USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 MET CE :methyl -149:sc= -0.157 (180deg=-0.764) USER MOD Single : A 20 THR OG1 : rot -12:sc= -1.1! USER MOD Single : A 21 MET CE :methyl 155:sc= -0.0234 (180deg=-0.159) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 153:sc= -0.125 (180deg=-1.06) 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+ -163:sc= -0.0185 (180deg=-0.316) USER MOD Single : B 5 LYS NZ :NH3+ 161:sc= -0.057 (180deg=-0.476) USER MOD Single : B 12 MET CE :methyl -152:sc= -0.183 (180deg=-0.734) USER MOD Single : B 20 THR OG1 : rot -6:sc= -0.956! USER MOD Single : B 21 MET CE :methyl 158:sc= -0.0253 (180deg=-0.156) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 154:sc= -0.188 (180deg=-1.09) 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+ -162:sc= -0.0132 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 7 6.365 4.129 -1.810 1.00 0.00 N ATOM 30 CA ALA A 7 6.687 5.191 -0.865 1.00 0.00 C ATOM 31 C ALA A 7 6.512 4.705 0.571 1.00 0.00 C ATOM 32 O ALA A 7 7.104 5.258 1.498 1.00 0.00 O ATOM 33 CB ALA A 7 5.781 6.400 -1.109 1.00 0.00 C ATOM 0 HA ALA A 7 7.727 5.479 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.028 7.189 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.929 6.767 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.739 6.107 -0.978 1.00 0.00 H new ATOM 39 N ILE A 8 5.693 3.673 0.748 1.00 0.00 N ATOM 40 CA ILE A 8 5.446 3.129 2.081 1.00 0.00 C ATOM 41 C ILE A 8 6.734 2.577 2.682 1.00 0.00 C ATOM 42 O ILE A 8 7.026 2.806 3.855 1.00 0.00 O ATOM 43 CB ILE A 8 4.405 2.011 2.002 1.00 0.00 C ATOM 44 CG1 ILE A 8 3.054 2.610 1.609 1.00 0.00 C ATOM 45 CG2 ILE A 8 4.279 1.321 3.369 1.00 0.00 C ATOM 46 CD1 ILE A 8 2.089 1.487 1.233 1.00 0.00 C ATOM 0 H ILE A 8 5.193 3.200 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 8 5.074 3.933 2.717 1.00 0.00 H new ATOM 0 HB ILE A 8 4.715 1.278 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.647 3.191 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.178 3.294 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.536 0.525 3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.242 0.897 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.969 2.050 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.126 1.914 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.495 0.925 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.957 0.821 2.085 1.00 0.00 H new ATOM 58 N ILE A 9 7.497 1.846 1.877 1.00 0.00 N ATOM 59 CA ILE A 9 8.742 1.268 2.363 1.00 0.00 C ATOM 60 C ILE A 9 9.636 2.381 2.920 1.00 0.00 C ATOM 61 O ILE A 9 10.386 2.182 3.871 1.00 0.00 O ATOM 62 CB ILE A 9 9.452 0.501 1.222 1.00 0.00 C ATOM 63 CG1 ILE A 9 10.318 -0.637 1.797 1.00 0.00 C ATOM 64 CG2 ILE A 9 10.356 1.445 0.425 1.00 0.00 C ATOM 65 CD1 ILE A 9 9.441 -1.732 2.429 1.00 0.00 C ATOM 0 H ILE A 9 7.280 1.642 0.901 1.00 0.00 H new ATOM 0 HA ILE A 9 8.530 0.559 3.163 1.00 0.00 H new ATOM 0 HB ILE A 9 8.684 0.087 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.930 -1.068 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.001 -0.236 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.848 0.890 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.755 2.246 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.109 1.873 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.077 -2.523 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.848 -1.302 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.776 -2.148 1.672 1.00 0.00 H new ATOM 77 N GLY A 10 9.536 3.549 2.292 1.00 0.00 N ATOM 78 CA GLY A 10 10.328 4.712 2.690 1.00 0.00 C ATOM 79 C GLY A 10 10.019 5.153 4.121 1.00 0.00 C ATOM 80 O GLY A 10 10.931 5.438 4.898 1.00 0.00 O ATOM 0 H GLY A 10 8.912 3.717 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.388 4.475 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.130 5.537 2.006 1.00 0.00 H new ATOM 84 N LEU A 11 8.734 5.214 4.467 1.00 0.00 N ATOM 85 CA LEU A 11 8.327 5.624 5.807 1.00 0.00 C ATOM 86 C LEU A 11 8.449 4.468 6.796 1.00 0.00 C ATOM 87 O LEU A 11 8.672 4.676 7.983 1.00 0.00 O ATOM 88 CB LEU A 11 6.884 6.132 5.770 1.00 0.00 C ATOM 89 CG LEU A 11 6.427 6.559 7.170 1.00 0.00 C ATOM 90 CD1 LEU A 11 7.363 7.638 7.742 1.00 0.00 C ATOM 91 CD2 LEU A 11 5.002 7.113 7.078 1.00 0.00 C ATOM 0 H LEU A 11 7.962 4.986 3.841 1.00 0.00 H new ATOM 0 HA LEU A 11 8.988 6.424 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.807 6.975 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.227 5.350 5.390 1.00 0.00 H new ATOM 0 HG LEU A 11 6.453 5.694 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.021 7.927 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.377 7.243 7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.356 8.510 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.666 7.420 8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.988 7.972 6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.336 6.341 6.692 1.00 0.00 H new ATOM 103 N MET A 12 8.285 3.253 6.296 1.00 0.00 N ATOM 104 CA MET A 12 8.366 2.074 7.121 1.00 0.00 C ATOM 105 C MET A 12 9.776 1.916 7.692 1.00 0.00 C ATOM 106 O MET A 12 9.977 1.970 8.905 1.00 0.00 O ATOM 107 CB MET A 12 7.996 0.901 6.224 1.00 0.00 C ATOM 108 CG MET A 12 8.248 -0.435 6.902 1.00 0.00 C ATOM 109 SD MET A 12 7.185 -0.613 8.365 1.00 0.00 S ATOM 110 CE MET A 12 8.466 -0.878 9.622 1.00 0.00 C ATOM 0 H MET A 12 8.093 3.065 5.312 1.00 0.00 H new ATOM 0 HA MET A 12 7.691 2.134 7.975 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.944 0.974 5.947 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.574 0.954 5.301 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.053 -1.248 6.202 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.295 -0.510 7.194 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.074 -1.520 10.411 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.333 -1.354 9.164 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.762 0.081 10.048 1.00 0.00 H new ATOM 120 N VAL A 13 10.749 1.720 6.809 1.00 0.00 N ATOM 121 CA VAL A 13 12.134 1.547 7.233 1.00 0.00 C ATOM 122 C VAL A 13 12.695 2.825 7.847 1.00 0.00 C ATOM 123 O VAL A 13 13.655 2.777 8.618 1.00 0.00 O ATOM 124 CB VAL A 13 12.997 1.111 6.047 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.303 -0.052 5.333 1.00 0.00 C ATOM 126 CG2 VAL A 13 13.197 2.284 5.075 1.00 0.00 C ATOM 0 H VAL A 13 10.606 1.677 5.800 1.00 0.00 H new ATOM 0 HA VAL A 13 12.154 0.771 7.999 1.00 0.00 H new ATOM 0 HB VAL A 13 13.976 