USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=12 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 151:sc= -1.09 (180deg=-1.7) USER MOD Single : A 20 THR OG1 : rot -76:sc= -0.634! USER MOD Single : A 21 MET CE :methyl 168:sc= 0 (180deg=-0.0253) 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+ -164:sc= -0.0167 (180deg=-0.31) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0159 (180deg=-0.243) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl 154:sc= -1.12 (180deg=-1.77) USER MOD Single : B 20 THR OG1 : rot -76:sc= -0.628 USER MOD Single : B 21 MET CE :methyl 167:sc= 0 (180deg=-0.0313) 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+ -164:sc= -0.0202 (180deg=-0.314) USER MOD Single : B 32 LYS NZ :NH3+ -166:sc= -0.0103 (180deg=-0.272) USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 7 6.797 1.155 -2.143 1.00 0.00 N ATOM 30 CA ALA A 7 7.635 2.170 -1.514 1.00 0.00 C ATOM 31 C ALA A 7 7.266 2.341 -0.044 1.00 0.00 C ATOM 32 O ALA A 7 8.082 2.786 0.762 1.00 0.00 O ATOM 33 CB ALA A 7 7.470 3.505 -2.242 1.00 0.00 C ATOM 0 HA ALA A 7 8.674 1.845 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.098 4.258 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.766 3.390 -3.285 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.427 3.819 -2.194 1.00 0.00 H new ATOM 39 N ILE A 8 6.030 1.993 0.296 1.00 0.00 N ATOM 40 CA ILE A 8 5.570 2.126 1.672 1.00 0.00 C ATOM 41 C ILE A 8 6.400 1.239 2.594 1.00 0.00 C ATOM 42 O ILE A 8 6.788 1.663 3.681 1.00 0.00 O ATOM 43 CB ILE A 8 4.091 1.739 1.780 1.00 0.00 C ATOM 44 CG1 ILE A 8 3.243 2.756 1.015 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.664 1.744 3.253 1.00 0.00 C ATOM 46 CD1 ILE A 8 1.817 2.223 0.868 1.00 0.00 C ATOM 0 H ILE A 8 5.337 1.621 -0.353 1.00 0.00 H new ATOM 0 HA ILE A 8 5.688 3.166 1.975 1.00 0.00 H new ATOM 0 HB ILE A 8 3.948 0.744 1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.234 3.709 1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.677 2.941 0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.612 1.469 3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.267 1.027 3.809 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.809 2.740 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.212 2.948 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.835 1.281 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.386 2.060 1.856 1.00 0.00 H new ATOM 58 N ILE A 9 6.674 0.009 2.160 1.00 0.00 N ATOM 59 CA ILE A 9 7.453 -0.910 2.974 1.00 0.00 C ATOM 60 C ILE A 9 8.839 -0.306 3.247 1.00 0.00 C ATOM 61 O ILE A 9 9.370 -0.400 4.351 1.00 0.00 O ATOM 62 CB ILE A 9 7.551 -2.285 2.262 1.00 0.00 C ATOM 63 CG1 ILE A 9 7.594 -3.418 3.300 1.00 0.00 C ATOM 64 CG2 ILE A 9 8.806 -2.369 1.383 1.00 0.00 C ATOM 65 CD1 ILE A 9 8.689 -3.147 4.334 1.00 0.00 C ATOM 0 H ILE A 9 6.371 -0.366 1.261 1.00 0.00 H new ATOM 0 HA ILE A 9 6.963 -1.069 3.934 1.00 0.00 H new ATOM 0 HB ILE A 9 6.669 -2.391 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.628 -3.503 3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.781 -4.370 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.846 -3.344 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.772 -1.587 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.693 -2.235 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.709 -3.957 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.655 -3.086 3.833 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.484 -2.205 4.843 1.00 0.00 H new ATOM 77 N GLY A 10 9.419 0.307 2.228 1.00 0.00 N ATOM 78 CA GLY A 10 10.733 0.917 2.381 1.00 0.00 C ATOM 79 C GLY A 10 10.746 1.850 3.591 1.00 0.00 C ATOM 80 O GLY A 10 11.525 1.662 4.525 1.00 0.00 O ATOM 0 H GLY A 10 9.009 0.396 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.490 0.142 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.990 1.475 1.480 1.00 0.00 H new ATOM 84 N LEU A 11 9.878 2.856 3.563 1.00 0.00 N ATOM 85 CA LEU A 11 9.783 3.822 4.647 1.00 0.00 C ATOM 86 C LEU A 11 9.126 3.222 5.892 1.00 0.00 C ATOM 87 O LEU A 11 9.388 3.668 7.009 1.00 0.00 O ATOM 88 CB LEU A 11 8.985 5.040 4.167 1.00 0.00 C ATOM 89 CG LEU A 11 8.824 6.059 5.302 1.00 0.00 C ATOM 90 CD1 LEU A 11 10.197 6.471 5.858 1.00 0.00 C ATOM 91 CD2 LEU A 11 8.098 7.296 4.763 1.00 0.00 C ATOM 0 H LEU A 11 9.227 3.022 2.795 1.00 0.00 H