25 21.256 -2.576 21.461 1.00 0.00 H new ATOM 0 HG23 THR B 25 22.724 -3.112 22.312 1.00 0.00 H new ATOM 757 N LEU B 26 22.108 -1.022 23.476 1.00 0.00 N ATOM 758 CA LEU B 26 23.254 -0.105 23.538 1.00 0.00 C ATOM 759 C LEU B 26 23.373 0.518 24.933 1.00 0.00 C ATOM 760 O LEU B 26 24.470 0.781 25.414 1.00 0.00 O ATOM 761 CB LEU B 26 23.029 0.944 22.428 1.00 0.00 C ATOM 762 CG LEU B 26 23.942 2.175 22.526 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.506 3.103 23.676 1.00 0.00 C ATOM 764 CD2 LEU B 26 25.417 1.760 22.665 1.00 0.00 C ATOM 0 H LEU B 26 21.468 -0.829 22.705 1.00 0.00 H new ATOM 0 HA LEU B 26 24.200 -0.620 23.372 1.00 0.00 H new ATOM 0 HB2 LEU B 26 23.182 0.469 21.459 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.990 1.273 22.461 1.00 0.00 H new ATOM 0 HG LEU B 26 23.844 2.738 21.598 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.171 3.965 23.720 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.484 3.441 23.503 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.553 2.560 24.620 1.00 0.00 H new ATOM 0 HD21 LEU B 26 26.041 2.651 22.732 1.00 0.00 H new ATOM 0 HD22 LEU B 26 25.543 1.160 23.566 1.00 0.00 H new ATOM 0 HD23 LEU B 26 25.714 1.174 21.795 1.00 0.00 H new ATOM 776 N VAL B 27 22.245 0.690 25.602 1.00 0.00 N ATOM 777 CA VAL B 27 22.250 1.220 26.968 1.00 0.00 C ATOM 778 C VAL B 27 22.956 0.227 27.897 1.00 0.00 C ATOM 779 O VAL B 27 23.802 0.601 28.709 1.00 0.00 O ATOM 780 CB VAL B 27 20.807 1.424 27.447 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.792 2.255 28.736 1.00 0.00 C ATOM 782 CG2 VAL B 27 20.006 2.146 26.361 1.00 0.00 C ATOM 0 H VAL B 27 21.319 0.475 25.232 1.00 0.00 H new ATOM 0 HA VAL B 27 22.776 2.175 26.983 1.00 0.00 H new ATOM 0 HB VAL B 27 20.357 0.452 27.647 1.00 0.00 H new ATOM 0 HG11 VAL B 27 19.763 2.394 29.067 1.00 0.00 H new ATOM 0 HG12 VAL B 27 21.356 1.735 29.511 1.00 0.00 H new ATOM 0 HG13 VAL B 27 21.247 3.227 28.547 1.00 0.00 H new ATOM 0 HG21 VAL B 27 18.981 2.291 26.701 1.00 0.00 H new ATOM 0 HG22 VAL B 27 20.461 3.115 26.157 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.005 1.547 25.451 1.00 0.00 H new ATOM 792 N MET B 28 22.594 -1.047 27.746 1.00 0.00 N ATOM 793 CA MET B 28 23.184 -2.116 28.549 1.00 0.00 C ATOM 794 C MET B 28 24.625 -2.375 28.131 1.00 0.00 C ATOM 795 O MET B 28 25.469 -2.704 28.964 1.00 0.00 O ATOM 796 CB MET B 28 22.367 -3.407 28.423 1.00 0.00 C ATOM 797 CG MET B 28 21.017 -3.227 29.116 1.00 0.00 C ATOM 798 SD MET B 28 20.065 -4.762 29.000 1.00 0.00 S ATOM 799 CE MET B 28 18.497 -4.093 29.606 1.00 0.00 C ATOM 0 H MET B 28 21.895 -1.363 27.074 1.00 0.00 H new ATOM 0 HA MET B 28 23.173 -1.793 