USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=8 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+ -165:sc= -0.0127 (180deg=-0.235) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -92:sc= -4.46! USER MOD Single : A 21 MET CE :methyl -162:sc=-0.00151 (180deg=-0.0747) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -165:sc= -0.0146 (180deg=-0.232) USER MOD Single : B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 20 THR OG1 : rot -92:sc= -4.43! USER MOD Single : B 21 MET CE :methyl -162:sc= 0 (180deg=-0.0681) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 4.488 0.949 -4.650 1.00 0.00 N ATOM 2 CA LYS A 5 4.117 1.938 -3.600 1.00 0.00 C ATOM 3 C LYS A 5 5.222 1.995 -2.550 1.00 0.00 C ATOM 4 O LYS A 5 4.993 1.708 -1.375 1.00 0.00 O ATOM 5 CB LYS A 5 2.797 1.516 -2.952 1.00 0.00 C ATOM 6 CG LYS A 5 1.678 1.572 -3.994 1.00 0.00 C ATOM 7 CD LYS A 5 0.367 1.103 -3.362 1.00 0.00 C ATOM 8 CE LYS A 5 -0.728 1.055 -4.429 1.00 0.00 C ATOM 9 NZ LYS A 5 -1.043 2.439 -4.881 1.00 0.00 N ATOM 0 HA LYS A 5 3.996 2.926 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.883 0.507 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.563 2.174 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.569 2.589 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.929 0.941 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.498 0.117 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.076 1.780 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.400 0.451 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.623 0.580 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.942 2.437 -5.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.125 3.064 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.282 2.783 -5.501 1.00 0.00 H new ATOM 22 N GLY A 6 6.421 2.366 -2.985 1.00 0.00 N ATOM 23 CA GLY A 6 7.563 2.456 -2.081 1.00 0.00 C ATOM 24 C GLY A 6 7.337 3.526 -1.019 1.00 0.00 C ATOM 25 O GLY A 6 7.951 3.499 0.047 1.00 0.00 O ATOM 0 H GLY A 6 6.628 2.609 -3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 6 7.728 1.491 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.464 2.687 -2.649 1.00 0.00 H new ATOM 29 N ALA A 7 6.458 4.473 -1.323 1.00 0.00 N ATOM 30 CA ALA A 7 6.164 5.556 -0.393 1.00 0.00 C ATOM 31 C ALA A 7 5.635 5.011 0.932 1.00 0.00 C ATOM 32 O ALA A 7 5.853 5.609 1.986 1.00 0.00 O ATOM 33 CB ALA A 7 5.129 6.501 -1.007 1.00 0.00 C ATOM 0 H ALA A 7 5.939 4.513 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 7 7.089 6.099 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.913 7.308 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.523 6.919 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.213 5.949 -1.218 1.00 0.00 H new ATOM 39 N ILE A 8 4.940 3.878 0.879 1.00 0.00 N ATOM 40 CA ILE A 8 4.389 3.279 2.089 1.00 0.00 C ATOM 41 C ILE A 8 5.495 2.673 2.953 1.00 0.00 C ATOM 42 O ILE A 8 5.673 3.058 4.109 1.00 0.00 O ATOM 43 CB ILE A 8 3.387 2.186 1.711 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.186 2.817 1.001 1.00 0.00 C ATOM 45 CG2 ILE A 8 2.910 1.467 2.976 1.00 0.00 C ATOM 46 CD1 ILE A 8 1.315 1.717 0.387 1.00 0.00 C ATOM 0 H ILE A 8 4.747 3.362 0.021 1.00 0.00 H new ATOM 0 HA ILE A 8 3.890 4.061 2.661 1.00 0.00 H new ATOM 0 HB ILE A 8 3.868 1.469 1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.601 3.406 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.528 3.500 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.196 0.689 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.764 1.016 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.430 2.183 3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.461 2.168 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.902 1.147 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.961 1.051 1.174 1.00 0.00 H new ATOM 58 N ILE A 9 6.230 1.721 2.385 1.00 0.00 N ATOM 59 CA ILE A 9 7.309 1.064 3.115 1.00 0.00 C ATOM 60 C ILE A 9 8.426 2.061 3.415 1.00 0.00 C ATOM 61 O ILE A 9 9.013 2.055 4.497 1.00 0.00 O ATOM 62 CB ILE A 9 7.854 -0.118 2.297 1.00 0.00 C ATOM 63 CG1 ILE A 9 8.735 -1.016 3.187 1.00 0.00 C ATOM 64 CG2 ILE A 9 8.688 0.408 1.124 1.00 0.00 C ATOM 65 CD1 ILE A 9 7.867 -1.925 4.071 1.00 0.00 C ATOM 0 H ILE A 9 6.100 1.390 1.429 1.00 0.00 H new ATOM 0 HA ILE A 9 6.918 0.686 4.060 1.00 0.00 H new ATOM 0 HB ILE A 9 7.015 -0.701 1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.389 -1.625 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.377 -0.397 3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.073 -0.432 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.064 1.033 0.485 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.521 0.998 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.509 -2.550 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.231 -1.312 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.244 -2.559 3.440 1.00 0.00 H new ATOM 77 N GLY A 10 8.711 2.920 2.446 1.00 0.00 N ATOM 78 CA GLY A 10 9.759 3.921 2.612 1.00 0.00 C ATOM 79 C GLY A 10 9.686 4.550 4.003 1.00 0.00 C ATOM 80 O GLY A 10 10.700 4.686 4.687 1.00 0.00 O ATOM 0 H GLY A 10 8.236 2.946 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.736 3.460 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.655 4.694 1.851 1.00 0.00 H new ATOM 84 N LEU A 11 8.478 4.915 4.416 1.00 0.00 N ATOM 85 CA LEU A 11 8.268 5.511 5.733 1.00 0.00 C ATOM 86 C LEU A 11 8.385 4.461 6.841 1.00 0.00 C ATOM 87 O LEU A 11 8.834 4.760 7.947 1.00 0.00 O ATOM 88 CB LEU A 11 6.888 6.193 5.781 1.00 0.00 C ATOM 89 CG LEU A 11 6.981 7.609 5.176 1.00 0.00 C ATOM 90 CD1 LEU A 11 5.603 8.056 4.686 1.00 0.00 C ATOM 91 CD2 LEU A 11 7.474 8.598 6.242 1.00 0.00 C ATOM 0 H LEU A 11 7.629 4.810 3.860 1.00 0.00 H new ATOM 0 HA LEU A 11 9.044 6.258 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.160 5.599 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.537 6.251 6.811 1.00 0.00 H new ATOM 0 HG LEU A 11 7.680 7.589 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.675 9.057 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.245 7.363 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.905 8.068 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.538 9.597 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.776 8.609 7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.459 8.292 6.595 1.00 0.00 H new ATOM 103 N MET A 12 7.965 3.235 6.539 1.00 0.00 N ATOM 104 CA MET A 12 8.011 2.152 7.498 1.00 0.00 C ATOM 105 C MET A 12 9.424 1.930 8.013 1.00 0.00 C ATOM 106 O MET A 12 9.694 2.090 9.202 1.00 0.00 O ATOM 107 CB MET A 12 7.509 0.892 6.795 1.00 0.00 C ATOM 108 CG MET A 12 7.266 -0.219 7.798 1.00 0.00 