0.792 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.909 -0.372 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.181 -0.884 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.324 0.271 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.813 1.960 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.228 2.620 4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.692 3.105 5.593 1.00 0.00 H new ATOM 136 N GLY A 14 12.097 3.966 7.519 1.00 0.00 N ATOM 137 CA GLY A 14 12.558 5.239 8.065 1.00 0.00 C ATOM 138 C GLY A 14 12.013 5.471 9.475 1.00 0.00 C ATOM 139 O GLY A 14 12.732 5.953 10.352 1.00 0.00 O ATOM 0 H GLY A 14 11.301 4.036 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.648 5.254 8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.241 6.053 7.412 1.00 0.00 H new ATOM 143 N GLY A 15 10.738 5.139 9.689 1.00 0.00 N ATOM 144 CA GLY A 15 10.132 5.338 10.994 1.00 0.00 C ATOM 145 C GLY A 15 10.952 4.633 12.058 1.00 0.00 C ATOM 146 O GLY A 15 11.347 5.236 13.052 1.00 0.00 O ATOM 0 H GLY A 15 10.119 4.738 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.070 6.403 11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.112 4.952 10.994 1.00 0.00 H new ATOM 150 N VAL A 16 11.184 3.343 11.855 1.00 0.00 N ATOM 151 CA VAL A 16 11.937 2.563 12.822 1.00 0.00 C ATOM 152 C VAL A 16 13.183 3.311 13.269 1.00 0.00 C ATOM 153 O VAL A 16 13.421 3.459 14.465 1.00 0.00 O ATOM 154 CB VAL A 16 12.307 1.195 12.235 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.062 0.302 12.194 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.849 1.365 10.813 1.00 0.00 C ATOM 0 H VAL A 16 10.865 2.821 11.039 1.00 0.00 H new ATOM 0 HA VAL A 16 11.307 2.404 13.698 1.00 0.00 H new ATOM 0 HB VAL A 16 13.072 0.736 12.861 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.325 -0.670 11.777 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.675 0.171 13.205 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.299 0.770 11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.109 0.389 10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.088 1.830 10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.736 1.997 10.835 1.00 0.00 H new ATOM 166 N VAL A 17 13.972 3.786 12.322 1.00 0.00 N ATOM 167 CA VAL A 17 15.186 4.510 12.667 1.00 0.00 C ATOM 168 C VAL A 17 14.866 5.741 13.512 1.00 0.00 C ATOM 169 O VAL A 17 15.542 6.018 14.499 1.00 0.00 O ATOM 170 CB VAL A 17 15.906 4.959 11.399 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.146 5.768 11.786 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.323 3.734 10.579 1.00 0.00 C ATOM 0 H VAL A 17 13.800 3.687 11.322 1.00 0.00 H new ATOM 0 HA VAL A 17 15.824 3.838 13.241 1.00 0.00 H new ATOM 0 HB VAL A 17 15.238 5.577 10.799 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.665 6.092 10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.845 6.641 12.365 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.813 5.148 12.385 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.837 4.059 9.674 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.992 3.110 11.172 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.437 3.160 10.307 1.00 0.00 H new ATOM 182 N ILE A 18 13.830 6.470 13.118 1.00 0.00 N ATOM 183 CA ILE A 18 13.447 7.666 13.865 1.00 0.00 C ATOM 184 C ILE A 18 13.054 7.279 15.290 1.00 0.00 C ATOM 185 O ILE A 18 13.505 7.887 16.260 1.00 0.00 O ATOM 186 CB ILE A 18 12.279 8.373 13.168 1.00 0.00 C ATOM 187 CG1 ILE A 18 12.754 8.915 11.817 1.00 0.00 C ATOM 188 CG2 ILE A 18 11.788 9.534 14.038 1.00 0.00 C ATOM 189 CD1 ILE A 18 11.550 9.386 10.999 1.00 0.00 C ATOM 0 H ILE A 18 13.250 6.263 12.305 1.00 0.00 H new ATOM 0 HA ILE A 18 14.295 8.350 13.902 1.00 0.00 H new ATOM 0 HB ILE A 18 11.463 7.667 13.016 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.448 9.741 11.969 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.295 8.141 11.273 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.958 10.035 13.541 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.455 9.151 15.003 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.601 10.244 14.191 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.891 9.771 10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.872 8.549 10.834 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.028 10.174 11.541 1.00 0.00 H new ATOM 201 N ALA A 19 12.196 6.273 15.396 1.00 0.00 N ATOM 202 CA ALA A 19 11.718 5.809 16.698 1.00 0.00 C ATOM 203 C ALA A 19 12.880 5.394 17.604 1.00 0.00 C ATOM 204 O ALA A 19 12.828 5.583 18.818 1.00 0.00 O ATOM 205 CB ALA A 19 10.766 4.624 16.514 1.00 0.00 C ATOM 0 H ALA A 19 11.816 5.762 14.600 1.00 0.00 H new ATOM 0 HA ALA A 19 11.191 6.636 17.174 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.415 4.285 17.488 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.914 4.933 15.908 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.291 3.810 16.014 1.00 0.00 H new ATOM 211 N THR A 20 13.931 4.840 17.008 1.00 0.00 N ATOM 212 CA THR A 20 15.105 4.412 17.777 1.00 0.00 C ATOM 213 C THR A 20 15.920 5.611 18.219 1.00 0.00 C ATOM 214 O THR A 20 16.696 5.526 19.169 1.00 0.00 O ATOM 215 CB THR A 20 16.007 3.511 16.915 1.00 0.00 C ATOM 216 OG1 THR A 20 16.596 4.299 15.893 1.00 0.00 O ATOM 217 CG2 THR A 20 15.214 2.374 16.252 1.00 0.00 C ATOM 0 H THR A 20 13.999 4.676 16.004 1.00 0.00 H new ATOM 0 HA THR A 20 14.749 3.864 18.650 1.00 0.00 H new ATOM 0 HB THR A 20 16.762 3.070 17.566 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.152 5.172 15.856 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.888 1.762 15.653 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.751 1.757 17.022 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.440 2.796 15.611 1.00 0.00 H new ATOM 225 N MET A 21 15.738 6.734 17.539 1.00 0.00 N ATOM 226 CA MET A 21 16.460 7.944 17.895 1.00 0.00 C ATOM 227 C MET A 21 15.776 8.655 19.054 1.00 0.00 C ATOM 228 O MET A 21 16.441 9.299 19.866 1.00 0.00 O ATOM 229 CB MET A 21 16.588 8.866 16.676 1.00 0.00 C ATOM 230 CG MET A 21 17.802 8.445 15.821 1.00 0.00 C ATOM 231 SD MET A 21 17.871 6.634 15.681 1.00 0.00 S ATOM 232 CE MET A 21 19.421 6.313 16.576 1.00 0.00 C ATOM 0 H MET A 21 15.103 6.831 16.746 1.00 0.00 H new ATOM 0 HA MET A 21 17.464 7.670 18.219 1.00 0.00 H new ATOM 0 HB2 MET A 21 15.678 8.820 16.078 1.00 0.00 H new ATOM 0 HB3 MET A 21 16.703 9.900 17.002 1.00 0.00 H new ATOM 0 HG2 MET A 21 17.730 8.892 14.829 1.00 0.00 H new ATOM 0 HG3 MET A 21 18.721 8.818 