new ATOM 0 HA LEU A 11 10.793 4.121 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.493 5.505 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.004 4.723 3.813 1.00 0.00 H new ATOM 0 HG LEU A 11 8.246 5.606 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.062 7.194 6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.712 5.591 6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.792 6.920 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.979 8.026 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.681 7.736 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.117 7.007 4.387 1.00 0.00 H new ATOM 103 N MET A 12 8.254 2.231 5.703 1.00 0.00 N ATOM 104 CA MET A 12 7.559 1.621 6.809 1.00 0.00 C ATOM 105 C MET A 12 8.481 1.383 7.993 1.00 0.00 C ATOM 106 O MET A 12 8.203 1.832 9.103 1.00 0.00 O ATOM 107 CB MET A 12 6.991 0.281 6.344 1.00 0.00 C ATOM 108 CG MET A 12 6.344 -0.453 7.508 1.00 0.00 C ATOM 109 SD MET A 12 7.590 -1.450 8.376 1.00 0.00 S ATOM 110 CE MET A 12 7.186 -0.970 10.080 1.00 0.00 C ATOM 0 H MET A 12 8.020 1.842 4.790 1.00 0.00 H new ATOM 0 HA MET A 12 6.766 2.296 7.132 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.257 0.444 5.555 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.786 -0.330 5.917 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.894 0.263 8.196 1.00 0.00 H new ATOM 0 HG3 MET A 12 5.541 -1.094 7.144 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.436 -1.787 10.757 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.758 -0.084 10.354 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.121 -0.751 10.153 1.00 0.00 H new ATOM 120 N VAL A 13 9.585 0.697 7.746 1.00 0.00 N ATOM 121 CA VAL A 13 10.535 0.423 8.809 1.00 0.00 C ATOM 122 C VAL A 13 11.294 1.688 9.181 1.00 0.00 C ATOM 123 O VAL A 13 11.354 2.052 10.347 1.00 0.00 O ATOM 124 CB VAL A 13 11.511 -0.672 8.366 1.00 0.00 C ATOM 125 CG1 VAL A 13 10.725 -1.952 8.069 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.258 -0.221 7.102 1.00 0.00 C ATOM 0 H VAL A 13 9.842 0.325 6.832 1.00 0.00 H new ATOM 0 HA VAL A 13 9.990 0.077 9.688 1.00 0.00 H new ATOM 0 HB VAL A 13 12.235 -0.860 9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.413 -2.736 7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.198 -2.272 8.968 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.004 -1.760 7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.951 -1.003 6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.541 -0.033 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.813 0.693 7.314 1.00 0.00 H new ATOM 136 N GLY A 14 11.860 2.347 8.171 1.00 0.00 N ATOM 137 CA GLY A 14 12.629 3.578 8.367 1.00 0.00 C ATOM 138 C GLY A 14 12.151 4.385 9.575 1.00 0.00 C ATOM 139 O GLY A 14 12.961 4.849 10.380 1.00 0.00 O ATOM 0 H GLY A 14 11.800 2.046 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.682 3.327 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.555 4.194 7.471 1.00 0.00 H new ATOM 143 N GLY A 15 10.840 4.572 9.685 1.00 0.00 N ATOM 144 CA GLY A 15 10.289 5.353 10.790 1.00 0.00 C ATOM 145 C GLY A 15 10.736 4.807 12.140 1.00 0.00 C ATOM 146 O GLY A 15 10.412 5.373 13.182 1.00 0.00 O ATOM 0 H GLY A 15 10.147 4.201 9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.604 6.392 10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.200 5.344 10.736 1.00 0.00 H new ATOM 150 N VAL A 16 11.500 3.721 12.117 1.00 0.00 N ATOM 151 CA VAL A 16 11.997 3.134 13.348 1.00 0.00 C ATOM 152 C VAL A 16 13.217 3.901 13.829 1.00 0.00 C ATOM 153 O VAL A 16 13.286 4.321 14.981 1.00 0.00 O ATOM 154 CB VAL A 16 12.367 1.665 13.125 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.122 0.856 12.669 1.00 0.00 C ATOM 156 CG2 VAL A 16 13.498 1.563 12.079 1.00 0.00 C ATOM 0 H VAL A 16 11.785 3.235 11.266 1.00 0.00 H new ATOM 0 HA VAL A 16 11.213 3.190 14.104 1.00 0.00 H new ATOM 0 HB VAL A 16 12.721 1.241 14.065 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.402 -0.186 12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.349 0.915 13.435 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.740 1.271 11.736 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.757 0.516 11.924 1.00 0.00 H new ATOM 0 HG22 VAL A 16 13.163 1.997 11.137 1.00 0.00 H new ATOM 0 HG23 VAL A 16 14.374 2.105 12.436 1.00 0.00 H new ATOM 166 N VAL A 17 14.175 