C ATOM 109 SD MET A 12 8.848 -0.968 8.272 1.00 0.00 S ATOM 110 CE MET A 12 8.504 -1.189 10.035 1.00 0.00 C ATOM 0 H MET A 12 7.587 2.973 5.628 1.00 0.00 H new ATOM 0 HA MET A 12 7.387 2.396 8.358 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.587 1.112 6.258 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.240 0.567 6.054 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.761 0.177 8.679 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.609 -0.975 7.367 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.367 -1.644 10.520 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.301 -0.220 10.490 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.636 -1.836 10.158 1.00 0.00 H new ATOM 120 N VAL A 13 10.323 1.561 7.115 1.00 0.00 N ATOM 121 CA VAL A 13 11.701 1.320 7.501 1.00 0.00 C ATOM 122 C VAL A 13 12.294 2.569 8.138 1.00 0.00 C ATOM 123 O VAL A 13 13.265 2.487 8.887 1.00 0.00 O ATOM 124 CB VAL A 13 12.531 0.892 6.292 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.052 -0.483 5.819 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.357 1.910 5.163 1.00 0.00 C ATOM 0 H VAL A 13 10.125 1.423 6.124 1.00 0.00 H new ATOM 0 HA VAL A 13 11.720 0.512 8.232 1.00 0.00 H new ATOM 0 HB VAL A 13 13.584 0.841 6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.640 -0.796 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.175 -1.208 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.000 -0.426 5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.950 1.603 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.306 1.963 4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.691 2.890 5.502 1.00 0.00 H new ATOM 136 N GLY A 14 11.708 3.727 7.849 1.00 0.00 N ATOM 137 CA GLY A 14 12.192 4.972 8.428 1.00 0.00 C ATOM 138 C GLY A 14 11.778 5.087 9.896 1.00 0.00 C ATOM 139 O GLY A 14 12.535 5.580 10.725 1.00 0.00 O ATOM 0 H GLY A 14 10.907 3.828 7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.278 5.017 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.795 5.818 7.866 1.00 0.00 H new ATOM 143 N GLY A 15 10.562 4.644 10.213 1.00 0.00 N ATOM 144 CA GLY A 15 10.085 4.730 11.586 1.00 0.00 C ATOM 145 C GLY A 15 11.046 4.017 12.532 1.00 0.00 C ATOM 146 O GLY A 15 11.515 4.600 13.506 1.00 0.00 O ATOM 0 H GLY A 15 9.904 4.231 9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.987 5.776 11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.093 4.284 11.661 1.00 0.00 H new ATOM 150 N VAL A 16 11.316 2.750 12.252 1.00 0.00 N ATOM 151 CA VAL A 16 12.203 1.959 13.099 1.00 0.00 C ATOM 152 C VAL A 16 13.525 2.687 13.347 1.00 0.00 C ATOM 153 O VAL A 16 14.214 2.407 14.324 1.00 0.00 O ATOM 154 CB VAL A 16 12.474 0.605 12.437 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.185 -0.219 12.396 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.961 0.831 11.008 1.00 0.00 C ATOM 0 H VAL A 16 10.937 2.248 11.449 1.00 0.00 H new ATOM 0 HA VAL A 16 11.713 1.808 14.061 1.00 0.00 H new ATOM 0 HB VAL A 16 13.231 0.071 13.011 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.383 -1.181 11.924 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.824 -0.380 13.412 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.429 0.317 11.823 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.155 -0.131 10.533 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.197 1.367 10.444 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.879 1.419 11.025 1.00 0.00 H new ATOM 166 N VAL A 17 13.856 3.626 12.463 1.00 0.00 N ATOM 167 CA VAL A 17 15.090 4.409 12.608 1.00 0.00 C ATOM 168 C VAL A 17 14.878 5.623 13.523 1.00 0.00 C ATOM 169 O VAL A 17 15.688 5.905 14.407 1.00 0.00 O ATOM 170 CB VAL A 17 15.606 4.895 11.249 1.00 0.00 C ATOM 171 CG1 VAL A 17 16.797 5.834 11.475 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.057 3.700 10.407 1.00 0.00 C ATOM 0 H VAL A 17 13.296 3.865 11.645 1.00 0.00 H new ATOM 0 HA VAL A 17 15.830 3.746 13.057 1.00 0.00 H new ATOM 0 HB VAL A 17 14.809 5.422 10.724 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.171 6.185 10.513 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.479 6.687 12.074 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.589 5.298 11.999 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.423 4.052 9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.855 3.170 10.926 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.215 3.026 10.252 1.00 0.00 H new ATOM 182 N ILE A 18 13.804 6.357 13.269 1.00 0.00 N ATOM 183 CA ILE A 18 13.515 7.553 14.059 1.00 0.00 C ATOM 184 C ILE A 18 13.107 7.184 15.480 1.00 0.00 C ATOM 185 O ILE A 18 13.579 7.779 16.452 1.00 0.00 O ATOM 186 CB ILE A 18 12.414 8.387 13.399 1.00 0.00 C ATOM 187 CG1 ILE A 18 12.805 8.718 11.948 1.00 0.00 C ATOM 188 CG2 ILE A 18 12.210 9.684 14.188 1.00 0.00 C ATOM 189 CD1 ILE A 18 14.172 9.421 11.892 1.00 0.00 C ATOM 0 H ILE A 18 13.126 6.153 12.535 1.00 0.00 H new ATOM 0 HA ILE A 18 14.427 8.148 14.104 1.00 0.00 H new ATOM 0 HB ILE A 18 11.486 7.816 13.395 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.839 7.802 11.359 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.045 9.357 11.500 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.426 10.277 13.717 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.920 9.446 15.211 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.139 10.254 14.198 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.424 9.644 10.855 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.128 10.349 12.462 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.934 8.769 12.319 1.00 0.00 H new ATOM 201 N ALA A 19 12.204 6.221 15.590 1.00 0.00 N ATOM 202 CA ALA A 19 11.700 5.797 16.890 1.00 0.00 C ATOM 203 C ALA A 19 12.833 5.428 17.841 1.00 0.00 C ATOM 204 O ALA A 19 12.782 5.751 19.029 1.00 0.00 O ATOM 205 CB ALA A 19 10.766 4.601 16.713 1.00 0.00 C ATOM 0 H ALA A 19 11.805 5.719 14.797 1.00 0.00 H new ATOM 0 HA ALA A 19 11.156 6.634 17.328 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.390 4.286 17.686 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.929 4.884 16.075 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.312 3.778 16.251 1.00 0.00 H new ATOM 211 N THR A 20 13.841 4.741 17.323 1.00 0.00 N ATOM 212 CA THR A 20 14.969 4.325 18.155 1.00 0.00 C ATOM 213 C THR A 20 15.930 5.476 18.385 1.00 0.00 C ATOM 214 O THR A 20 16.723 5.456 19.327 1.00 0.00 O ATOM 215 CB THR A 20 15.715 3.171 17.495 1.00 0.00 C ATOM 216 OG1 THR A 20 16.878 2.876 18.248 1.00 0.00 O ATOM 217 CG2 THR A 20 16.122 3.555 16.075 1.00 0.00 C ATOM 0 H THR A 20 13.905 4.461 16.344 1.00 0.00 H new ATOM 0 HA THR A 20 14.572 4.001 19.117 1.00 