16.273 1.00 0.00 H new ATOM 0 HE1 MET A 21 19.408 5.298 16.974 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.264 6.424 15.895 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.521 7.024 17.396 1.00 0.00 H new ATOM 242 N ILE A 22 14.449 8.549 19.146 1.00 0.00 N ATOM 243 CA ILE A 22 13.736 9.200 20.232 1.00 0.00 C ATOM 244 C ILE A 22 14.170 8.624 21.579 1.00 0.00 C ATOM 245 O ILE A 22 14.464 9.370 22.507 1.00 0.00 O ATOM 246 CB ILE A 22 12.226 8.999 20.057 1.00 0.00 C ATOM 247 CG1 ILE A 22 11.752 9.743 18.801 1.00 0.00 C ATOM 248 CG2 ILE A 22 11.487 9.546 21.285 1.00 0.00 C ATOM 249 CD1 ILE A 22 10.313 9.341 18.464 1.00 0.00 C ATOM 0 H ILE A 22 13.862 8.029 18.494 1.00 0.00 H new ATOM 0 HA ILE A 22 13.970 10.264 20.210 1.00 0.00 H new ATOM 0 HB ILE A 22 12.014 7.935 19.952 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.809 10.819 18.963 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.409 9.512 17.962 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.414 9.402 21.158 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.821 9.016 22.177 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.700 10.609 21.394 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.986 9.874 17.571 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.268 8.267 18.282 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.659 9.595 19.298 1.00 0.00 H new ATOM 261 N VAL A 23 14.192 7.295 21.684 1.00 0.00 N ATOM 262 CA VAL A 23 14.577 6.644 22.940 1.00 0.00 C ATOM 263 C VAL A 23 16.018 6.967 23.294 1.00 0.00 C ATOM 264 O VAL A 23 16.370 7.082 24.463 1.00 0.00 O ATOM 265 CB VAL A 23 14.404 5.123 22.848 1.00 0.00 C ATOM 266 CG1 VAL A 23 12.913 4.762 22.719 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.177 4.586 21.637 1.00 0.00 C ATOM 0 H VAL A 23 13.952 6.655 20.927 1.00 0.00 H new ATOM 0 HA VAL A 23 13.921 7.027 23.722 1.00 0.00 H new ATOM 0 HB VAL A 23 14.797 4.668 23.757 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.805 3.679 22.655 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.373 5.129 23.592 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.504 5.222 21.819 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.051 3.505 21.575 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.794 5.048 20.727 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.235 4.823 21.747 1.00 0.00 H new ATOM 277 N ILE A 24 16.844 7.145 22.281 1.00 0.00 N ATOM 278 CA ILE A 24 18.239 7.493 22.519 1.00 0.00 C ATOM 279 C ILE A 24 18.293 8.681 23.492 1.00 0.00 C ATOM 280 O ILE A 24 19.316 8.931 24.130 1.00 0.00 O ATOM 281 CB ILE A 24 18.934 7.801 21.160 1.00 0.00 C ATOM 282 CG1 ILE A 24 19.948 6.692 20.809 1.00 0.00 C ATOM 283 CG2 ILE A 24 19.667 9.149 21.183 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.256 5.317 20.725 1.00 0.00 C ATOM 0 H ILE A 24 16.583 7.057 21.299 1.00 0.00 H new ATOM 0 HA ILE A 24 18.778 6.663 22.976 1.00 0.00 H new ATOM 0 HB ILE A 24 18.148 7.844 20.406 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.427 6.921 19.857 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.735 6.662 21.563 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.137 9.324 20.215 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.954 9.947 21.390 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.431 9.135 21.960 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.993 4.553 20.476 1.00 0.00 H new ATOM 0 HD12 ILE A 24 18.799 5.081 21.686 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.486 5.343 19.953 1.00 0.00 H new ATOM 296 N THR A 25 17.170 9.396 23.608 1.00 0.00 N ATOM 297 CA THR A 25 17.092 10.534 24.520 1.00 0.00 C ATOM 298 C THR A 25 16.996 10.050 25.967 1.00 0.00 C ATOM 299 O THR A 25 17.634 10.605 26.862 1.00 0.00 O ATOM 300 CB THR A 25 15.904 11.445 24.159 1.00 0.00 C ATOM 301 OG1 THR A 25 16.197 12.768 24.588 1.00 0.00 O ATOM 302 CG2 THR A 25 14.606 10.971 24.827 1.00 0.00 C ATOM 0 H THR A 25 16.313 9.208 23.087 1.00 0.00 H new ATOM 0 HA THR A 25 18.004 11.123 24.418 1.00 0.00 H new ATOM 0 HB THR A 25 15.757 11.411 23.079 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.448 13.359 24.362 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.790 11.638 24.550 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.376 9.958 24.497 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.730 10.980 25.910 1.00 0.00 H new ATOM 310 N LEU A 26 16.190 9.012 26.191 1.00 0.00 N ATOM 311 CA LEU A 26 15.997 8.444 27.520 1.00 0.00 C ATOM 312 C LEU A 26 17.341 8.023 28.122 1.00 0.00 C ATOM 313 O LEU A 26 17.550 8.100 29.329 1.00 0.00 O ATOM 314 CB LEU A 26 15.017 7.265 27.337 1.00 0.00 C ATOM 315 CG LEU A 26 14.952 6.304 28.535 1.00 0.00 C ATOM 316 CD1 LEU A 26 16.223 5.439 28.636 1.00 0.00 C ATOM 317 CD2 LEU A 26 14.696 7.080 29.838 1.00 0.00 C ATOM 0 H LEU A 26 15.656 8.545 25.458 1.00 0.00 H new ATOM 0 HA LEU A 26 15.581 9.163 28.226 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.019 7.663 27.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.306 6.702 26.450 1.00 0.00 H new ATOM 0 HG LEU A 26 14.114 5.625 28.376 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.142 4.772 29.494 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.334 4.849 27.727 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.093 6.084 28.759 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.653 6.382 30.674 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.504 7.793 30.001 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.749 7.615 29.763 1.00 0.00 H new ATOM 329 N VAL A 27 18.273 7.647 27.267 1.00 0.00 N ATOM 330 CA VAL A 27 19.613 7.284 27.732 1.00 0.00 C ATOM 331 C VAL A 27 20.296 8.509 28.346 1.00 0.00 C ATOM 332 O VAL A 27 20.878 8.443 29.430 1.00 0.00 O ATOM 333 CB VAL A 27 20.444 6.773 26.554 1.00 0.00 C ATOM 334 CG1 VAL A 27 21.754 6.160 27.059 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.646 5.716 25.793 1.00 0.00 C ATOM 0 H VAL A 27 18.138 7.583 26.258 1.00 0.00 H new ATOM 0 HA VAL A 27 19.532 6.501 28.486 1.00 0.00 H new ATOM 0 HB VAL A 27 20.676 7.607 25.892 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.337 5.800 26.212 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.325 6.916 27.598 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.532 5.328 27.727 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.236 5.350 24.953 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.412 4.887 26.460 1.00 0.00 H new ATOM 0 HG23 VAL A 27 18.720 6.156 25.422 1.00 0.00 H