29.590 1.00 0.00 H new ATOM 0 HB2 MET B 28 22.218 -3.654 27.372 1.00 0.00 H new ATOM 0 HB3 MET B 28 22.910 -4.239 28.872 1.00 0.00 H new ATOM 0 HG2 MET B 28 21.167 -2.958 30.162 1.00 0.00 H new ATOM 0 HG3 MET B 28 20.465 -2.409 28.653 1.00 0.00 H new ATOM 0 HE1 MET B 28 17.746 -4.883 29.620 1.00 0.00 H new ATOM 0 HE2 MET B 28 18.633 -3.704 30.615 1.00 0.00 H new ATOM 0 HE3 MET B 28 18.166 -3.289 28.949 1.00 0.00 H new ATOM 809 N LEU B 29 24.905 -2.233 26.838 1.00 0.00 N ATOM 810 CA LEU B 29 26.257 -2.463 26.331 1.00 0.00 C ATOM 811 C LEU B 29 27.113 -1.218 26.508 1.00 0.00 C ATOM 812 O LEU B 29 28.301 -1.221 26.189 1.00 0.00 O ATOM 813 CB LEU B 29 26.210 -2.826 24.847 1.00 0.00 C ATOM 814 CG LEU B 29 25.360 -4.085 24.639 1.00 0.00 C ATOM 815 CD1 LEU B 29 25.263 -4.388 23.137 1.00 0.00 C ATOM 816 CD2 LEU B 29 26.005 -5.277 25.372 1.00 0.00 C ATOM 0 H LEU B 29 24.224 -1.963 26.129 1.00 0.00 H new ATOM 0 HA LEU B 29 26.695 -3.286 26.897 1.00 0.00 H new ATOM 0 HB2 LEU B 29 25.792 -1.997 24.275 1.00 0.00 H new ATOM 0 HB3 LEU B 29 27.220 -2.994 24.474 1.00 0.00 H new ATOM 0 HG LEU B 29 24.361 -3.920 25.042 1.00 0.00 H new ATOM 0 HD11 LEU B 29 24.659 -5.283 22.985 1.00 0.00 H new ATOM 0 HD12 LEU B 29 24.798 -3.545 22.625 1.00 0.00 H new ATOM 0 HD13 LEU B 29 26.262 -4.551 22.734 1.00 0.00 H new ATOM 0 HD21 LEU B 29 25.397 -6.169 25.221 1.00 0.00 H new ATOM 0 HD22 LEU B 29 27.006 -5.449 24.976 1.00 0.00 H new ATOM 0 HD23 LEU B 29 26.069 -5.057 26.438 1.00 0.00 H new ATOM 828 N LYS B 30 26.503 -0.157 27.018 1.00 0.00 N ATOM 829 CA LYS B 30 27.224 1.090 27.231 1.00 0.00 C ATOM 830 C LYS B 30 28.336 0.874 28.249 1.00 0.00 C ATOM 831 O LYS B 30 29.424 1.435 28.127 1.00 0.00 O ATOM 832 CB LYS B 30 26.266 2.170 27.737 1.00 0.00 C ATOM 833 CG LYS B 30 26.985 3.521 27.756 1.00 0.00 C ATOM 834 CD LYS B 30 26.000 4.619 28.163 1.00 0.00 C ATOM 835 CE LYS B 30 26.708 5.975 28.156 1.00 0.00 C ATOM 836 NZ LYS B 30 27.814 5.966 29.155 1.00 0.00 N ATOM 0 H LYS B 30 25.520 -0.134 27.290 1.00 0.00 H new ATOM 0 HA LYS B 30 27.658 1.414 26.285 1.00 0.00 H new ATOM 0 HB2 LYS B 30 25.388 2.222 27.094 1.00 0.00 H new ATOM 0 HB3 LYS B 30 25.914 1.919 28.738 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.821 3.490 28.455 1.00 0.00 H new ATOM 0 HG3 LYS B 30 27.401 3.737 26.772 1.00 0.00 H new ATOM 0 HD2 LYS B 30 25.155 4.636 27.475 1.00 0.00 H new ATOM 0 HD3 LYS B 30 25.599 4.412 29.155 1.00 0.00 H new ATOM 0 HE2 LYS B 30 27.104 6.185 27.162 1.00 0.00 H new ATOM 0 HE3 LYS B 30 25.998 6.768 28.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 28.092 6.944 29.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 27.492 5.495 30.