0.00 H new ATOM 0 HB THR A 20 15.063 2.298 17.458 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.636 3.385 17.892 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.654 2.724 15.612 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.231 3.786 15.491 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.772 4.430 16.107 1.00 0.00 H new ATOM 225 N MET A 21 15.863 6.485 17.531 1.00 0.00 N ATOM 226 CA MET A 21 16.734 7.637 17.683 1.00 0.00 C ATOM 227 C MET A 21 16.202 8.550 18.782 1.00 0.00 C ATOM 228 O MET A 21 16.978 9.165 19.511 1.00 0.00 O ATOM 229 CB MET A 21 16.857 8.397 16.358 1.00 0.00 C ATOM 230 CG MET A 21 17.893 7.700 15.463 1.00 0.00 C ATOM 231 SD MET A 21 19.554 7.949 16.156 1.00 0.00 S ATOM 232 CE MET A 21 19.963 6.214 16.511 1.00 0.00 C ATOM 0 H MET A 21 15.224 6.530 16.737 1.00 0.00 H new ATOM 0 HA MET A 21 17.728 7.292 17.967 1.00 0.00 H new ATOM 0 HB2 MET A 21 15.891 8.432 15.855 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.157 9.428 16.544 1.00 0.00 H new ATOM 0 HG2 MET A 21 17.672 6.635 15.393 1.00 0.00 H new ATOM 0 HG3 MET A 21 17.845 8.102 14.451 1.00 0.00 H new ATOM 0 HE1 MET A 21 20.790 6.173 17.220 1.00 0.00 H new ATOM 0 HE2 MET A 21 19.093 5.715 16.938 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.252 5.712 15.588 1.00 0.00 H new ATOM 242 N ILE A 22 14.877 8.645 18.902 1.00 0.00 N ATOM 243 CA ILE A 22 14.281 9.500 19.923 1.00 0.00 C ATOM 244 C ILE A 22 14.659 9.014 21.320 1.00 0.00 C ATOM 245 O ILE A 22 15.077 9.802 22.162 1.00 0.00 O ATOM 246 CB ILE A 22 12.754 9.492 19.772 1.00 0.00 C ATOM 247 CG1 ILE A 22 12.366 10.155 18.445 1.00 0.00 C ATOM 248 CG2 ILE A 22 12.119 10.267 20.930 1.00 0.00 C ATOM 249 CD1 ILE A 22 10.887 9.890 18.149 1.00 0.00 C ATOM 0 H ILE A 22 14.207 8.148 18.314 1.00 0.00 H new ATOM 0 HA ILE A 22 14.659 10.514 19.793 1.00 0.00 H new ATOM 0 HB ILE A 22 12.397 8.462 19.784 1.00 0.00 H new ATOM 0 HG12 ILE A 22 12.550 11.228 18.496 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.984 9.764 17.637 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.034 10.260 20.821 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.392 9.797 21.875 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.478 11.296 20.919 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.614 10.363 17.205 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.717 8.816 18.079 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.276 10.303 18.951 1.00 0.00 H new ATOM 261 N VAL A 23 14.503 7.714 21.564 1.00 0.00 N ATOM 262 CA VAL A 23 14.826 7.154 22.876 1.00 0.00 C ATOM 263 C VAL A 23 16.306 7.305 23.162 1.00 0.00 C ATOM 264 O VAL A 23 16.713 7.544 24.295 1.00 0.00 O ATOM 265 CB VAL A 23 14.450 5.671 22.946 1.00 0.00 C ATOM 266 CG1 VAL A 23 12.935 5.500 22.723 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.235 4.910 21.873 1.00 0.00 C ATOM 0 H VAL A 23 14.160 7.037 20.882 1.00 0.00 H new ATOM 0 HA VAL A 23 14.251 7.701 23.623 1.00 0.00 H new ATOM 0 HB VAL A 23 14.699 5.273 23.930 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.677 4.442 22.774 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.390 6.045 23.494 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.665 5.892 21.742 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.975 3.852 21.914 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.986 5.307 20.889 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.304 5.028 22.052 1.00 0.00 H new ATOM 277 N ILE A 24 17.114 7.196 22.123 1.00 0.00 N ATOM 278 CA ILE A 24 18.555 7.354 22.282 1.00 0.00 C ATOM 279 C ILE A 24 18.842 8.565 23.199 1.00 0.00 C ATOM 280 O ILE A 24 19.897 8.652 23.827 1.00 0.00 O ATOM 281 CB ILE A 24 19.203 7.518 20.879 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.386 6.544 20.718 1.00 0.00 C ATOM 283 CG2 ILE A 24 19.702 8.954 20.641 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.884 5.083 20.783 1.00 0.00 C ATOM 0 H ILE A 24 16.806 7.001 21.170 1.00 0.00 H new ATOM 0 HA ILE A 24 18.990 6.473 22.754 1.00 0.00 H new ATOM 0 HB ILE A 24 18.431 7.294 20.143 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.887 6.723 19.767 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.121 6.719 21.503 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.148 9.025 19.649 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.864 9.647 20.712 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.449 9.209 21.393 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.728 4.403 20.668 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.404 4.906 21.745 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.166 4.909 19.981 1.00 0.00 H new ATOM 296 N THR A 25 17.866 9.471 23.277 1.00 0.00 N ATOM 297 CA THR A 25 17.995 10.661 24.129 1.00 0.00 C ATOM 298 C THR A 25 17.709 10.309 25.592 1.00 0.00 C ATOM 299 O THR A 25 18.426 10.741 26.491 1.00 0.00 O ATOM 300 CB THR A 25 17.078 11.804 23.630 1.00 0.00 C ATOM 301 OG1 THR A 25 17.662 13.051 23.971 1.00 0.00 O ATOM 302 CG2 THR A 25 15.688 11.719 24.266 1.00 0.00 C ATOM 0 H THR A 25 16.985 9.408 22.767 1.00 0.00 H new ATOM 0 HA THR A 25 19.023 11.018 24.066 1.00 0.00 H new ATOM 0 HB THR A 25 16.972 11.710 22.549 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.086 13.779 23.656 1.00 0.00 H new ATOM 0 HG21 THR A 25 15.068 12.535 23.895 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.227 10.766 24.006 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.778 11.795 25.350 1.00 0.00 H new ATOM 310 N LEU A 26 16.669 9.511 25.826 1.00 0.00 N ATOM 311 CA LEU A 26 16.294 9.087 27.173 1.00 0.00 C ATOM 312 C LEU A 26 17.521 8.588 27.938 1.00 0.00 C ATOM 313 O LEU A 26 17.645 8.769 29.144 1.00 0.00 O ATOM 314 CB LEU A 26 15.233 7.990 26.994 1.00 0.00 C ATOM 315 CG LEU A 26 14.887 7.259 28.297 1.00 0.00 C ATOM 316 CD1 LEU A 26 16.009 6.271 28.690 1.00 0.00 C ATOM 317 CD2 LEU A 26 14.611 8.283 29.414 1.00 0.00 C ATOM 0 H LEU A 26 16.065 9.142 25.091 1.00 0.00 H new ATOM 0 HA LEU A 26 15.890 9.909 27.763 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.326 8.435 26.584 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.591 7.265 26.263 1.00 0.00 H new ATOM 0 HG LEU A 26 13.982 6.670 28.145 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.740 5.765 29.617 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.138 5.533 27.898 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.941 6.817 28.832 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.366 7.757 30.337 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.497 8.898 29.571 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.774 8.919 29.126 1.00 0.00 H new ATOM 329 N VAL A 27 18.456 8.011 