4.084 12.926 1.00 0.00 N ATOM 167 CA VAL A 17 15.396 4.801 13.251 1.00 0.00 C ATOM 168 C VAL A 17 15.089 6.054 14.062 1.00 0.00 C ATOM 169 O VAL A 17 15.828 6.414 14.979 1.00 0.00 O ATOM 170 CB VAL A 17 16.117 5.223 11.978 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.365 6.024 12.363 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.527 3.980 11.182 1.00 0.00 C ATOM 0 H VAL A 17 14.127 3.745 11.965 1.00 0.00 H new ATOM 0 HA VAL A 17 16.026 4.130 13.835 1.00 0.00 H new ATOM 0 HB VAL A 17 15.458 5.836 11.363 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.892 6.333 11.460 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.070 6.906 12.931 1.00 0.00 H new ATOM 0 HG13 VAL A 17 18.022 5.403 12.972 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.043 4.285 10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.192 3.364 11.787 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.638 3.406 10.921 1.00 0.00 H new ATOM 182 N ILE A 18 13.991 6.712 13.716 1.00 0.00 N ATOM 183 CA ILE A 18 13.610 7.922 14.429 1.00 0.00 C ATOM 184 C ILE A 18 13.283 7.587 15.878 1.00 0.00 C ATOM 185 O ILE A 18 13.757 8.239 16.807 1.00 0.00 O ATOM 186 CB ILE A 18 12.397 8.569 13.762 1.00 0.00 C ATOM 187 CG1 ILE A 18 12.670 8.771 12.263 1.00 0.00 C ATOM 188 CG2 ILE A 18 12.120 9.923 14.420 1.00 0.00 C ATOM 189 CD1 ILE A 18 13.980 9.539 12.049 1.00 0.00 C ATOM 0 H ILE A 18 13.361 6.436 12.963 1.00 0.00 H new ATOM 0 HA ILE A 18 14.444 8.623 14.401 1.00 0.00 H new ATOM 0 HB ILE A 18 11.530 7.919 13.881 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.725 7.803 11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 18 11.844 9.318 11.808 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.255 10.387 13.946 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.918 9.777 15.481 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.989 10.570 14.302 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.154 9.671 10.981 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.912 10.515 12.529 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.806 8.977 12.485 1.00 0.00 H new ATOM 201 N ALA A 19 12.448 6.576 16.050 1.00 0.00 N ATOM 202 CA ALA A 19 12.026 6.165 17.385 1.00 0.00 C ATOM 203 C ALA A 19 13.217 5.748 18.246 1.00 0.00 C ATOM 204 O ALA A 19 13.372 6.228 19.370 1.00 0.00 O ATOM 205 CB ALA A 19 11.027 5.017 17.289 1.00 0.00 C ATOM 0 H ALA A 19 12.049 6.026 15.289 1.00 0.00 H new ATOM 0 HA ALA A 19 11.550 7.022 17.862 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.719 4.718 18.291 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.154 5.341 16.722 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.493 4.170 16.785 1.00 0.00 H new ATOM 211 N THR A 20 14.048 4.846 17.734 1.00 0.00 N ATOM 212 CA THR A 20 15.207 4.366 18.490 1.00 0.00 C ATOM 213 C THR A 20 16.198 5.493 18.727 1.00 0.00 C ATOM 214 O THR A 20 17.040 5.409 19.619 1.00 0.00 O ATOM 215 CB THR A 20 15.908 3.218 17.736 1.00 0.00 C ATOM 216 OG1 THR A 20 17.318 3.394 17.787 1.00 0.00 O ATOM 217 CG2 THR A 20 15.466 3.205 16.276 1.00 0.00 C ATOM 0 H THR A 20 13.945 4.433 16.807 1.00 0.00 H new ATOM 0 HA THR A 20 14.850 3.998 19.452 1.00 0.00 H new ATOM 0 HB THR A 20 15.637 2.275 18.210 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.582 4.100 17.161 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.966 2.391 15.752 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.387 3.061 16.224 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.729 4.154 15.808 1.00 0.00 H new ATOM 225 N MET A 21 16.102 6.553 17.943 1.00 0.00 N ATOM 226 CA MET A 21 16.994 7.690 18.121 1.00 0.00 C ATOM 227 C MET A 21 16.483 8.594 19.239 1.00 0.00 C ATOM 228 O MET A 21 17.278 9.151 19.990 1.00 0.00 O ATOM 229 CB MET A 21 17.134 8.472 16.802 1.00 0.00 C ATOM 230 CG MET A 21 18.236 7.852 15.912 1.00 0.00 C ATOM 231 SD MET A 21 18.278 6.041 16.100 1.00 0.00 S ATOM 232 CE MET A 21 19.940 5.889 16.818 1.00 0.00 C ATOM 0 H MET A 21 15.426 6.652 17.186 1.00 0.00 H new ATOM 0 HA MET A 21 17.980 7.322 18.404 1.00 0.00 H new ATOM 0 HB2 MET A 21 16.184 8.467 16.268 1.00 0.00 H new ATOM 0 HB3 MET A 21 17.375 9.513 17.015 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.054 8.109 14.869 1.00 0.00 H new ATOM 0 HG3 MET A 21 19.205 8.272 16.180 1.00 0.00 H new ATOM 0 HE1 MET A 21 20.078 4.879 17.204 