new ATOM 345 N MET A 28 20.201 9.623 27.629 1.00 0.00 N ATOM 346 CA MET A 28 20.787 10.888 28.074 1.00 0.00 C ATOM 347 C MET A 28 20.024 11.455 29.270 1.00 0.00 C ATOM 348 O MET A 28 20.612 12.084 30.150 1.00 0.00 O ATOM 349 CB MET A 28 20.793 11.904 26.924 1.00 0.00 C ATOM 350 CG MET A 28 21.930 11.578 25.951 1.00 0.00 C ATOM 351 SD MET A 28 21.888 12.735 24.557 1.00 0.00 S ATOM 352 CE MET A 28 22.327 14.237 25.472 1.00 0.00 C ATOM 0 H MET A 28 19.721 9.678 26.731 1.00 0.00 H new ATOM 0 HA MET A 28 21.814 10.695 28.384 1.00 0.00 H new ATOM 0 HB2 MET A 28 19.837 11.881 26.401 1.00 0.00 H new ATOM 0 HB3 MET A 28 20.917 12.913 27.318 1.00 0.00 H new ATOM 0 HG2 MET A 28 22.890 11.644 26.463 1.00 0.00 H new ATOM 0 HG3 MET A 28 21.831 10.554 25.590 1.00 0.00 H new ATOM 0 HE1 MET A 28 22.815 14.943 24.800 1.00 0.00 H new ATOM 0 HE2 MET A 28 21.424 14.691 25.881 1.00 0.00 H new ATOM 0 HE3 MET A 28 23.006 13.982 26.286 1.00 0.00 H new ATOM 362 N LEU A 29 18.713 11.232 29.294 1.00 0.00 N ATOM 363 CA LEU A 29 17.879 11.730 30.386 1.00 0.00 C ATOM 364 C LEU A 29 17.948 10.785 31.577 1.00 0.00 C ATOM 365 O LEU A 29 17.363 11.049 32.628 1.00 0.00 O ATOM 366 CB LEU A 29 16.424 11.861 29.928 1.00 0.00 C ATOM 367 CG LEU A 29 16.323 12.870 28.776 1.00 0.00 C ATOM 368 CD1 LEU A 29 14.885 12.890 28.244 1.00 0.00 C ATOM 369 CD2 LEU A 29 16.713 14.278 29.272 1.00 0.00 C ATOM 0 H LEU A 29 18.207 10.714 28.576 1.00 0.00 H new ATOM 0 HA LEU A 29 18.253 12.710 30.681 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.047 10.890 29.606 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.800 12.185 30.761 1.00 0.00 H new ATOM 0 HG LEU A 29 17.004 12.575 27.978 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.810 13.606 27.425 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.617 11.897 27.883 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.205 13.181 29.044 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.639 14.988 28.448 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.039 14.581 30.074 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.737 14.262 29.645 1.00 0.00 H new ATOM 381 N LYS A 30 18.671 9.683 31.411 1.00 0.00 N ATOM 382 CA LYS A 30 18.811 8.712 32.484 1.00 0.00 C ATOM 383 C LYS A 30 19.487 9.360 33.687 1.00 0.00 C ATOM 384 O LYS A 30 19.142 9.077 34.834 1.00 0.00 O ATOM 385 CB LYS A 30 19.640 7.510 32.011 1.00 0.00 C ATOM 386 CG LYS A 30 19.403 6.320 32.945 1.00 0.00 C ATOM 387 CD LYS A 30 20.151 5.096 32.414 1.00 0.00 C ATOM 388 CE LYS A 30 19.911 3.907 33.345 1.00 0.00 C ATOM 389 NZ LYS A 30 20.630 2.712 32.818 1.00 0.00 N ATOM 0 H LYS A 30 19.164 9.443 30.551 1.00 0.00 H new ATOM 0 HA LYS A 30 17.818 8.365 32.772 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.364 7.244 30.991 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.699 7.769 31.997 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.746 6.560 33.951 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.337 6.106 33.014 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.810 4.857 31.407 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.218 5.309 32.347 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.261 4.142 34.350 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.844 3.699 33.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.468 1.902 33.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.276 2.485 31.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.649 2.914 32.769 1.00 0.00 H new ATOM 403 N LYS A 31 20.454 10.235 33.414 1.00 0.00 N ATOM 404 CA LYS A 31 21.178 10.926 34.482 1.00 0.00 C ATOM 405 C LYS A 31 20.483 12.242 34.827 1.00 0.00 C ATOM 406 O LYS A 31 21.101 13.158 35.368 1.00 0.00 O ATOM 407 CB LYS A 31 22.617 11.218 34.042 1.00 0.00 C ATOM 408 CG LYS A 31 23.291 9.948 33.493 1.00 0.00 C ATOM 409 CD LYS A 31 23.440 8.887 34.590 1.00 0.00 C ATOM 410 CE LYS A 31 24.242 7.705 34.043 1.00 0.00 C ATOM 411 NZ LYS A 31 24.456 6.706 35.127 1.00 0.00 N ATOM 0 H LYS A 31 20.753 10.481 32.470 1.00 0.00 H new ATOM 0 HA LYS A 31 21.190 10.282 35.361 1.00 0.00 H new ATOM 0 HB2 LYS A 31 22.617 11.995 33.277 1.00 0.00 H new ATOM 0 HB3 LYS A 31 23.189 11.602 34.887 1.00 0.00 H new ATOM 0 HG2 LYS A 31 22.700 9.545 32.670 1.00 0.00 H new ATOM 0 HG3 LYS A 31 24.272 10.198 33.089 1.00 0.00 H new ATOM 0 HD2 LYS A 31 23.944 9.313 35.458 1.00 0.00 H new ATOM 0 HD3 LYS A 31 22.458 8.552 34.924 1.00 0.00 H new ATOM 0 HE2 LYS A 31 23.710 7.245 33.210 1.00 0.00 H new ATOM 0 HE3 LYS A 31 25.201 8.050 33.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 25.001 5.902 34.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 24.981 7.149 35.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 23.536 6.369 35.475 1.00 0.00 H new ATOM 425 N LYS A 32 19.192 12.322 34.519 1.00 0.00 N ATOM 426 CA LYS A 32 18.421 13.525 34.813 1.00 0.00 C ATOM 427 C LYS A 32 18.167 13.640 36.313 1.00 0.00 C ATOM 428 O LYS A 32 18.569 14.639 36.888 1.00 0.00 O ATOM 429 CB LYS A 32 17.086 13.488 34.067 1.00 0.00 C ATOM 430 CG LYS A 32 16.326 14.794 34.312 1.00 0.00 C ATOM 431 CD LYS A 32 15.033 14.794 33.495 1.00 0.00 C ATOM 432 CE LYS A 32 14.290 16.113 33.715 1.00 0.00 C ATOM 433 NZ LYS A 32 13.809 16.182 35.124 1.00 0.00 N ATOM 0 H LYS A 32 18.662 11.575 34.070 1.00 0.00 H new ATOM 0 HA LYS A 32 18.993 14.392 34.483 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.258 13.350 33.000 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.491 12.640 34.406 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.098 14.901 35.373 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.946 15.646 34.032 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.259 14.664 32.437 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.403 13.956 33.792 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.950 16.954 33.503 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.447 16.187 33.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.075 16.914 35.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.412 15.262 35.