27.214 1.00 0.00 N ATOM 330 CA VAL A 27 19.690 7.538 27.825 1.00 0.00 C ATOM 331 C VAL A 27 20.474 8.729 28.381 1.00 0.00 C ATOM 332 O VAL A 27 21.051 8.664 29.466 1.00 0.00 O ATOM 333 CB VAL A 27 20.541 6.794 26.794 1.00 0.00 C ATOM 334 CG1 VAL A 27 21.687 6.063 27.500 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.672 5.779 26.043 1.00 0.00 C ATOM 0 H VAL A 27 18.391 7.857 26.208 1.00 0.00 H new ATOM 0 HA VAL A 27 19.445 6.853 28.636 1.00 0.00 H new ATOM 0 HB VAL A 27 20.953 7.512 26.085 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.291 5.534 26.762 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.309 6.786 28.027 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.278 5.348 28.213 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.281 5.251 25.309 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.255 5.063 26.751 1.00 0.00 H new ATOM 0 HG23 VAL A 27 18.861 6.300 25.534 1.00 0.00 H new ATOM 345 N MET A 28 20.475 9.809 27.610 1.00 0.00 N ATOM 346 CA MET A 28 21.175 11.032 27.997 1.00 0.00 C ATOM 347 C MET A 28 20.510 11.679 29.208 1.00 0.00 C ATOM 348 O MET A 28 21.177 12.328 30.013 1.00 0.00 O ATOM 349 CB MET A 28 21.217 12.035 26.839 1.00 0.00 C ATOM 350 CG MET A 28 22.116 11.489 25.732 1.00 0.00 C ATOM 351 SD MET A 28 22.167 12.662 24.357 1.00 0.00 S ATOM 352 CE MET A 28 23.018 11.580 23.184 1.00 0.00 C ATOM 0 H MET A 28 19.998 9.865 26.710 1.00 0.00 H new ATOM 0 HA MET A 28 22.196 10.754 28.258 1.00 0.00 H new ATOM 0 HB2 MET A 28 20.211 12.207 26.455 1.00 0.00 H new ATOM 0 HB3 MET A 28 21.594 12.996 27.189 1.00 0.00 H new ATOM 0 HG2 MET A 28 23.122 11.320 26.117 1.00 0.00 H new ATOM 0 HG3 MET A 28 21.741 10.525 25.387 1.00 0.00 H new ATOM 0 HE1 MET A 28 23.161 12.107 22.241 1.00 0.00 H new ATOM 0 HE2 MET A 28 23.988 11.294 23.590 1.00 0.00 H new ATOM 0 HE3 MET A 28 22.419 10.686 23.013 1.00 0.00 H new ATOM 362 N LEU A 29 19.195 11.514 29.324 1.00 0.00 N ATOM 363 CA LEU A 29 18.456 12.104 30.437 1.00 0.00 C ATOM 364 C LEU A 29 18.680 11.313 31.724 1.00 0.00 C ATOM 365 O LEU A 29 18.269 11.743 32.802 1.00 0.00 O ATOM 366 CB LEU A 29 16.961 12.117 30.114 1.00 0.00 C ATOM 367 CG LEU A 29 16.715 12.872 28.802 1.00 0.00 C ATOM 368 CD1 LEU A 29 15.222 12.821 28.464 1.00 0.00 C ATOM 369 CD2 LEU A 29 17.159 14.340 28.946 1.00 0.00 C ATOM 0 H LEU A 29 18.623 10.982 28.668 1.00 0.00 H new ATOM 0 HA LEU A 29 18.818 13.122 30.582 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.590 11.096 30.031 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.409 12.592 30.925 1.00 0.00 H new ATOM 0 HG LEU A 29 17.291 12.404 28.004 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.041 13.356 27.532 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.909 11.783 28.352 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.651 13.288 29.267 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.980 14.868 28.009 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.590 14.816 29.745 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.222 14.377 29.186 1.00 0.00 H new ATOM 381 N LYS A 30 19.330 10.159 31.611 1.00 0.00 N ATOM 382 CA LYS A 30 19.592 9.328 32.784 1.00 0.00 C ATOM 383 C LYS A 30 20.451 10.078 33.795 1.00 0.00 C ATOM 384 O LYS A 30 20.263 9.941 35.004 1.00 0.00 O ATOM 385 CB LYS A 30 20.303 8.031 32.386 1.00 0.00 C ATOM 386 CG LYS A 30 19.331 7.120 31.632 1.00 0.00 C ATOM 387 CD LYS A 30 20.067 5.868 31.135 1.00 0.00 C ATOM 388 CE LYS A 30 20.333 4.908 32.300 1.00 0.00 C ATOM 389 NZ LYS A 30 20.744 3.581 31.758 1.00 0.00 N ATOM 0 H LYS A 30 19.682 9.780 30.732 1.00 0.00 H new ATOM 0 HA LYS A 30 18.630 9.085 33.236 1.00 0.00 H new ATOM 0 HB2 LYS A 30 21.166 8.256 31.759 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.678 7.523 33.275 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.507 6.833 32.285 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.897 7.656 30.788 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.472 5.367 30.371 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.010 6.154 30.668 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.115 5.308 32.946 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.437 4.803 32.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.926 2.926 32.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.984 3.200 31.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.609 3.690 31.192 1.00 0.00 H new ATOM 403 N LYS A 31 21.397 10.875 33.298 1.00 0.00 N ATOM 404 CA LYS A 31 22.283 11.649 34.169 1.00 0.00 C ATOM 405 C LYS A 31 21.838 13.106 34.228 1.00 0.00 C ATOM 406 O LYS A 31 22.602 13.981 34.635 1.00 0.00 O ATOM 407 CB LYS A 31 23.720 11.577 33.647 1.00 0.00 C ATOM 408 CG LYS A 31 24.244 10.148 33.792 1.00 0.00 C ATOM 409 CD LYS A 31 25.683 10.074 33.279 1.00 0.00 C ATOM 410 CE LYS A 31 26.211 8.648 33.445 1.00 0.00 C ATOM 411 NZ LYS A 31 27.616 8.577 32.954 1.00 0.00 N ATOM 0 H LYS A 31 21.570 11.002 32.301 1.00 0.00 H new ATOM 0 HA LYS A 31 22.236 11.224 35.172 1.00 0.00 H new ATOM 0 HB2 LYS A 31 23.754 11.884 32.602 1.00 0.00 H new ATOM 0 HB3 LYS A 31 24.355 12.267 34.203 1.00 0.00 H new ATOM 0 HG2 LYS A 31 24.203 9.839 34.837 1.00 0.00 H new ATOM 0 HG3 LYS A 31 23.612 9.460 33.231 1.00 0.00 H new ATOM 0 HD2 LYS A 31 25.722 10.368 32.230 1.00 0.00 H new ATOM 0 HD3 LYS A 31 26.313 10.773 33.829 1.00 0.00 H new ATOM 0 HE2 LYS A 31 26.166 8.352 34.493 1.00 0.00 H new ATOM 0 HE3 LYS A 31 25.585 7.950 32.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 27.975 7.607 33.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 27.646 8.842 31.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 28.209 9.232 33.503 1.00 0.00 H new ATOM 425 N LYS A 32 20.600 13.359 33.818 1.00 0.00 N ATOM 426 CA LYS A 32 20.062 14.715 33.832 1.00 0.00 C ATOM 427 C LYS A 32 20.934 15.647 32.997 1.00 0.00 C ATOM 428 O LYS A 32 21.889 16.178 33.540 1.00 0.00 O ATOM 429 CB LYS A 32 19.984 15.231 35.270 1.00 0.00 C ATOM 430 CG LYS A 32 19.286 16.591 35.287 1.00 0.00 C ATOM 431 CD LYS A 32 19.159 17.081 36.730 1.00 0.00 C ATOM 432 CE LYS A 32 18.444 18.433 36.750 1.00 0.00 C ATOM 433 NZ LYS A 32 18.312 18.904 38.158 1.00 0.00 N ATOM 0 H LYS A 32 19.954 12.649 33.474 1.00 0.00 H new ATOM 0 HA LYS A 32 19.061 14.694 33.401 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.438 14.522 35.893 1.00 0.00 H new ATOM 0 HB3 LYS A 32 20.986 15.319 35.691 1.00 0.00 H new ATOM 0 HG2 LYS A 32 19.853 17.310 34.696 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.299 16.511 34.831 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.603 16.355 37.324 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.147 17.173 37.182 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.003 19.161 36.163 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.459 18.343 36.