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.688 6.090 16.051 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.052 6.607 17.630 1.00 0.00 H new ATOM 242 N ILE A 22 15.161 8.751 19.355 1.00 0.00 N ATOM 243 CA ILE A 22 14.600 9.602 20.400 1.00 0.00 C ATOM 244 C ILE A 22 14.895 9.035 21.791 1.00 0.00 C ATOM 245 O ILE A 22 15.266 9.777 22.696 1.00 0.00 O ATOM 246 CB ILE A 22 13.082 9.724 20.202 1.00 0.00 C ATOM 247 CG1 ILE A 22 12.795 10.514 18.920 1.00 0.00 C ATOM 248 CG2 ILE A 22 12.458 10.454 21.396 1.00 0.00 C ATOM 249 CD1 ILE A 22 11.324 10.346 18.529 1.00 0.00 C ATOM 0 H ILE A 22 14.472 8.307 18.748 1.00 0.00 H new ATOM 0 HA ILE A 22 15.063 10.586 20.328 1.00 0.00 H new ATOM 0 HB ILE A 22 12.651 8.726 20.123 1.00 0.00 H new ATOM 0 HG12 ILE A 22 13.023 11.569 19.073 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.438 10.163 18.113 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.381 10.537 21.249 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.658 9.894 22.310 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.891 11.451 21.480 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.123 10.909 17.617 1.00 0.00 H new ATOM 0 HD12 ILE A 22 11.111 9.291 18.358 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.689 10.719 19.333 1.00 0.00 H new ATOM 261 N VAL A 23 14.719 7.723 21.962 1.00 0.00 N ATOM 262 CA VAL A 23 14.964 7.101 23.265 1.00 0.00 C ATOM 263 C VAL A 23 16.426 7.247 23.659 1.00 0.00 C ATOM 264 O VAL A 23 16.748 7.504 24.810 1.00 0.00 O ATOM 265 CB VAL A 23 14.591 5.614 23.240 1.00 0.00 C ATOM 266 CG1 VAL A 23 13.151 5.450 22.740 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.549 4.858 22.315 1.00 0.00 C ATOM 0 H VAL A 23 14.414 7.081 21.230 1.00 0.00 H new ATOM 0 HA VAL A 23 14.340 7.610 23.999 1.00 0.00 H new ATOM 0 HB VAL A 23 14.669 5.207 24.248 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.890 4.392 22.724 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.472 5.981 23.407 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.066 5.860 21.734 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.282 3.801 22.299 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.478 5.265 21.306 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.570 4.968 22.680 1.00 0.00 H new ATOM 277 N ILE A 24 17.311 7.076 22.696 1.00 0.00 N ATOM 278 CA ILE A 24 18.745 7.186 22.954 1.00 0.00 C ATOM 279 C ILE A 24 19.025 8.364 23.902 1.00 0.00 C ATOM 280 O ILE A 24 20.030 8.389 24.611 1.00 0.00 O ATOM 281 CB ILE A 24 19.484 7.351 21.599 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.776 6.518 21.598 1.00 0.00 C ATOM 283 CG2 ILE A 24 19.835 8.823 21.324 1.00 0.00 C ATOM 284 CD1 ILE A 24 20.439 5.012 21.654 1.00 0.00 C ATOM 0 H ILE A 24 17.069 6.861 21.729 1.00 0.00 H new ATOM 0 HA ILE A 24 19.111 6.284 23.444 1.00 0.00 H new ATOM 0 HB ILE A 24 18.813 7.001 20.814 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.357 6.735 20.702 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.395 6.792 22.453 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.351 8.901 20.367 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.921 9.415 21.292 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.482 9.197 22.117 1.00 0.00 H new ATOM 0 HD11 ILE A 24 21.362 4.432 21.653 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.878 4.798 22.564 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.839 4.741 20.785 1.00 0.00 H new ATOM 296 N THR A 25 18.104 9.324 23.909 1.00 0.00 N ATOM 297 CA THR A 25 18.225 10.501 24.779 1.00 0.00 C ATOM 298 C THR A 25 17.723 10.175 26.192 1.00 0.00 C ATOM 299 O THR A 25 18.286 10.633 27.184 1.00 0.00 O ATOM 300 CB THR A 25 17.457 11.700 24.170 1.00 0.00 C ATOM 301 OG1 THR A 25 18.156 12.899 24.468 1.00 0.00 O ATOM 302 CG2 THR A 25 16.025 11.803 24.724 1.00 0.00 C ATOM 0 H THR A 25 17.267 9.315 23.326 1.00 0.00 H new ATOM 0 HA THR A 25 19.276 10.779 24.854 1.00 0.00 H new ATOM 0 HB THR A 25 17.392 11.546 23.093 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.676 13.662 24.084 1.00 0.00 H new ATOM 0 HG21 THR A 25 15.520 12.657 24.272 1.00 0.00 H new ATOM 0 HG22 THR A 25 15.477 10.891 24.488 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.062 11.935 25.805 1.00 0.00 H new ATOM 310 N LEU A 26 16.661 9.377 26.265 1.00 0.00 N ATOM 311 CA LEU A 26 16.073 