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 28.630 5.453 28.765 1.00 0.00 H new ATOM 850 N LYS B 31 28.051 0.048 29.256 1.00 0.00 N ATOM 851 CA LYS B 31 29.031 -0.251 30.301 1.00 0.00 C ATOM 852 C LYS B 31 29.805 -1.519 29.946 1.00 0.00 C ATOM 853 O LYS B 31 30.353 -2.190 30.821 1.00 0.00 O ATOM 854 CB LYS B 31 28.318 -0.447 31.642 1.00 0.00 C ATOM 855 CG LYS B 31 27.451 0.776 31.976 1.00 0.00 C ATOM 856 CD LYS B 31 28.323 2.021 32.175 1.00 0.00 C ATOM 857 CE LYS B 31 27.495 3.117 32.854 1.00 0.00 C ATOM 858 NZ LYS B 31 28.362 4.298 33.134 1.00 0.00 N ATOM 0 H LYS B 31 27.154 -0.424 29.370 1.00 0.00 H new ATOM 0 HA LYS B 31 29.727 0.584 30.379 1.00 0.00 H new ATOM 0 HB2 LYS B 31 27.696 -1.341 31.602 1.00 0.00 H new ATOM 0 HB3 LYS B 31 29.053 -0.605 32.431 1.00 0.00 H new ATOM 0 HG2 LYS B 31 26.736 0.951 31.172 1.00 0.00 H new ATOM 0 HG3 LYS B 31 26.873 0.582 32.880 1.00 0.00 H new ATOM 0 HD2 LYS B 31 29.193 1.776 32.785 1.00 0.00 H new ATOM 0 HD3 LYS B 31 28.697 2.374 31.214 1.00 0.00 H new ATOM 0 HE2 LYS B 31 26.663 3.408 32.213 1.00 0.00 H new ATOM 0 HE3 LYS B 31 27.066 2.740 33.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 27.799 5.041 33.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 29.142 4.015 33.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 28.751 4.662 32.241 1.00 0.00 H new ATOM 872 N LYS B 32 29.850 -1.836 28.654 1.00 0.00 N ATOM 873 CA LYS B 32 30.563 -3.019 28.183 1.00 0.00 C ATOM 874 C LYS B 32 30.937 -2.864 26.711 1.00 0.00 C ATOM 875 O LYS B 32 30.886 -1.748 26.222 1.00 0.00 O ATOM 876 CB LYS B 32 29.689 -4.262 28.367 1.00 0.00 C ATOM 877 CG LYS B 32 30.474 -5.509 27.952 1.00 0.00 C ATOM 878 CD LYS B 32 29.617 -6.754 28.195 1.00 0.00 C ATOM 879 CE LYS B 32 30.404 -8.004 27.797 1.00 0.00 C ATOM 880 NZ LYS B 32 29.579 -9.216 28.063 1.00 0.00 N ATOM 0 H LYS B 32 29.402 -1.291 27.917 1.00 0.00 H new ATOM 0 HA LYS B 32 31.476 -3.131 28.767 1.00 0.00 H new ATOM 0 HB2 LYS B 32 29.375 -4.347 29.407 1.00 0.00 H new ATOM 0 HB3 LYS B 32 28.783 -4.174 27.767 1.00 0.00 H new ATOM 0 HG2 LYS B 32 30.751 -5.444 26.900 1.00 0.00 H new ATOM 0 HG3 LYS B 32 31.401 -5.575 28.522 1.00 0.00 H new ATOM 0 HD2 LYS B 32 29.330 -6.811 29.245 1.00 0.00 H new ATOM 0 HD3 LYS B 32 28.696 -6.692 27.616 1.00 0.00 H new ATOM 0 HE2 LYS B 32 30.671 -7.958 26.741 1.00 0.00 H new ATOM 0 HE3 LYS B 32 31.336 -8.055 28.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 30.114 -10.066 27.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 29.345 -9.261 29.075 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 28.701 -9.168 27.507 1.00 0.00 H new TER 894 LYS B 32