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.826 19.823 38.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 17.761 18.212 38.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.257 19.005 38.580 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -6.706 -1.975 4.871 1.00 0.00 N ATOM 449 CA LYS B 5 -5.446 -2.768 4.923 1.00 0.00 C ATOM 450 C LYS B 5 -4.681 -2.412 6.194 1.00 0.00 C ATOM 451 O LYS B 5 -3.551 -1.926 6.135 1.00 0.00 O ATOM 452 CB LYS B 5 -4.596 -2.447 3.691 1.00 0.00 C ATOM 453 CG LYS B 5 -5.331 -2.914 2.433 1.00 0.00 C ATOM 454 CD LYS B 5 -4.505 -2.552 1.196 1.00 0.00 C ATOM 455 CE LYS B 5 -5.288 -2.919 -0.066 1.00 0.00 C ATOM 456 NZ LYS B 5 -5.421 -4.400 -0.157 1.00 0.00 N ATOM 0 HA LYS B 5 -5.676 -3.833 4.930 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.404 -1.375 3.637 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.627 -2.941 3.765 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -5.494 -3.991 2.473 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -6.313 -2.445 2.378 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.276 -1.486 1.198 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -3.553 -3.083 1.213 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -6.274 -2.456 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -4.777 -2.535 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -5.719 -4.663 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -4.505 -4.844 0.055 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.132 -4.727 0.528 1.00 0.00 H new ATOM 469 N GLY B 6 -5.309 -2.655 7.339 1.00 0.00 N ATOM 470 CA GLY B 6 -4.687 -2.358 8.624 1.00 0.00 C ATOM 471 C GLY B 6 -3.438 -3.206 8.838 1.00 0.00 C ATOM 472 O GLY B 6 -2.560 -2.851 9.623 1.00 0.00 O ATOM 0 H GLY B 6 -6.245 -3.055 7.404 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.425 -1.301 8.669 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.399 -2.544 9.428 1.00 0.00 H new ATOM 476 N ALA B 7 -3.372 -4.333 8.140 1.00 0.00 N ATOM 477 CA ALA B 7 -2.231 -5.232 8.266 1.00 0.00 C ATOM 478 C ALA B 7 -0.931 -4.523 7.897 1.00 0.00 C ATOM 479 O ALA B 7 0.132 -4.843 8.430 1.00 0.00 O ATOM 480 CB ALA B 7 -2.426 -6.448 7.359 1.00 0.00 C ATOM 0 H ALA B 7 -4.089 -4.645 7.485 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.165 -5.555 9.305 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.570 -7.116 7.457 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.334 -6.976 7.649 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.513 -6.119 6.323 1.00 0.00 H new ATOM 486 N ILE B 8 -1.014 -3.560 6.982 1.00 0.00 N ATOM 487 CA ILE B 8 0.173 -2.824 6.557 1.00 0.00 C ATOM 488 C ILE B 8 0.647 -1.872 7.654 1.00 0.00 C ATOM 489 O ILE B 8 1.779 -1.973 8.128 1.00 0.00 O ATOM 490 CB ILE B 8 -0.146 -2.022 5.293 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.446 -2.984 4.139 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.055 -1.147 4.927 1.00 0.00 C ATOM 493 CD1 ILE B 8 -1.020 -2.202 2.955 1.00 0.00 C ATOM 0 H ILE B 8 -1.880 -3.274 6.525 1.00 0.00 H new ATOM 0 HA ILE B 8 0.967 -3.542 6.352 1.00 0.00 H new ATOM 0 HB ILE B 8 -1.015 -1.390 5.475 1.00 0.00 H new ATOM 0 HG12 ILE B 8 0.464 -3.502 3.838 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -1.155 -3.746 4.462 1.00 0.00 H new ATOM 0 HG21 ILE B 8 0.828 -0.576 4.027 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.269 -0.462 5.747 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.924 -1.779 4.746 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -1.233 -2.888 2.135 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.940 -1.704 3.260 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.296 -1.457 2.626 1.00 0.00 H new ATOM 505 N ILE B 9 -0.223 -0.946 8.047 1.00 0.00 N ATOM 506 CA ILE B 9 0.120 0.022 9.081 1.00 0.00 C ATOM 507 C ILE B 9 0.319 -0.684 10.420 1.00 0.00 C ATOM 508 O ILE B 9 1.217 -0.348 11.191 1.00 0.00 O ATOM 509 CB ILE B 9 -0.985 1.085 9.196 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.482 2.285 10.019 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.213 0.478 9.884 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.412 3.196 9.163 1.00 0.00 C ATOM 0 H ILE B 9 -1.164 -0.847 7.667 1.00 0.00 H new ATOM 0 HA ILE B 9 1.053 0.515 8.807 1.00 0.00 H new ATOM 0 HB ILE B 9 -1.254 1.424 8.196 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -1.331 2.853 10.398 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.076 1.930 10.885 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.995 1.233 9.965 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.580 -0.364 9.297 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.938 0.133 10.881 1.00 0.00 H new ATOM 0 HD11 ILE B 9 0.756 4.037 9.765 1.00 0.00 H new ATOM 0 HD12 ILE B 9 1.272 2.630 8.805 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -0.157 3.568 8.311 1.00 0.00 H new ATOM 524 N GLY B 10 -0.529 -1.668 10.688 1.00 0.00 N ATOM 525 CA GLY B 10 -0.442 -2.416 11.935 1.00 0.00 C ATOM 526 C GLY B 10 1.012 -2.747 12.265 1.00 0.00 C ATOM 527 O GLY B 10 1.459 -2.566 13.397 1.00 0.00 O ATOM 0 H GLY B 10 -1.279 -1.965 10.064 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.881 -1.834 12.745 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -1.020 -3.336 11.854 1.00 0.00 H new ATOM 531 N LEU B 11 1.746 -3.216 11.262 1.00 0.00 N ATOM 532 CA LEU B 11 3.156 -3.552 11.438 1.00 0.00 C ATOM 533 C LEU B 11 4.016 -2.292 11.539 1.00 0.00 C ATOM 534 O LEU B 11 5.026 -2.274 12.243 1.00 0.00 O ATOM 535 CB LEU B 11 3.629 -4.436 10.270 1.00 0.00 C ATOM 536 CG LEU B 11 3.264 -5.910 10.544 1.00 0.00 C ATOM 537 CD1 LEU B 11 3.177 -6.679 9.225 1.00 0.00 C ATOM 538 CD2 LEU B 11 4.342 -6.557 11.426 1.00 0.00 C ATOM 0 H LEU B 11 1.389 -3.372 10.319 1.00 0.00 H new ATOM 0 HA LEU B 11 3.266 -4.103 12.372 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.165 -4.104 9.341 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.707 -4.337 10.141 1.00 0.00 H new ATOM 0 HG LEU B 11 2.301 -5.944 11.053 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.919 -7.719 9.426 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.411 -6.231 8.592 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.139 -6.636 8.715 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.080 -7.598 11.617 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.304 -6.513 10.916 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.408 -6.020 12.372 1.00 0.00 H new ATOM 550 N MET B 12 3.618 -1.245 10.822 1.00 0.00 N ATOM 551 CA MET B 12 4.346 