8.978 27.544 1.00 0.00 C ATOM 312 C LEU A 26 17.173 8.481 28.485 1.00 0.00 C ATOM 313 O LEU A 26 17.194 8.813 29.670 1.00 0.00 O ATOM 314 CB LEU A 26 15.018 7.890 27.248 1.00 0.00 C ATOM 315 CG LEU A 26 14.479 7.193 28.513 1.00 0.00 C ATOM 316 CD1 LEU A 26 15.486 6.157 29.057 1.00 0.00 C ATOM 317 CD2 LEU A 26 14.118 8.233 29.588 1.00 0.00 C ATOM 0 H LEU A 26 16.186 8.991 25.449 1.00 0.00 H new ATOM 0 HA LEU A 26 15.588 9.817 28.044 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.185 8.341 26.709 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.456 7.140 26.589 1.00 0.00 H new ATOM 0 HG LEU A 26 13.572 6.653 28.241 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.075 5.684 29.949 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.673 5.398 28.297 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.421 6.657 29.309 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.739 7.724 30.474 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.006 8.807 29.851 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.353 8.906 29.201 1.00 0.00 H new ATOM 329 N VAL A 27 18.119 7.732 27.943 1.00 0.00 N ATOM 330 CA VAL A 27 19.241 7.239 28.740 1.00 0.00 C ATOM 331 C VAL A 27 20.042 8.417 29.283 1.00 0.00 C ATOM 332 O VAL A 27 20.421 8.448 30.454 1.00 0.00 O ATOM 333 CB VAL A 27 20.146 6.374 27.859 1.00 0.00 C ATOM 334 CG1 VAL A 27 21.347 5.871 28.678 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.340 5.180 27.298 1.00 0.00 C ATOM 0 H VAL A 27 18.137 7.451 26.963 1.00 0.00 H new ATOM 0 HA VAL A 27 18.861 6.646 29.572 1.00 0.00 H new ATOM 0 HB VAL A 27 20.517 6.971 27.026 1.00 0.00 H new ATOM 0 HG11 VAL A 27 21.987 5.256 28.045 1.00 0.00 H new ATOM 0 HG12 VAL A 27 21.916 6.723 29.050 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.990 5.277 29.519 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.987 4.566 26.671 1.00 0.00 H new ATOM 0 HG22 VAL A 27 18.958 4.579 28.123 1.00 0.00 H new ATOM 0 HG23 VAL A 27 18.506 5.552 26.703 1.00 0.00 H new ATOM 345 N MET A 28 20.287 9.381 28.405 1.00 0.00 N ATOM 346 CA MET A 28 21.039 10.573 28.771 1.00 0.00 C ATOM 347 C MET A 28 20.269 11.395 29.802 1.00 0.00 C ATOM 348 O MET A 28 20.865 11.969 30.713 1.00 0.00 O ATOM 349 CB MET A 28 21.321 11.428 27.532 1.00 0.00 C ATOM 350 CG MET A 28 22.233 10.661 26.563 1.00 0.00 C ATOM 351 SD MET A 28 23.861 10.385 27.315 1.00 0.00 S ATOM 352 CE MET A 28 24.618 11.965 26.856 1.00 0.00 C ATOM 0 H MET A 28 19.975 9.360 27.434 1.00 0.00 H new ATOM 0 HA MET A 28 21.987 10.258 29.207 1.00 0.00 H new ATOM 0 HB2 MET A 28 20.385 11.686 27.037 1.00 0.00 H new ATOM 0 HB3 MET A 28 21.794 12.365 27.826 1.00 0.00 H new ATOM 0 HG2 MET A 28 21.778 9.705 26.304 1.00 0.00 H new ATOM 0 HG3 MET A 28 22.344 11.223 25.636 1.00 0.00 H new ATOM 0 HE1 MET A 28 25.641 12.000 27.230 1.00 0.00 H new ATOM 0 HE2 MET A 28 24.625 12.064 25.770 1.00 0.00 H new ATOM 0 HE3 MET A 28 24.044 12.783 27.291 1.00 0.00 H new ATOM 362 N LEU A 29 18.945 11.447 29.659 1.00 0.00 N ATOM 363 CA LEU A 29 18.116 12.204 30.593 1.00 0.00 C ATOM 364 C LEU A 29 17.828 11.377 31.837 1.00 0.00 C ATOM 365 O LEU A 29 17.232 11.865 32.796 1.00 0.00 O ATOM 366 CB LEU A 29 16.792 12.579 29.921 1.00 0.00 C ATOM 367 CG LEU A 29 17.056 13.502 28.723 1.00 0.00 C ATOM 368 CD1 LEU A 29 15.738 13.751 27.979 1.00 0.00 C ATOM 369 CD2 LEU A 29 17.647 14.842 29.208 1.00 0.00 C ATOM 0 H LEU A 29 18.429 10.979 28.914 1.00 0.00 H new ATOM 0 HA LEU A 29 18.654 13.107 30.881 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.274 11.679 29.590 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.139 13.077 30.638 1.00 0.00 H new ATOM 0 HG LEU A 29 17.771 13.028 28.050 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.919 14.406 27.127 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.334 12.802 27.627 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.023 14.222 28.653 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.831 15.490 28.351 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.943 15.326 29.885 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.585 14.658 29.731 1.00 0.00 H new ATOM 381 N LYS A 30 18.255 10.120 31.817 1.00 0.00 N ATOM 382 CA LYS A 30 18.036 9.237 32.952 1.00 0.00 C ATOM 383 C LYS A 30 18.746 9.790 34.183 1.00 0.00 C ATOM 384 O LYS A 30 18.277 9.625 35.309 1.00 0.00 