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.604 16.418 35.751 1.00 0.00 H new ATOM 448 N LYS B 5 -4.821 -2.484 2.364 1.00 0.00 N ATOM 449 CA LYS B 5 -3.948 -3.368 3.189 1.00 0.00 C ATOM 450 C LYS B 5 -3.736 -2.732 4.560 1.00 0.00 C ATOM 451 O LYS B 5 -2.675 -2.177 4.842 1.00 0.00 O ATOM 452 CB LYS B 5 -2.605 -3.555 2.481 1.00 0.00 C ATOM 453 CG LYS B 5 -2.810 -4.364 1.197 1.00 0.00 C ATOM 454 CD LYS B 5 -1.466 -4.556 0.494 1.00 0.00 C ATOM 455 CE LYS B 5 -1.661 -5.409 -0.762 1.00 0.00 C ATOM 456 NZ LYS B 5 -2.535 -4.681 -1.726 1.00 0.00 N ATOM 0 HA LYS B 5 -4.421 -4.341 3.318 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -2.168 -2.584 2.246 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -1.904 -4.069 3.139 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -3.251 -5.333 1.432 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -3.507 -3.848 0.537 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -1.043 -3.588 0.226 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -0.758 -5.039 1.167 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -0.696 -5.625 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -2.111 -6.366 -0.498 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.414 -5.084 -2.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -3.529 -4.775 -1.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -2.273 -3.675 -1.741 1.00 0.00 H new ATOM 469 N GLY B 6 -4.757 -2.820 5.408 1.00 0.00 N ATOM 470 CA GLY B 6 -4.685 -2.254 6.751 1.00 0.00 C ATOM 471 C GLY B 6 -3.619 -2.955 7.585 1.00 0.00 C ATOM 472 O GLY B 6 -3.067 -2.373 8.517 1.00 0.00 O ATOM 0 H GLY B 6 -5.642 -3.277 5.189 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.461 -1.189 6.689 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.654 -2.347 7.241 1.00 0.00 H new ATOM 476 N ALA B 7 -3.339 -4.207 7.249 1.00 0.00 N ATOM 477 CA ALA B 7 -2.342 -4.978 7.983 1.00 0.00 C ATOM 478 C ALA B 7 -1.011 -4.234 8.025 1.00 0.00 C ATOM 479 O ALA B 7 -0.183 -4.474 8.906 1.00 0.00 O ATOM 480 CB ALA B 7 -2.144 -6.341 7.318 1.00 0.00 C ATOM 0 H ALA B 7 -3.783 -4.708 6.480 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.699 -5.118 9.003 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.398 -6.911 7.872 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.088 -6.885 7.316 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.804 -6.199 6.292 1.00 0.00 H new ATOM 486 N ILE B 8 -0.806 -3.334 7.067 1.00 0.00 N ATOM 487 CA ILE B 8 0.435 -2.568 7.007 1.00 0.00 C ATOM 488 C ILE B 8 0.591 -1.700 8.251 1.00 0.00 C ATOM 489 O ILE B 8 1.673 -1.624 8.832 1.00 0.00 O ATOM 490 CB ILE B 8 0.438 -1.676 5.765 1.00 0.00 C ATOM 491 CG1 ILE B 8 0.505 -2.557 4.517 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.657 -0.743 5.798 1.00 0.00 C ATOM 493 CD1 ILE B 8 0.204 -1.712 3.280 1.00 0.00 C ATOM 0 H ILE B 8 -1.476 -3.119 6.329 1.00 0.00 H new ATOM 0 HA ILE B 8 1.268 -3.269 6.957 1.00 0.00 H new ATOM 0 HB ILE B 8 -0.471 -1.075 5.746 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.493 -3.009 4.430 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -0.213 -3.373 4.596 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.655 -0.110 4.911 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.613 -0.118 6.690 1.00 0.00 H new ATOM 0 HG23 ILE B 8 2.570 -1.338 5.816 1.00 0.00 H new ATOM 0 HD11 ILE B 8 0.252 -2.340 2.390 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.794 -1.282 3.367 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.939 -0.911 3.199 1.00 0.00 H new ATOM 505 N ILE B 9 -0.491 -1.041 8.653 1.00 0.00 N ATOM 506 CA ILE B 9 -0.440 -0.179 9.824 1.00 0.00 C ATOM 507 C ILE B 9 0.050 -0.989 11.030 1.00 0.00 C ATOM 508 O ILE B 9 0.733 -0.473 11.911 1.00 0.00 O ATOM 509 CB ILE B 9 -1.835 0.435 10.094 1.00 0.00 C ATOM 510 CG1 ILE B 9 -1.695 1.795 10.806 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.665 -0.495 10.980 1.00 0.00 C ATOM 512 CD1 ILE B 9 -1.053 2.841 9.878 1.00 0.00 C ATOM 0 H ILE B 9 -1.400 -1.087 8.192 1.00 0.00 H new ATOM 0 HA ILE B 9 0.257 0.640 9.647 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.333 0.571 9.134 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.676 2.143 11.128 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.088 1.679 11.704 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.643 -0.049 11.160 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.791 -1.456 10.481 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -2.153 -0.644 11.931 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.966 3.791 10.405 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.062 2.501 9.577 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.675 2.973 8.993 1.00 0.00 H new ATOM 524 N GLY B 10 -0.328 -2.262 11.042 1.00 0.00 N ATOM 525 CA GLY B 10 0.045 -3.170 12.125 1.00 0.00 C ATOM 526 C GLY B 10 1.561 -3.342 12.234 1.00 0.00 C ATOM 527 O GLY B 10 2.117 -3.302 13.332 1.00 0.00 O ATOM 0 H GLY B 10 -0.895 -2.692 10.311 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.345 -2.788 13.068 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.419 -4.142 11.959 1.00 0.00 H new ATOM 531 N LEU B 11 2.226 -3.538 11.097 1.00 0.00 N ATOM 532 CA LEU B 11 3.674 -3.715 11.084 1.00 0.00 C ATOM 533 C LEU B 11 4.393 -2.372 11.173 1.00 0.00 C ATOM 534 O LEU B 11 5.504 -2.286 11.685 1.00 0.00 O ATOM 535 CB LEU B 11 4.087 -4.448 9.804 1.00 0.00 C ATOM 536 CG LEU B 11 5.608 -4.636 9.761 1.00 0.00 C ATOM 537 CD1 LEU B 11 6.097 -5.402 11.003 1.00 0.00 C ATOM 538 CD2 LEU B 11 5.974 -5.422 8.498 1.00 0.00 C ATOM 0 H LEU B 11 1.786 -3.578 10.177 1.00 0.00 H new ATOM 0 HA LEU B 11 3.959 -4.307 11.954 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.593 -5.419 9.758 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.760 -3.882 8.932 1.00 0.00 H new ATOM 0 HG LEU B 11 6.088 -3.657 9.749 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.179 -5.524 10.952 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.837 -4.842 11.901 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.622 -6.383 11.036 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.054 -5.562 8.457 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.483 -6.395 8.520 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.646 -4.869 7.618 1.00 0.00 H new ATOM 550 N MET B 12 3.755 -1.335 10.655 1.00 0.00 N ATOM 551 CA MET B 12 4.324 -0.011 10.666 1.00 0.00 C ATOM 552 C MET B 12 4.485 0.492 12.101 1.00 0.00 C ATOM 553 O MET B 12 5.599 0.730 12.565 1.00 0.00 O ATOM 554 CB MET B 12 3.368 0.871 9.874 1.00 0.00 C ATOM 555 CG MET B 12 3.727 2.342 9.981 1.00 0.00 C ATOM 556 SD MET B 12 5.360 2.651 9.246 1.00 0.00 S ATOM 557 CE MET B 12 6.191 3.381 10.683 1.00 0.00 C ATOM 0 H MET B 12 2.835 -1.393 10.219 1.00 0.00 H new ATOM 0 HA MET B 12 5.319 0.000 10.221 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.382 0.570 8.826 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.351 0.719 10.236 