0.006 10.820 1.00 0.00 C ATOM 552 C MET B 12 4.481 0.568 12.226 1.00 0.00 C ATOM 553 O MET B 12 5.588 0.707 12.746 1.00 0.00 O ATOM 554 CB MET B 12 3.576 0.986 9.939 1.00 0.00 C ATOM 555 CG MET B 12 4.407 2.225 9.664 1.00 0.00 C ATOM 556 SD MET B 12 4.374 3.313 11.113 1.00 0.00 S ATOM 557 CE MET B 12 6.107 3.838 11.072 1.00 0.00 C ATOM 0 H MET B 12 2.786 -1.246 10.232 1.00 0.00 H new ATOM 0 HA MET B 12 5.354 -0.156 10.437 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.309 0.505 8.998 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.644 1.268 10.429 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.434 1.942 9.432 1.00 0.00 H new ATOM 0 HG3 MET B 12 4.017 2.751 8.793 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.299 4.525 11.897 1.00 0.00 H new ATOM 0 HE2 MET B 12 6.754 2.966 11.168 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.313 4.340 10.127 1.00 0.00 H new ATOM 567 N VAL B 13 3.353 0.891 12.838 1.00 0.00 N ATOM 568 CA VAL B 13 3.370 1.439 14.182 1.00 0.00 C ATOM 569 C VAL B 13 4.054 0.470 15.136 1.00 0.00 C ATOM 570 O VAL B 13 4.537 0.871 16.194 1.00 0.00 O ATOM 571 CB VAL B 13 1.949 1.743 14.656 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.375 2.886 13.814 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.077 0.497 14.492 1.00 0.00 C ATOM 0 H VAL B 13 2.424 0.784 12.430 1.00 0.00 H new ATOM 0 HA VAL B 13 3.933 2.372 14.169 1.00 0.00 H new ATOM 0 HB VAL B 13 1.966 2.033 15.707 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.361 3.109 14.146 1.00 0.00 H new ATOM 0 HG12 VAL B 13 1.998 3.773 13.931 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.357 2.591 12.765 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.064 0.715 14.830 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.054 0.205 13.442 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.491 -0.318 15.087 1.00 0.00 H new ATOM 583 N GLY B 14 4.104 -0.806 14.762 1.00 0.00 N ATOM 584 CA GLY B 14 4.757 -1.802 15.599 1.00 0.00 C ATOM 585 C GLY B 14 6.279 -1.676 15.509 1.00 0.00 C ATOM 586 O GLY B 14 6.984 -1.849 16.497 1.00 0.00 O ATOM 0 H GLY B 14 3.705 -1.169 13.896 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.438 -1.679 16.634 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.452 -2.801 15.288 1.00 0.00 H new ATOM 590 N GLY B 15 6.788 -1.390 14.310 1.00 0.00 N ATOM 591 CA GLY B 15 8.228 -1.266 14.134 1.00 0.00 C ATOM 592 C GLY B 15 8.797 -0.218 15.085 1.00 0.00 C ATOM 593 O GLY B 15 9.725 -0.495 15.841 1.00 0.00 O ATOM 0 H GLY B 15 6.235 -1.243 13.465 1.00 0.00 H new ATOM 0 HA2 GLY B 15 8.706 -2.228 14.317 1.00 0.00 H new ATOM 0 HA3 GLY B 15 8.451 -0.989 13.104 1.00 0.00 H new ATOM 597 N VAL B 16 8.253 0.989 15.026 1.00 0.00 N ATOM 598 CA VAL B 16 8.732 2.079 15.871 1.00 0.00 C ATOM 599 C VAL B 16 8.792 1.655 17.338 1.00 0.00 C ATOM 600 O VAL B 16 9.522 2.246 18.126 1.00 0.00 O ATOM 601 CB VAL B 16 7.807 3.291 15.720 1.00 0.00 C ATOM 602 CG1 VAL B 16 7.923 3.860 14.303 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.364 2.858 15.962 1.00 0.00 C ATOM 0 H VAL B 16 7.483 1.240 14.406 1.00 0.00 H new ATOM 0 HA VAL B 16 9.740 2.342 15.552 1.00 0.00 H new ATOM 0 HB VAL B 16 8.095 4.053 16.444 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.263 4.722 14.202 1.00 0.00 H new ATOM 0 HG12 VAL B 16 8.952 4.168 14.118 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.637 3.096 13.580 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.703 3.718 15.855 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.086 2.095 15.235 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.270 2.451 16.969 1.00 0.00 H new ATOM 613 N VAL B 17 8.026 0.621 17.684 1.00 0.00 N ATOM 614 CA VAL B 17 8.015 0.107 19.060 1.00 0.00 C ATOM 615 C VAL B 17 9.144 -0.907 19.288 1.00 0.00 C ATOM 616 O VAL B 17 9.855 -0.856 20.292 1.00 0.00 O ATOM 617 CB VAL B 17 6.674 -0.554 19.399 1.00 0.00 C ATOM 618 CG1 VAL B 17 6.776 -1.208 20.781 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.564 0.500 19.417 1.00 0.00 C ATOM 0 H VAL B 17 7.410 0.125 17.041 1.00 0.00 H new ATOM 0 HA VAL B 17 8.167 0.965 19.715 1.00 0.00 H new ATOM 0 HB VAL B 17 6.439 -1.307 18.647 1.00 0.00 H new ATOM 0 HG11 VAL B 17 5.826 -1.681 21.031 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.564 -1.961 20.770 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.010 -0.448 21.527 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.614 0.024 19.658 1.00 0.00 H new ATOM 0 HG22 VAL B 17 5.792 1.256 20.168 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.494 0.972 18.437 1.00 0.00 H new ATOM 629 N ILE B 18 9.268 -1.851 18.364 1.00 0.00 N ATOM 630 CA ILE B 18 10.290 -2.888 18.490 1.00 0.00 C ATOM 631 C ILE B 18 11.686 -2.305 18.291 1.00 0.00 C ATOM 632 O ILE B 18 12.610 -2.595 19.054 1.00 0.00 O ATOM 633 CB ILE B 18 10.047 -4.016 17.484 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.621 -4.570 17.652 1.00 0.00 C ATOM 635 CG2 ILE B 18 11.066 -5.137 17.711 1.00 0.00 C ATOM 636 CD1 ILE B 18 8.375 -5.026 19.101 1.00 0.00 C ATOM 0 H ILE B 18 8.685 -1.923 17.530 1.00 0.00 H new ATOM 0 HA ILE B 18 10.224 -3.297 19.498 1.00 0.00 H new ATOM 0 HB ILE B 18 10.160 -3.624 16.473 1.00 0.00 H new ATOM 0 HG12 ILE B 18 7.895 -3.804 17.380 1.00 0.00 H new ATOM 0 HG13 ILE B 18 8.470 -5.409 16.972 1.00 0.00 H new ATOM 0 HG21 ILE B 18 10.891 -5.939 16.994 1.00 0.00 H new ATOM 0 HG22 ILE B 18 12.074 -4.745 17.578 1.00 0.00 H new ATOM 0 HG23 ILE B 18 10.959 -5.526 18.723 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.360 -5.413 19.193 1.00 0.00 H new ATOM 0 HD12 ILE B 18 9.087 -5.809 19.362 1.00 0.00 H new ATOM 0 HD13 ILE B 18 8.503 -4.179 19.776 1.00 0.00 H new ATOM 648 N ALA B 19 11.835 -1.510 17.244 1.00 0.00 N ATOM 649 CA ALA B 19 13.127 -0.917 16.919 1.00 0.00 C ATOM 650 C ALA B 19 13.718 -0.170 18.109 1.00 0.00 C ATOM 651 O ALA B 19 14.923 -0.242 18.357 1.00 0.00 O ATOM 652 CB ALA B 19 12.971 0.040 15.737 1.00 0.00 C ATOM 0 H ALA B 19 11.081 -1.259 16.605 1.00 0.00 H new ATOM 0 HA ALA B 19 13.810 -1.725 16.657 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.938 0.482 15.496 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.597 -0.508 14.872 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.267 0.830 15.999 1.00 0.00 H new ATOM 658 N THR B 20 12.877 0.559 18.833 1.00 0.00 N ATOM 659 CA THR B 20 13.348 1.322 19.985 1.00 0.00 C ATOM 660 C THR B 20 13.541 0.425 21.192 1.00 0.00 C ATOM 661 O THR B 20 14.259 0.778 22.128 1.00 0.00 O ATOM 662 CB THR B 20 12.352 2.423 20.329 1.00 0.00 C ATOM 663 OG1 THR B 20 12.759 3.062 21.527 1.00 0.00 O ATOM 664 CG2 THR B 20 10.960 1.829 20.528 1.00 0.00 C ATOM 0 H THR B 20 