O ATOM 385 CB LYS A 30 18.556 7.829 32.637 1.00 0.00 C ATOM 386 CG LYS A 30 17.890 6.808 33.565 1.00 0.00 C ATOM 387 CD LYS A 30 18.332 5.397 33.172 1.00 0.00 C ATOM 388 CE LYS A 30 17.672 4.379 34.104 1.00 0.00 C ATOM 389 NZ LYS A 30 18.092 3.003 33.714 1.00 0.00 N ATOM 0 H LYS A 30 18.750 9.694 31.034 1.00 0.00 H new ATOM 0 HA LYS A 30 16.966 9.179 33.152 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.347 7.579 31.597 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.638 7.795 32.762 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.162 7.011 34.601 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.805 6.893 33.498 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.055 5.192 32.138 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.417 5.313 33.234 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.956 4.578 35.137 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.587 4.469 34.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.644 2.311 34.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.800 2.816 32.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.126 2.921 33.789 1.00 0.00 H new ATOM 403 N LYS A 31 19.879 10.459 33.958 1.00 0.00 N ATOM 404 CA LYS A 31 20.654 11.050 35.051 1.00 0.00 C ATOM 405 C LYS A 31 20.455 12.564 35.079 1.00 0.00 C ATOM 406 O LYS A 31 21.386 13.316 35.364 1.00 0.00 O ATOM 407 CB LYS A 31 22.138 10.731 34.865 1.00 0.00 C ATOM 408 CG LYS A 31 22.361 9.226 35.034 1.00 0.00 C ATOM 409 CD LYS A 31 23.837 8.898 34.809 1.00 0.00 C ATOM 410 CE LYS A 31 24.044 7.386 34.904 1.00 0.00 C ATOM 411 NZ LYS A 31 23.798 6.937 36.304 1.00 0.00 N ATOM 0 H LYS A 31 20.279 10.605 33.031 1.00 0.00 H new ATOM 0 HA LYS A 31 20.309 10.629 35.995 1.00 0.00 H new ATOM 0 HB2 LYS A 31 22.468 11.050 33.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 22.733 11.282 35.593 1.00 0.00 H new ATOM 0 HG2 LYS A 31 22.057 8.913 36.033 1.00 0.00 H new ATOM 0 HG3 LYS A 31 21.743 8.675 34.325 1.00 0.00 H new ATOM 0 HD2 LYS A 31 24.156 9.259 33.831 1.00 0.00 H new ATOM 0 HD3 LYS A 31 24.451 9.407 35.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 23.367 6.872 34.222 1.00 0.00 H new ATOM 0 HE3 LYS A 31 25.059 7.127 34.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 24.192 5.984 36.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 24.255 7.596 36.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.774 6.917 36.487 1.00 0.00 H new ATOM 425 N LYS A 32 19.233 13.000 34.787 1.00 0.00 N ATOM 426 CA LYS A 32 18.918 14.424 34.787 1.00 0.00 C ATOM 427 C LYS A 32 19.397 15.078 36.080 1.00 0.00 C ATOM 428 O LYS A 32 18.853 16.111 36.436 1.00 0.00 O ATOM 429 CB LYS A 32 17.409 14.627 34.630 1.00 0.00 C ATOM 430 CG LYS A 32 16.673 13.978 35.807 1.00 0.00 C ATOM 431 CD LYS A 32 15.164 14.119 35.602 1.00 0.00 C ATOM 432 CE LYS A 32 14.430 13.593 36.838 1.00 0.00 C ATOM 433 NZ LYS A 32 14.655 12.125 36.961 1.00 0.00 N ATOM 0 H LYS A 32 18.450 12.392 34.549 1.00 0.00 H new ATOM 0 HA LYS A 32 19.432 14.892 33.948 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.178 15.691 34.587 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.070 14.190 33.691 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.944 12.925 35.884 1.00 0.00 H new ATOM 0 HG3 LYS A 32 16.970 14.452 36.742 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.906 15.164 35.430 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.853 13.564 34.717 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.789 14.103 37.732 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.363 13.803 36.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.980 11.726 37.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.517 11.674 36.