1.00 0.00 H new ATOM 0 HG2 MET B 12 2.973 2.945 9.474 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.728 2.647 11.027 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.971 4.063 10.345 1.00 0.00 H new ATOM 0 HE2 MET B 12 5.465 3.929 11.284 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.637 2.590 11.286 1.00 0.00 H new ATOM 567 N VAL B 13 3.366 0.653 12.796 1.00 0.00 N ATOM 568 CA VAL B 13 3.391 1.135 14.173 1.00 0.00 C ATOM 569 C VAL B 13 4.048 0.125 15.107 1.00 0.00 C ATOM 570 O VAL B 13 4.532 0.491 16.180 1.00 0.00 O ATOM 571 CB VAL B 13 1.970 1.445 14.647 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.271 2.302 13.589 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.189 0.140 14.872 1.00 0.00 C ATOM 0 H VAL B 13 2.433 0.458 12.432 1.00 0.00 H new ATOM 0 HA VAL B 13 3.986 2.048 14.197 1.00 0.00 H new ATOM 0 HB VAL B 13 2.010 1.988 15.591 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.257 2.529 13.917 1.00 0.00 H new ATOM 0 HG12 VAL B 13 1.824 3.231 13.450 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.234 1.757 12.646 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.179 0.374 15.209 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.139 -0.420 13.938 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.694 -0.461 15.628 1.00 0.00 H new ATOM 583 N GLY B 14 4.075 -1.141 14.705 1.00 0.00 N ATOM 584 CA GLY B 14 4.691 -2.177 15.529 1.00 0.00 C ATOM 585 C GLY B 14 6.211 -2.192 15.362 1.00 0.00 C ATOM 586 O GLY B 14 6.946 -2.354 16.336 1.00 0.00 O ATOM 0 H GLY B 14 3.683 -1.473 13.824 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.440 -2.008 16.576 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.284 -3.151 15.257 1.00 0.00 H new ATOM 590 N GLY B 15 6.680 -2.033 14.123 1.00 0.00 N ATOM 591 CA GLY B 15 8.111 -2.047 13.867 1.00 0.00 C ATOM 592 C GLY B 15 8.801 -1.010 14.733 1.00 0.00 C ATOM 593 O GLY B 15 9.749 -1.318 15.451 1.00 0.00 O ATOM 0 H GLY B 15 6.097 -1.896 13.297 1.00 0.00 H new ATOM 0 HA2 GLY B 15 8.517 -3.037 14.076 1.00 0.00 H new ATOM 0 HA3 GLY B 15 8.303 -1.840 12.814 1.00 0.00 H new ATOM 597 N VAL B 16 8.335 0.228 14.643 1.00 0.00 N ATOM 598 CA VAL B 16 8.936 1.305 15.409 1.00 0.00 C ATOM 599 C VAL B 16 9.171 0.882 16.849 1.00 0.00 C ATOM 600 O VAL B 16 10.275 1.031 17.367 1.00 0.00 O ATOM 601 CB VAL B 16 8.055 2.560 15.348 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.179 3.207 13.965 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.591 2.185 15.595 1.00 0.00 C ATOM 0 H VAL B 16 7.551 0.507 14.053 1.00 0.00 H new ATOM 0 HA VAL B 16 9.904 1.540 14.967 1.00 0.00 H new ATOM 0 HB VAL B 16 8.384 3.260 16.116 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.553 4.098 13.923 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.218 3.484 13.785 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.855 2.499 13.202 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.973 3.082 15.550 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.262 1.479 14.832 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.494 1.727 16.579 1.00 0.00 H new ATOM 613 N VAL B 17 8.149 0.352 17.495 1.00 0.00 N ATOM 614 CA VAL B 17 8.291 -0.075 18.879 1.00 0.00 C ATOM 615 C VAL B 17 9.382 -1.134 19.013 1.00 0.00 C ATOM 616 O VAL B 17 10.197 -1.083 19.929 1.00 0.00 O ATOM 617 CB VAL B 17 6.975 -0.657 19.383 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.164 -1.154 20.819 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.884 0.418 19.348 1.00 0.00 C ATOM 0 H VAL B 17 7.223 0.207 17.093 1.00 0.00 H new ATOM 0 HA VAL B 17 8.565 0.797 19.473 1.00 0.00 H new ATOM 0 HB VAL B 17 6.675 -1.487 18.744 1.00 0.00 H new ATOM 0 HG11 VAL B 17 6.226 -1.572 21.186 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.936 -1.923 20.839 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.464 -0.322 21.456 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.946 -0.004 19.709 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.176 1.253 19.985 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.753 0.770 18.325 1.00 0.00 H new ATOM 629 N ILE B 18 9.390 -2.089 18.093 1.00 0.00 N ATOM 630 CA ILE B 18 10.397 -3.146 18.137 1.00 0.00 C ATOM 631 C ILE B 18 11.790 -2.536 17.990 1.00 0.00 C ATOM 632 O ILE B 18 12.703 -2.844 18.757 1.00 0.00 O ATOM 633 CB ILE B 18 10.146 -4.165 17.020 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.829 -4.896 17.294 1.00 0.00 C ATOM 635 CG2 ILE B 18 11.292 -5.180 16.983 1.00 0.00 C ATOM 636 CD1 ILE B 18 8.432 -5.719 16.067 1.00 0.00 C ATOM 0 H ILE B 18 8.726 -2.156 17.321 1.00 0.00 H new ATOM 0 HA ILE B 18 10.331 -3.660 19.096 1.00 0.00 H new ATOM 0 HB ILE B 18 10.090 -3.649 16.061 1.00 0.00 H new ATOM 0 HG12 ILE B 18 8.937 -5.547 18.161 1.00 0.00 H new ATOM 0 HG13 ILE B 18 8.045 -4.177 17.531 1.00 0.00 H new ATOM 0 HG21 ILE B 18 11.112 -5.904 16.188 1.00 0.00 H new ATOM 0 HG22 ILE B 18 12.232 -4.661 16.795 1.00 0.00 H new ATOM 0 HG23 ILE B 18 11.349 -5.699 17.940 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.494 -6.238 16.265 1.00 0.00 H new ATOM 0 HD12 ILE B 18 8.306 -5.057 15.210 1.00 0.00 H new ATOM 0 HD13 ILE B 18 9.212 -6.449 15.850 1.00 0.00 H new ATOM 648 N ALA B 19 11.941 -1.682 16.985 1.00 0.00 N ATOM 649 CA ALA B 19 13.226 -1.037 16.714 1.00 0.00 C ATOM 650 C ALA B 19 13.726 -0.257 17.933 1.00 0.00 C ATOM 651 O ALA B 19 14.927 -0.193 18.186 1.00 0.00 O ATOM 652 CB ALA B 19 13.093 -0.090 15.520 1.00 0.00 C ATOM 0 H ALA B 19 11.193 -1.418 16.344 1.00 0.00 H new ATOM 0 HA ALA B 19 13.951 -1.818 16.486 1.00 0.00 H new ATOM 0 HB1 ALA B 19 14.054 0.386 15.325 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.782 -0.654 14.641 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.348 0.674 15.743 1.00 0.00 H new ATOM 658 N THR B 20 12.799 0.322 18.690 1.00 0.00 N ATOM 659 CA THR B 20 13.164 1.089 19.885 1.00 0.00 C ATOM 660 C THR B 20 13.580 0.160 21.009 1.00 0.00 C ATOM 661 O THR B 20 14.274 0.570 21.938 1.00 0.00 O ATOM 662 CB THR B 20 11.966 1.922 20.371 1.00 0.00 C ATOM 663 OG1 THR B 20 10.973 1.043 20.877 1.00 0.00 O ATOM 664 CG2 THR B 20 11.344 2.749 19.234 1.00 0.00 C ATOM 0 H THR B 20 11.797 0.278 18.503 1.00 0.00 H new ATOM 0 HA THR B 20 13.994 1.743 19.618 1.00 0.00 H new ATOM 0 HB THR B 20 12.324 2.607 21.140 1.00 0.00 H new ATOM 0 HG1 THR B 20 11.243 0.115 20.712 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.501 3.322 19.620 1.00 0.00 H new ATOM 0 HG22 THR B 20 12.092 3.431 18.829 