11.877 0.639 18.647 1.00 0.00 H new ATOM 0 HA THR B 20 14.308 1.765 19.722 1.00 0.00 H new ATOM 0 HB THR B 20 12.321 3.143 19.512 1.00 0.00 H new ATOM 0 HG1 THR B 20 12.329 2.627 22.292 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.257 2.625 20.773 1.00 0.00 H new ATOM 0 HG22 THR B 20 10.642 1.333 19.611 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.987 1.104 21.342 1.00 0.00 H new ATOM 672 N MET B 21 12.906 -0.735 21.178 1.00 0.00 N ATOM 673 CA MET B 21 13.046 -1.663 22.285 1.00 0.00 C ATOM 674 C MET B 21 14.374 -2.405 22.178 1.00 0.00 C ATOM 675 O MET B 21 14.999 -2.712 23.192 1.00 0.00 O ATOM 676 CB MET B 21 11.874 -2.651 22.311 1.00 0.00 C ATOM 677 CG MET B 21 10.664 -1.990 22.987 1.00 0.00 C ATOM 678 SD MET B 21 10.992 -1.800 24.764 1.00 0.00 S ATOM 679 CE MET B 21 10.948 0.014 24.856 1.00 0.00 C ATOM 0 H MET B 21 12.297 -1.053 20.424 1.00 0.00 H new ATOM 0 HA MET B 21 13.035 -1.101 23.219 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.617 -2.954 21.296 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.158 -3.554 22.851 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.469 -1.017 22.536 1.00 0.00 H new ATOM 0 HG3 MET B 21 9.772 -2.597 22.834 1.00 0.00 H new ATOM 0 HE1 MET B 21 11.433 0.344 25.775 1.00 0.00 H new ATOM 0 HE2 MET B 21 11.472 0.435 23.998 1.00 0.00 H new ATOM 0 HE3 MET B 21 9.912 0.354 24.851 1.00 0.00 H new ATOM 689 N ILE B 22 14.808 -2.700 20.951 1.00 0.00 N ATOM 690 CA ILE B 22 16.065 -3.412 20.758 1.00 0.00 C ATOM 691 C ILE B 22 17.239 -2.588 21.284 1.00 0.00 C ATOM 692 O ILE B 22 18.082 -3.100 22.010 1.00 0.00 O ATOM 693 CB ILE B 22 16.268 -3.696 19.263 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.193 -4.676 18.779 1.00 0.00 C ATOM 695 CG2 ILE B 22 17.652 -4.312 19.040 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.198 -4.732 17.248 1.00 0.00 C ATOM 0 H ILE B 22 14.314 -2.460 20.091 1.00 0.00 H new ATOM 0 HA ILE B 22 16.022 -4.350 21.311 1.00 0.00 H new ATOM 0 HB ILE B 22 16.191 -2.763 18.705 1.00 0.00 H new ATOM 0 HG12 ILE B 22 15.380 -5.668 19.190 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.213 -4.362 19.138 1.00 0.00 H new ATOM 0 HG21 ILE B 22 17.794 -4.513 17.978 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.419 -3.618 19.384 1.00 0.00 H new ATOM 0 HG23 ILE B 22 17.730 -5.244 19.599 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.433 -5.429 16.907 1.00 0.00 H new ATOM 0 HD12 ILE B 22 14.990 -3.740 16.847 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.175 -5.066 16.899 1.00 0.00 H new ATOM 708 N VAL B 23 17.292 -1.312 20.905 1.00 0.00 N ATOM 709 CA VAL B 23 18.383 -0.443 21.348 1.00 0.00 C ATOM 710 C VAL B 23 18.345 -0.277 22.853 1.00 0.00 C ATOM 711 O VAL B 23 19.380 -0.203 23.509 1.00 0.00 O ATOM 712 CB VAL B 23 18.286 0.935 20.688 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.389 0.798 19.156 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.950 1.577 21.075 1.00 0.00 C ATOM 0 H VAL B 23 16.604 -0.861 20.302 1.00 0.00 H new ATOM 0 HA VAL B 23 19.323 -0.912 21.055 1.00 0.00 H new ATOM 0 HB VAL B 23 19.107 1.565 21.031 1.00 0.00 H new ATOM 0 HG11 VAL B 23 18.319 1.784 18.697 1.00 0.00 H new ATOM 0 HG12 VAL B 23 19.345 0.343 18.895 1.00 0.00 H new ATOM 0 HG13 VAL B 23 17.577 0.169 18.791 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.870 2.560 20.610 1.00 0.00 H new ATOM 0 HG22 VAL B 23 16.130 0.946 20.732 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.898 1.683 22.159 1.00 0.00 H new ATOM 724 N ILE B 24 17.146 -0.251 23.406 1.00 0.00 N ATOM 725 CA ILE B 24 16.998 -0.123 24.851 1.00 0.00 C ATOM 726 C ILE B 24 18.013 -1.053 25.556 1.00 0.00 C ATOM 727 O ILE B 24 18.387 -0.830 26.708 1.00 0.00 O ATOM 728 CB ILE B 24 15.532 -0.463 25.240 1.00 0.00 C ATOM 729 CG1 ILE B 24 14.947 0.642 26.139 1.00 0.00 C ATOM 730 CG2 ILE B 24 15.429 -1.811 25.973 1.00 0.00 C ATOM 731 CD1 ILE B 24 14.878 1.977 25.363 1.00 0.00 C ATOM 0 H ILE B 24 16.270 -0.316 22.888 1.00 0.00 H new ATOM 0 HA ILE B 24 17.206 0.898 25.171 1.00 0.00 H new ATOM 0 HB ILE B 24 14.964 -0.531 24.312 1.00 0.00 H new ATOM 0 HG12 ILE B 24 13.951 0.357 26.477 1.00 0.00 H new ATOM 0 HG13 ILE B 24 15.564 0.762 27.030 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.387 -2.009 26.226 1.00 0.00 H new ATOM 0 HG22 ILE B 24 15.803 -2.606 25.327 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.024 -1.775 26.886 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.463 2.752 26.008 1.00 0.00 H new ATOM 0 HD12 ILE B 24 15.880 2.266 25.047 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.242 1.856 24.486 1.00 0.00 H new ATOM 743 N THR B 25 18.463 -2.074 24.825 1.00 0.00 N ATOM 744 CA THR B 25 19.450 -3.021 25.362 1.00 0.00 C ATOM 745 C THR B 25 20.860 -2.427 25.294 1.00 0.00 C ATOM 746 O THR B 25 21.632 -2.534 26.244 1.00 0.00 O ATOM 747 CB THR B 25 19.373 -4.381 24.627 1.00 0.00 C ATOM 748 OG1 THR B 25 19.775 -5.413 25.515 1.00 0.00 O ATOM 749 CG2 THR B 25 20.285 -4.402 23.399 1.00 0.00 C ATOM 0 H THR B 25 18.165 -2.268 23.869 1.00 0.00 H new ATOM 0 HA THR B 25 19.214 -3.203 26.410 1.00 0.00 H new ATOM 0 HB THR B 25 18.345 -4.534 24.298 1.00 0.00 H new ATOM 0 HG1 THR B 25 19.727 -6.277 25.055 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.208 -5.371 22.905 1.00 0.00 H new ATOM 0 HG22 THR B 25 19.981 -3.617 22.707 1.00 0.00 H new ATOM 0 HG23 THR B 25 21.316 -4.234 23.709 1.00 0.00 H new ATOM 757 N LEU B 26 21.187 -1.786 24.173 1.00 0.00 N ATOM 758 CA LEU B 26 22.494 -1.159 23.982 1.00 0.00 C ATOM 759 C LEU B 26 22.865 -0.311 25.198 1.00 0.00 C ATOM 760 O LEU B 26 24.025 -0.213 25.585 1.00 0.00 O ATOM 761 CB LEU B 26 22.379 -0.320 22.698 1.00 0.00 C ATOM 762 CG LEU B 26 23.585 0.598 22.461 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.540 1.823 23.404 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.892 -0.201 22.624 1.00 0.00 C ATOM 0 H LEU B 26 20.558 -1.687 23.376 1.00 0.00 H new ATOM 0 HA LEU B 26 23.291 -1.896 23.882 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.267 -0.989 21.844 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.475 0.286 22.749 1.00 0.00 H new ATOM 0 HG LEU B 26 23.546 0.979 21.441 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.406 2.458 23.217 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.627 2.390 23.221 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.555 1.485 24.440 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.744 0.457 22.454 1.00 0.00 H new ATOM 0 HD22 LEU B 26 24.945 -0.610 23.633 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.913 -1.016 21.900 1.00 0.00 H new ATOM 776 N VAL B 27 21.862 0.254 25.833 1.00 0.00 N ATOM 777 