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.626 11.949 37.290 1.00 0.00 H new ATOM 448 N LYS B 5 -6.185 -1.040 3.339 1.00 0.00 N ATOM 449 CA LYS B 5 -4.744 -0.660 3.314 1.00 0.00 C ATOM 450 C LYS B 5 -4.462 0.293 4.469 1.00 0.00 C ATOM 451 O LYS B 5 -3.308 0.552 4.804 1.00 0.00 O ATOM 452 CB LYS B 5 -4.422 0.026 1.983 1.00 0.00 C ATOM 453 CG LYS B 5 -4.847 -0.865 0.807 1.00 0.00 C ATOM 454 CD LYS B 5 -4.040 -2.168 0.804 1.00 0.00 C ATOM 455 CE LYS B 5 -4.195 -2.858 -0.553 1.00 0.00 C ATOM 456 NZ LYS B 5 -3.382 -4.107 -0.570 1.00 0.00 N ATOM 0 HA LYS B 5 -4.123 -1.550 3.416 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -4.937 0.985 1.926 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.354 0.234 1.923 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -5.911 -1.089 0.879 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -4.696 -0.334 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -2.988 -1.958 1.000 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -4.387 -2.826 1.601 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -5.244 -3.091 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.872 -2.190 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.487 -4.577 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.381 -3.872 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.710 -4.745 0.183 1.00 0.00 H new ATOM 469 N GLY B 6 -5.524 0.811 5.075 1.00 0.00 N ATOM 470 CA GLY B 6 -5.378 1.733 6.194 1.00 0.00 C ATOM 471 C GLY B 6 -4.728 1.041 7.388 1.00 0.00 C ATOM 472 O GLY B 6 -3.974 1.656 8.138 1.00 0.00 O ATOM 0 H GLY B 6 -6.489 0.610 4.813 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.773 2.587 5.890 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -6.355 2.121 6.481 1.00 0.00 H new ATOM 476 N ALA B 7 -5.027 -0.242 7.558 1.00 0.00 N ATOM 477 CA ALA B 7 -4.469 -1.008 8.667 1.00 0.00 C ATOM 478 C ALA B 7 -2.945 -0.972 8.634 1.00 0.00 C ATOM 479 O ALA B 7 -2.290 -1.154 9.659 1.00 0.00 O ATOM 480 CB ALA B 7 -4.948 -2.459 8.591 1.00 0.00 C ATOM 0 H ALA B 7 -5.649 -0.771 6.946 1.00 0.00 H new ATOM 0 HA ALA B 7 -4.810 -0.559 9.600 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -4.527 -3.025 9.422 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -6.036 -2.486 8.647 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -4.622 -2.901 7.649 1.00 0.00 H new ATOM 486 N ILE B 8 -2.386 -0.744 7.451 1.00 0.00 N ATOM 487 CA ILE B 8 -0.937 -0.699 7.304 1.00 0.00 C ATOM 488 C ILE B 8 -0.357 0.439 8.138 1.00 0.00 C ATOM 489 O ILE B 8 0.664 0.266 8.801 1.00 0.00 O ATOM 490 CB ILE B 8 -0.555 -0.504 5.832 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.962 -1.745 5.035 1.00 0.00 C ATOM 492 CG2 ILE B 8 0.963 -0.315 5.715 1.00 0.00 C ATOM 493 CD1 ILE B 8 -0.858 -1.447 3.539 1.00 0.00 C ATOM 0 H ILE B 8 -2.908 -0.589 6.588 1.00 0.00 H new ATOM 0 HA ILE B 8 -0.527 -1.646 7.655 1.00 0.00 H new ATOM 0 HB ILE B 8 -1.067 0.375 5.441 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.318 -2.585 5.295 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -1.982 -2.035 5.289 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.233 -0.177 4.668 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.266 0.562 6.287 1.00 0.00 H new ATOM 0 HG23 ILE B 8 1.471 -1.196 6.107 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -1.148 -2.331 2.971 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.521 -0.620 3.286 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.169 -1.178 3.292 1.00 0.00 H new ATOM 505 N ILE B 9 -1.009 1.601 8.106 1.00 0.00 N ATOM 506 CA ILE B 9 -0.526 2.745 8.864 1.00 0.00 C ATOM 507 C ILE B 9 -0.491 2.392 10.358 1.00 0.00 C ATOM 508 O ILE B 9 0.441 2.747 11.076 1.00 0.00 O ATOM 509 CB ILE B 9 -1.427 3.975 8.581 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.595 5.267 8.635 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.568 4.077 9.600 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.195 5.333 9.944 1.00 0.00 C ATOM 0 H ILE B 9 -1.860 1.770 7.570 1.00 0.00 H new ATOM 0 HA ILE B 9 0.488 2.999 8.557 1.00 0.00 H new ATOM 0 HB ILE B 9 -1.853 3.847 7.586 1.00 0.00 H new ATOM 0 HG12 ILE B 9 0.089 5.303 7.787 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.251 6.134 8.553 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.181 4.949 9.374 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -3.183 3.178 9.549 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -2.152 4.176 10.603 1.00 0.00 H new ATOM 0 HD11 ILE B 9 0.780 6.252 9.970 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.496 5.318 10.787 1.00 0.00 H new ATOM 0 HD13 ILE B 9 0.864 4.475 10.009 1.00 0.00 H new ATOM 524 N GLY B 10 -1.519 1.699 10.819 1.00 0.00 N ATOM 525 CA GLY B 10 -1.583 1.310 12.221 1.00 0.00 C ATOM 526 C GLY B 10 -0.288 0.610 12.636 1.00 0.00 C ATOM 527 O GLY B 10 0.411 1.061 13.543 1.00 0.00 O ATOM 0 H GLY B 10 -2.312 1.397 10.253 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -1.744 2.190 