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.997 2.081 18.446 1.00 0.00 H new ATOM 672 N MET B 21 13.164 -1.095 20.924 1.00 0.00 N ATOM 673 CA MET B 21 13.522 -2.068 21.942 1.00 0.00 C ATOM 674 C MET B 21 14.919 -2.620 21.689 1.00 0.00 C ATOM 675 O MET B 21 15.630 -2.962 22.634 1.00 0.00 O ATOM 676 CB MET B 21 12.482 -3.194 21.993 1.00 0.00 C ATOM 677 CG MET B 21 11.289 -2.772 22.878 1.00 0.00 C ATOM 678 SD MET B 21 10.837 -1.045 22.534 1.00 0.00 S ATOM 679 CE MET B 21 11.243 -0.294 24.139 1.00 0.00 C ATOM 0 H MET B 21 12.584 -1.460 20.168 1.00 0.00 H new ATOM 0 HA MET B 21 13.531 -1.571 22.912 1.00 0.00 H new ATOM 0 HB2 MET B 21 12.135 -3.425 20.986 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.936 -4.102 22.390 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.436 -3.424 22.688 1.00 0.00 H new ATOM 0 HG3 MET B 21 11.549 -2.885 23.931 1.00 0.00 H new ATOM 0 HE1 MET B 21 11.405 0.776 24.009 1.00 0.00 H new ATOM 0 HE2 MET B 21 10.419 -0.454 24.835 1.00 0.00 H new ATOM 0 HE3 MET B 21 12.148 -0.753 24.537 1.00 0.00 H new ATOM 689 N ILE B 22 15.325 -2.714 20.422 1.00 0.00 N ATOM 690 CA ILE B 22 16.648 -3.228 20.113 1.00 0.00 C ATOM 691 C ILE B 22 17.726 -2.317 20.698 1.00 0.00 C ATOM 692 O ILE B 22 18.660 -2.790 21.336 1.00 0.00 O ATOM 693 CB ILE B 22 16.829 -3.315 18.592 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.877 -4.376 18.024 1.00 0.00 C ATOM 695 CG2 ILE B 22 18.277 -3.703 18.269 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.851 -4.294 16.495 1.00 0.00 C ATOM 0 H ILE B 22 14.766 -2.446 19.612 1.00 0.00 H new ATOM 0 HA ILE B 22 16.745 -4.221 20.553 1.00 0.00 H new ATOM 0 HB ILE B 22 16.604 -2.347 18.144 1.00 0.00 H new ATOM 0 HG12 ILE B 22 16.198 -5.369 18.337 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.873 -4.225 18.421 1.00 0.00 H new ATOM 0 HG21 ILE B 22 18.405 -3.765 17.188 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.954 -2.950 18.672 1.00 0.00 H new ATOM 0 HG23 ILE B 22 18.503 -4.671 18.717 1.00 0.00 H new ATOM 0 HD11 ILE B 22 15.173 -5.051 16.102 1.00 0.00 H new ATOM 0 HD12 ILE B 22 15.508 -3.305 16.189 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.854 -4.467 16.104 1.00 0.00 H new ATOM 708 N VAL B 23 17.598 -1.009 20.464 1.00 0.00 N ATOM 709 CA VAL B 23 18.589 -0.054 20.969 1.00 0.00 C ATOM 710 C VAL B 23 18.615 -0.055 22.487 1.00 0.00 C ATOM 711 O VAL B 23 19.660 0.138 23.100 1.00 0.00 O ATOM 712 CB VAL B 23 18.291 1.365 20.465 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.484 1.441 18.941 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.853 1.751 20.829 1.00 0.00 C ATOM 0 H VAL B 23 16.831 -0.591 19.937 1.00 0.00 H new ATOM 0 HA VAL B 23 19.564 -0.365 20.595 1.00 0.00 H new ATOM 0 HB VAL B 23 18.982 2.061 20.940 1.00 0.00 H new ATOM 0 HG11 VAL B 23 18.269 2.453 18.597 1.00 0.00 H new ATOM 0 HG12 VAL B 23 19.513 1.184 18.691 1.00 0.00 H new ATOM 0 HG13 VAL B 23 17.806 0.741 18.453 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.645 2.759 20.470 1.00 0.00 H new ATOM 0 HG22 VAL B 23 16.159 1.050 20.365 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.731 1.719 21.912 1.00 0.00 H new ATOM 724 N ILE B 24 17.471 -0.307 23.092 1.00 0.00 N ATOM 725 CA ILE B 24 17.403 -0.366 24.547 1.00 0.00 C ATOM 726 C ILE B 24 18.515 -1.296 25.057 1.00 0.00 C ATOM 727 O ILE B 24 18.906 -1.234 26.223 1.00 0.00 O ATOM 728 CB ILE B 24 15.984 -0.838 24.980 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.208 0.322 25.639 1.00 0.00 C ATOM 730 CG2 ILE B 24 16.045 -2.012 25.965 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.074 1.518 24.673 1.00 0.00 C ATOM 0 H ILE B 24 16.586 -0.472 22.612 1.00 0.00 H new ATOM 0 HA ILE B 24 17.563 0.618 24.987 1.00 0.00 H new ATOM 0 HB ILE B 24 15.472 -1.168 24.076 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.218 -0.022 25.937 1.00 0.00 H new ATOM 0 HG13 ILE B 24 15.722 0.639 26.546 1.00 0.00 H new ATOM 0 HG21 ILE B 24 15.033 -2.309 26.240 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.555 -2.854 25.497 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.590 -1.709 26.859 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.523 2.321 25.163 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.066 1.875 24.396 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.538 1.204 23.777 1.00 0.00 H new ATOM 743 N THR B 25 19.028 -2.144 24.162 1.00 0.00 N ATOM 744 CA THR B 25 20.107 -3.061 24.522 1.00 0.00 C ATOM 745 C THR B 25 21.430 -2.303 24.642 1.00 0.00 C ATOM 746 O THR B 25 22.214 -2.546 25.561 1.00 0.00 O ATOM 747 CB THR B 25 20.216 -4.208 23.502 1.00 0.00 C ATOM 748 OG1 THR B 25 20.771 -5.344 24.149 1.00 0.00 O ATOM 749 CG2 THR B 25 21.101 -3.822 22.309 1.00 0.00 C ATOM 0 H THR B 25 18.716 -2.213 23.193 1.00 0.00 H new ATOM 0 HA THR B 25 19.877 -3.502 25.492 1.00 0.00 H new ATOM 0 HB THR B 25 19.218 -4.427 23.122 1.00 0.00 H new ATOM 0 HG1 THR B 25 20.844 -6.082 23.509 1.00 0.00 H new ATOM 0 HG21 THR B 25 21.154 -4.657 21.610 1.00 0.00 H new ATOM 0 HG22 THR B 25 20.675 -2.954 21.806 1.00 0.00 H new ATOM 0 HG23 THR B 25 22.103 -3.580 22.663 1.00 0.00 H new ATOM 757 N LEU B 26 21.675 -1.386 23.707 1.00 0.00 N ATOM 758 CA LEU B 26 22.895 -0.589 23.693 1.00 0.00 C ATOM 759 C LEU B 26 23.059 0.163 25.017 1.00 0.00 C ATOM 760 O LEU B 26 24.169 0.379 25.494 1.00 0.00 O ATOM 761 CB LEU B 26 22.772 0.349 22.473 1.00 0.00 C ATOM 762 CG LEU B 26 23.770 1.519 22.468 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.399 2.581 23.521 1.00 0.00 C ATOM 764 CD2 LEU B 26 25.205 1.005 22.670 1.00 0.00 C ATOM 0 H LEU B 26 21.034 -1.177 22.941 1.00 0.00 H new ATOM 0 HA LEU B 26 23.792 -1.201 23.600 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.913 -0.236 21.564 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.759 0.751 22.440 1.00 0.00 H new ATOM 0 HG LEU B 26 23.718 2.003 21.493 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.125 3.393 23.490 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.405 2.974 23.307 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.404 2.128 24.512 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.897 1.847 22.664 1.00 0.00 H new ATOM 0 HD22 LEU B 26 25.274 0.485 23.626 1.00 0.00 H new ATOM 0 HD23 LEU B 26 25.462 0.318 21.864 1.00 0.00 H new ATOM 776 N VAL B 27 21.945 0.496 25.643 1.00 0.00 N ATOM 777 CA VAL B 27 21.990 1.162 26.945 1.00 0.00 C ATOM 778 C VAL B 27 22.606 0.222 27.985 1.00 0.00 C ATOM 779 O VAL B 27 23.481 0.611 28.760 1.00 0.00 O ATOM 780 CB VAL B 27 20.572 1.540 