CA VAL B 27 22.088 1.048 27.035 1.00 0.00 C ATOM 778 C VAL B 27 22.640 0.152 28.145 1.00 0.00 C ATOM 779 O VAL B 27 23.539 0.539 28.890 1.00 0.00 O ATOM 780 CB VAL B 27 20.779 1.694 27.495 1.00 0.00 C ATOM 781 CG1 VAL B 27 21.071 2.742 28.572 1.00 0.00 C ATOM 782 CG2 VAL B 27 20.084 2.361 26.304 1.00 0.00 C ATOM 0 H VAL B 27 20.886 0.183 25.545 1.00 0.00 H new ATOM 0 HA VAL B 27 22.809 1.834 26.811 1.00 0.00 H new ATOM 0 HB VAL B 27 20.126 0.925 27.908 1.00 0.00 H new ATOM 0 HG11 VAL B 27 20.137 3.200 28.897 1.00 0.00 H new ATOM 0 HG12 VAL B 27 21.556 2.264 29.423 1.00 0.00 H new ATOM 0 HG13 VAL B 27 21.728 3.510 28.164 1.00 0.00 H new ATOM 0 HG21 VAL B 27 19.153 2.819 26.636 1.00 0.00 H new ATOM 0 HG22 VAL B 27 20.736 3.127 25.885 1.00 0.00 H new ATOM 0 HG23 VAL B 27 19.868 1.612 25.542 1.00 0.00 H new ATOM 792 N MET B 28 22.079 -1.049 28.227 1.00 0.00 N ATOM 793 CA MET B 28 22.495 -2.026 29.231 1.00 0.00 C ATOM 794 C MET B 28 23.915 -2.510 28.962 1.00 0.00 C ATOM 795 O MET B 28 24.646 -2.852 29.892 1.00 0.00 O ATOM 796 CB MET B 28 21.541 -3.226 29.260 1.00 0.00 C ATOM 797 CG MET B 28 20.183 -2.777 29.793 1.00 0.00 C ATOM 798 SD MET B 28 19.052 -4.187 29.835 1.00 0.00 S ATOM 799 CE MET B 28 17.549 -3.247 30.198 1.00 0.00 C ATOM 0 H MET B 28 21.334 -1.372 27.610 1.00 0.00 H new ATOM 0 HA MET B 28 22.466 -1.530 30.201 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.432 -3.643 28.259 1.00 0.00 H new ATOM 0 HB3 MET B 28 21.950 -4.015 29.891 1.00 0.00 H new ATOM 0 HG2 MET B 28 20.294 -2.357 30.793 1.00 0.00 H new ATOM 0 HG3 MET B 28 19.775 -1.989 29.160 1.00 0.00 H new ATOM 0 HE1 MET B 28 16.702 -3.929 30.270 1.00 0.00 H new ATOM 0 HE2 MET B 28 17.670 -2.718 31.143 1.00 0.00 H new ATOM 0 HE3 MET B 28 17.368 -2.527 29.400 1.00 0.00 H new ATOM 809 N LEU B 29 24.300 -2.553 27.689 1.00 0.00 N ATOM 810 CA LEU B 29 25.633 -3.015 27.316 1.00 0.00 C ATOM 811 C LEU B 29 26.685 -1.948 27.610 1.00 0.00 C ATOM 812 O LEU B 29 27.885 -2.208 27.513 1.00 0.00 O ATOM 813 CB LEU B 29 25.666 -3.353 25.825 1.00 0.00 C ATOM 814 CG LEU B 29 24.593 -4.401 25.500 1.00 0.00 C ATOM 815 CD1 LEU B 29 24.600 -4.679 23.994 1.00 0.00 C ATOM 816 CD2 LEU B 29 24.880 -5.707 26.265 1.00 0.00 C ATOM 0 H LEU B 29 23.712 -2.275 26.903 1.00 0.00 H new ATOM 0 HA LEU B 29 25.860 -3.903 27.905 1.00 0.00 H new ATOM 0 HB2 LEU B 29 25.496 -2.452 25.236 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.651 -3.732 25.551 1.00 0.00 H new ATOM 0 HG LEU B 29 23.617 -4.021 25.802 1.00 0.00 H new ATOM 0 HD11 LEU B 29 23.839 -5.423 23.758 1.00 0.00 H new ATOM 0 HD12 LEU B 29 24.386 -3.757 23.453 1.00 0.00 H new ATOM 0 HD13 LEU B 29 25.579 -5.055 23.698 1.00 0.00 H new ATOM 0 HD21 LEU B 29 24.113 -6.444 26.027 1.00 0.00 H new ATOM 0 HD22 LEU B 29 25.857 -6.093 25.973 1.00 0.00 H new ATOM 0 HD23 LEU B 29 24.874 -5.510 27.337 1.00 0.00 H new ATOM 828 N LYS B 30 26.236 -0.748 27.966 1.00 0.00 N ATOM 829 CA LYS B 30 27.165 0.340 28.265 1.00 0.00 C ATOM 830 C LYS B 30 28.064 -0.026 29.439 1.00 0.00 C ATOM 831 O LYS B 30 29.243 0.325 29.462 1.00 0.00 O ATOM 832 CB LYS B 30 26.406 1.628 28.595 1.00 0.00 C ATOM 833 CG LYS B 30 25.751 2.182 27.326 1.00 0.00 C ATOM 834 CD LYS B 30 24.899 3.410 27.671 1.00 0.00 C ATOM 835 CE LYS B 30 25.796 4.623 27.942 1.00 0.00 C ATOM 836 NZ LYS B 30 24.962 5.857 27.956 1.00 0.00 N ATOM 0 H LYS B 30 25.249 -0.505 28.054 1.00 0.00 H new ATOM 0 HA LYS B 30 27.779 0.503 27.379 1.00 0.00 H new ATOM 0 HB2 LYS B 30 25.646 1.430 29.351 1.00 0.00 H new ATOM 0 HB3 LYS B 30 27.089 2.366 29.015 1.00 0.00 H new ATOM 0 HG2 LYS B 30 26.517 2.453 26.599 1.00 0.00 H new ATOM 0 HG3 LYS B 30 25.129 1.416 26.863 1.00 0.00 H new ATOM 0 HD2 LYS B 30 24.217 3.630 26.850 1.00 0.00 H new ATOM 0 HD3 LYS B 30 24.285 3.200 28.547 1.00 0.00 H new ATOM 0 HE2 LYS B 30 26.308 4.505 28.897 1.00 0.00 H new ATOM 0 HE3 LYS B 30 26.566 4.699 27.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 25.567 6.683 28.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.493 5.969 27.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 24.243 5.782 28.704 1.00 0.00 H new ATOM 850 N LYS B 31 27.503 -0.735 30.421 1.00 0.00 N ATOM 851 CA LYS B 31 28.266 -1.147 31.600 1.00 0.00 C ATOM 852 C LYS B 31 28.667 -2.614 31.492 1.00 0.00 C ATOM 853 O LYS B 31 29.031 -3.242 32.487 1.00 0.00 O ATOM 854 CB LYS B 31 27.425 -0.941 32.862 1.00 0.00 C ATOM 855 CG LYS B 31 27.207 0.556 33.090 1.00 0.00 C ATOM 856 CD LYS B 31 26.376 0.765 34.357 1.00 0.00 C ATOM 857 CE LYS B 31 26.178 2.263 34.594 1.00 0.00 C ATOM 858 NZ LYS B 31 25.376 2.469 35.833 1.00 0.00 N ATOM 0 H LYS B 31 26.528 -1.034 30.423 1.00 0.00 H new ATOM 0 HA LYS B 31 29.168 -0.537 31.658 1.00 0.00 H new ATOM 0 HB2 LYS B 31 26.465 -1.448 32.759 1.00 0.00 H new ATOM 0 HB3 LYS B 31 27.928 -1.382 33.723 1.00 0.00 H new ATOM 0 HG2 LYS B 31 28.167 1.064 33.184 1.00 0.00 H new ATOM 0 HG3 LYS B 31 26.698 0.995 32.232 1.00 0.00 H new ATOM 0 HD2 LYS B 31 25.410 0.271 34.257 1.00 0.00 H new ATOM 0 HD3 LYS B 31 26.878 0.314 35.213 1.00 0.00 H new ATOM 0 HE2 LYS B 31 27.145 2.758 34.687 1.00 0.00 H new ATOM 0 HE3 LYS B 31 25.671 2.713 33.741 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 25.241 3.488 35.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 24.449 2.010 35.727 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 25.877 2.054 36.644 1.00 0.00 H new ATOM 872 N LYS B 32 28.599 -3.155 30.281 1.00 0.00 N ATOM 873 CA LYS B 32 28.960 -4.550 30.054 1.00 0.00 C ATOM 874 C LYS B 32 28.118 -5.472 30.930 1.00 0.00 C ATOM 875 O LYS B 32 28.511 -5.704 32.061 1.00 0.00 O ATOM 876 CB LYS B 32 30.444 -4.761 30.361 1.00 0.00 C ATOM 877 CG LYS B 32 30.846 -6.186 29.984 1.00 0.00 C ATOM 878 CD LYS B 32 32.341 -6.381 30.243 1.00 0.00 C ATOM 879 CE LYS B 32 32.747 -7.801 29.849 1.00 0.00 C ATOM 880 NZ LYS B 32 34.207 -7.985 30.089 1.00 0.00 N ATOM 0 H LYS B 32 28.299 -2.653 29.445 1.00 0.00 H new ATOM 0 HA LYS B 32 28.769 -4.790 29.008 1.00 0.00 H new ATOM 0 HB2 LYS B 32 31.047 -4.043 29.805 1.00 0.00 H new ATOM 0 HB3 LYS B 32 30.636 -4.586 31.420 1.00 0.00 H new ATOM 0 HG2 LYS B 32 30.269 -6.904 30.566 1.00 0.00 H new ATOM 0 HG3 LYS B 32 30.621 -6.373 28.934 1.00 0.00 H new ATOM 0 HD2 LYS B 32 32.918 -5.655 29.670 1.00 0.00 H new ATOM 0 HD3 LYS B 32 32.564 -6.207 31.296 1.00 0.00 H new ATOM 0 HE2 LYS B 32 32.178 -8.528 30.429 1.00 0.00 H new ATOM 0 HE3 LYS B 32 32.515 -7.979 28.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 34.484 -8.951 29.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 34.742 -7.300 29.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 34.415 -7.832 31.096 1.00 0.00 H new TER 894 LYS B 32