27.377 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.619 2.451 28.607 1.00 0.00 C ATOM 782 CG2 VAL B 27 19.871 2.268 26.230 1.00 0.00 C ATOM 0 H VAL B 27 21.007 0.322 25.283 1.00 0.00 H new ATOM 0 HA VAL B 27 22.599 2.063 26.866 1.00 0.00 H new ATOM 0 HB VAL B 27 20.023 0.633 27.630 1.00 0.00 H new ATOM 0 HG11 VAL B 27 19.604 2.713 28.905 1.00 0.00 H new ATOM 0 HG12 VAL B 27 21.115 1.931 29.427 1.00 0.00 H new ATOM 0 HG13 VAL B 27 21.172 3.359 28.366 1.00 0.00 H new ATOM 0 HG21 VAL B 27 18.860 2.539 26.535 1.00 0.00 H new ATOM 0 HG22 VAL B 27 20.428 3.170 25.977 1.00 0.00 H new ATOM 0 HG23 VAL B 27 19.825 1.615 25.359 1.00 0.00 H new ATOM 792 N MET B 28 22.132 -1.019 27.970 1.00 0.00 N ATOM 793 CA MET B 28 22.619 -2.048 28.891 1.00 0.00 C ATOM 794 C MET B 28 24.046 -2.465 28.540 1.00 0.00 C ATOM 795 O MET B 28 24.840 -2.792 29.421 1.00 0.00 O ATOM 796 CB MET B 28 21.691 -3.269 28.859 1.00 0.00 C ATOM 797 CG MET B 28 20.422 -2.976 29.666 1.00 0.00 C ATOM 798 SD MET B 28 19.297 -4.393 29.566 1.00 0.00 S ATOM 799 CE MET B 28 20.308 -5.575 30.495 1.00 0.00 C ATOM 0 H MET B 28 21.408 -1.341 27.328 1.00 0.00 H new ATOM 0 HA MET B 28 22.623 -1.629 29.897 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.430 -3.512 27.829 1.00 0.00 H new ATOM 0 HB3 MET B 28 22.203 -4.138 29.272 1.00 0.00 H new ATOM 0 HG2 MET B 28 20.679 -2.775 30.706 1.00 0.00 H new ATOM 0 HG3 MET B 28 19.932 -2.082 29.280 1.00 0.00 H new ATOM 0 HE1 MET B 28 19.663 -6.328 30.948 1.00 0.00 H new ATOM 0 HE2 MET B 28 21.014 -6.060 29.820 1.00 0.00 H new ATOM 0 HE3 MET B 28 20.856 -5.049 31.277 1.00 0.00 H new ATOM 809 N LEU B 29 24.363 -2.457 27.248 1.00 0.00 N ATOM 810 CA LEU B 29 25.698 -2.842 26.793 1.00 0.00 C ATOM 811 C LEU B 29 26.658 -1.668 26.920 1.00 0.00 C ATOM 812 O LEU B 29 27.852 -1.796 26.645 1.00 0.00 O ATOM 813 CB LEU B 29 25.651 -3.301 25.333 1.00 0.00 C ATOM 814 CG LEU B 29 24.747 -4.535 25.199 1.00 0.00 C ATOM 815 CD1 LEU B 29 24.608 -4.900 23.715 1.00 0.00 C ATOM 816 CD2 LEU B 29 25.356 -5.722 25.973 1.00 0.00 C ATOM 0 H LEU B 29 23.720 -2.191 26.502 1.00 0.00 H new ATOM 0 HA LEU B 29 26.048 -3.664 27.418 1.00 0.00 H new ATOM 0 HB2 LEU B 29 25.276 -2.495 24.702 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.657 -3.537 24.985 1.00 0.00 H new ATOM 0 HG LEU B 29 23.765 -4.311 25.615 1.00 0.00 H new ATOM 0 HD11 LEU B 29 23.967 -5.776 23.614 1.00 0.00 H new ATOM 0 HD12 LEU B 29 24.166 -4.063 23.174 1.00 0.00 H new ATOM 0 HD13 LEU B 29 25.592 -5.121 23.301 1.00 0.00 H new ATOM 0 HD21 LEU B 29 24.708 -6.593 25.872 1.00 0.00 H new ATOM 0 HD22 LEU B 29 26.341 -5.954 25.568 1.00 0.00 H new ATOM 0 HD23 LEU B 29 25.450 -5.459 27.027 1.00 0.00 H new ATOM 828 N LYS B 30 26.133 -0.525 27.344 1.00 0.00 N ATOM 829 CA LYS B 30 26.959 0.662 27.507 1.00 0.00 C ATOM 830 C LYS B 30 28.042 0.401 28.548 1.00 0.00 C ATOM 831 O LYS B 30 29.176 0.859 28.409 1.00 0.00 O ATOM 832 CB LYS B 30 26.099 1.854 27.945 1.00 0.00 C ATOM 833 CG LYS B 30 26.851 3.161 27.674 1.00 0.00 C ATOM 834 CD LYS B 30 25.950 4.349 28.017 1.00 0.00 C ATOM 835 CE LYS B 30 26.701 5.654 27.742 1.00 0.00 C ATOM 836 NZ LYS B 30 25.818 6.810 28.064 1.00 0.00 N ATOM 0 H LYS B 30 25.149 -0.396 27.579 1.00 0.00 H new ATOM 0 HA LYS B 30 27.426 0.896 26.550 1.00 0.00 H new ATOM 0 HB2 LYS B 30 25.152 1.849 27.405 1.00 0.00 H new ATOM 0 HB3 LYS B 30 25.862 1.773 29.006 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.763 3.199 28.270 1.00 0.00 H new ATOM 0 HG3 LYS B 30 27.152 3.209 26.628 1.00 0.00 H new ATOM 0 HD2 LYS B 30 25.037 4.310 27.423 1.00 0.00 H new ATOM 0 HD3 LYS B 30 25.651 4.302 29.064 1.00 0.00 H new ATOM 0 HE2 LYS B 30 27.609 5.697 28.343 1.00 0.00 H new ATOM 0 HE3 LYS B 30 27.008 5.697 26.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 26.327 7.698 27.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.964 6.770 27.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 25.546 6.771 29.067 1.00 0.00 H new ATOM 850 N LYS B 31 27.683 -0.342 29.594 1.00 0.00 N ATOM 851 CA LYS B 31 28.633 -0.665 30.660 1.00 0.00 C ATOM 852 C LYS B 31 29.357 -1.973 30.347 1.00 0.00 C ATOM 853 O LYS B 31 29.868 -2.641 31.245 1.00 0.00 O ATOM 854 CB LYS B 31 27.898 -0.805 31.997 1.00 0.00 C ATOM 855 CG LYS B 31 26.994 0.411 32.257 1.00 0.00 C ATOM 856 CD LYS B 31 27.825 1.692 32.416 1.00 0.00 C ATOM 857 CE LYS B 31 26.902 2.845 32.815 1.00 0.00 C ATOM 858 NZ LYS B 31 27.716 4.071 33.046 1.00 0.00 N ATOM 0 H LYS B 31 26.749 -0.730 29.727 1.00 0.00 H new ATOM 0 HA LYS B 31 29.361 0.144 30.727 1.00 0.00 H new ATOM 0 HB2 LYS B 31 27.298 -1.715 31.993 1.00 0.00 H new ATOM 0 HB3 LYS B 31 28.622 -0.904 32.806 1.00 0.00 H new ATOM 0 HG2 LYS B 31 26.292 0.529 31.432 1.00 0.00 H new ATOM 0 HG3 LYS B 31 26.403 0.243 33.157 1.00 0.00 H new ATOM 0 HD2 LYS B 31 28.595 1.548 33.174 1.00 0.00 H new ATOM 0 HD3 LYS B 31 28.336 1.926 31.482 1.00 0.00 H new ATOM 0 HE2 LYS B 31 26.167 3.025 32.031 1.00 0.00 H new ATOM 0 HE3 LYS B 31 26.348 2.587 33.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 27.091 4.857 33.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 28.401 3.894 33.808 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 28.225 4.319 32.174 1.00 0.00 H new ATOM 872 N LYS B 32 29.404 -2.324 29.065 1.00 0.00 N ATOM 873 CA LYS B 32 30.079 -3.548 28.644 1.00 0.00 C ATOM 874 C LYS B 32 31.592 -3.382 28.751 1.00 0.00 C ATOM 875 O LYS B 32 32.203 -4.157 29.469 1.00 0.00 O ATOM 876 CB LYS B 32 29.701 -3.886 27.202 1.00 0.00 C ATOM 877 CG LYS B 32 30.342 -5.216 26.803 1.00 0.00 C ATOM 878 CD LYS B 32 29.891 -5.601 25.393 1.00 0.00 C ATOM 879 CE LYS B 32 30.508 -6.945 25.007 1.00 0.00 C ATOM 880 NZ LYS B 32 31.985 -6.793 24.869 1.00 0.00 N ATOM 0 H LYS B 32 28.987 -1.784 28.306 1.00 0.00 H new ATOM 0 HA LYS B 32 29.764 -4.361 29.298 1.00 0.00 H new ATOM 0 HB2 LYS B 32 28.617 -3.949 27.105 1.00 0.00 H new ATOM 0 HB3 LYS B 32 30.036 -3.094 26.532 1.00 0.00 H new ATOM 0 HG2 LYS B 32 31.428 -5.133 26.838 1.00 0.00 H new ATOM 0 HG3 LYS B 32 30.059 -5.995 27.511 1.00 0.00 H new ATOM 0 HD2 LYS B 32 28.804 -5.663 25.352 1.00 0.00 H new ATOM 0 HD3 LYS B 32 30.193 -4.833 24.681 1.00 0.00 H new ATOM 0 HE2 LYS B 32 30.278 -7.694 25.765 1.00 0.00 H new ATOM 0 HE3 LYS B 32 30.079 -7.298 24.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 32.367 -7.593 24.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 32.198 -5.904 24.374 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 32.422 -6.777 25.813 1.00 0.00 H new