12.843 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -2.432 0.646 12.383 1.00 0.00 H new ATOM 531 N LEU B 11 0.019 -0.494 11.963 1.00 0.00 N ATOM 532 CA LEU B 11 1.220 -1.263 12.253 1.00 0.00 C ATOM 533 C LEU B 11 2.486 -0.553 11.766 1.00 0.00 C ATOM 534 O LEU B 11 3.566 -0.759 12.319 1.00 0.00 O ATOM 535 CB LEU B 11 1.106 -2.643 11.596 1.00 0.00 C ATOM 536 CG LEU B 11 2.379 -3.463 11.841 1.00 0.00 C ATOM 537 CD1 LEU B 11 2.664 -3.581 13.347 1.00 0.00 C ATOM 538 CD2 LEU B 11 2.194 -4.863 11.245 1.00 0.00 C ATOM 0 H LEU B 11 -0.552 -0.876 11.209 1.00 0.00 H new ATOM 0 HA LEU B 11 1.303 -1.368 13.335 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.242 -3.173 11.998 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.940 -2.529 10.525 1.00 0.00 H new ATOM 0 HG LEU B 11 3.222 -2.961 11.366 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.571 -4.166 13.501 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.798 -2.586 13.771 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.826 -4.075 13.838 1.00 0.00 H new ATOM 0 HD21 LEU B 11 3.095 -5.453 11.415 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.345 -5.352 11.722 1.00 0.00 H new ATOM 0 HD23 LEU B 11 2.011 -4.781 10.174 1.00 0.00 H new ATOM 550 N MET B 12 2.362 0.261 10.717 1.00 0.00 N ATOM 551 CA MET B 12 3.501 0.951 10.165 1.00 0.00 C ATOM 552 C MET B 12 4.401 1.515 11.251 1.00 0.00 C ATOM 553 O MET B 12 5.597 1.231 11.281 1.00 0.00 O ATOM 554 CB MET B 12 2.993 2.100 9.295 1.00 0.00 C ATOM 555 CG MET B 12 4.159 2.929 8.778 1.00 0.00 C ATOM 556 SD MET B 12 4.581 4.220 9.984 1.00 0.00 S ATOM 557 CE MET B 12 6.382 3.988 10.012 1.00 0.00 C ATOM 0 H MET B 12 1.480 0.451 10.241 1.00 0.00 H new ATOM 0 HA MET B 12 4.086 0.240 9.582 1.00 0.00 H new ATOM 0 HB2 MET B 12 2.420 1.704 8.457 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.318 2.731 9.873 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.023 2.288 8.601 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.898 3.383 7.822 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.865 4.922 10.301 1.00 0.00 H new ATOM 0 HE2 MET B 12 6.637 3.210 10.731 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.726 3.693 9.021 1.00 0.00 H new ATOM 567 N VAL B 13 3.819 2.291 12.149 1.00 0.00 N ATOM 568 CA VAL B 13 4.592 2.873 13.232 1.00 0.00 C ATOM 569 C VAL B 13 4.957 1.807 14.255 1.00 0.00 C ATOM 570 O VAL B 13 6.120 1.663 14.608 1.00 0.00 O ATOM 571 CB VAL B 13 3.794 3.999 13.897 1.00 0.00 C ATOM 572 CG1 VAL B 13 3.504 5.088 12.859 1.00 0.00 C ATOM 573 CG2 VAL B 13 2.471 3.445 14.444 1.00 0.00 C ATOM 0 H VAL B 13 2.827 2.530 12.151 1.00 0.00 H new ATOM 0 HA VAL B 13 5.513 3.288 12.823 1.00 0.00 H new ATOM 0 HB VAL B 13 4.372 4.419 14.720 1.00 0.00 H new ATOM 0 HG11 VAL B 13 2.936 5.893 13.325 1.00 0.00 H new ATOM 0 HG12 VAL B 13 4.444 5.483 12.474 1.00 0.00 H new ATOM 0 HG13 VAL B 13 2.925 4.664 12.039 1.00 0.00 H new ATOM 0 HG21 VAL B 13 1.907 4.250 14.916 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.887 3.024 13.626 1.00 0.00 H new ATOM 0 HG23 VAL B 13 2.678 2.668 15.179 1.00 0.00 H new ATOM 583 N GLY B 14 3.947 1.069 14.714 1.00 0.00 N ATOM 584 CA GLY B 14 4.135 0.007 15.706 1.00 0.00 C ATOM 585 C GLY B 14 5.521 -0.638 15.623 1.00 0.00 C ATOM 586 O GLY B 14 6.179 -0.843 16.644 1.00 0.00 O ATOM 0 H GLY B 14 2.980 1.188 14.412 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.989 0.418 16.705 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.373 -0.759 15.562 1.00 0.00 H new ATOM 590 N GLY B 15 5.947 -0.979 14.412 1.00 0.00 N ATOM 591 CA GLY B 15 7.244 -1.626 14.232 1.00 0.00 C ATOM 592 C GLY B 15 8.370 -0.800 14.841 1.00 0.00 C ATOM 593 O GLY B 15 9.527 -1.218 14.835 1.00 0.00 O ATOM 0 H GLY B 15 5.423 -0.822 13.551 1.00 0.00 H new ATOM 0 HA2 GLY B 15 7.226 -2.614 14.693 1.00 0.00 H new ATOM 0 HA3 GLY B 15 7.434 -1.773 13.169 1.00 0.00 H new ATOM 597 N VAL B 16 8.026 0.360 15.388 1.00 0.00 N ATOM 598 CA VAL B 16 9.021 1.213 16.015 1.00 0.00 C ATOM 599 C VAL B 16 9.316 0.716 17.419 1.00 0.00 C ATOM 600 O VAL B 16 10.469 0.513 17.789 1.00 0.00 O ATOM 601 CB VAL B 16 8.519 2.660 16.076 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.247 3.199 14.645 1.00 0.00 C ATOM 603 CG2 VAL B 16 7.240 2.733 16.939 1.00 0.00 C ATOM 0 H VAL B 16 7.074 0.727 15.409 1.00 0.00 H new ATOM 0 HA VAL B 16 9.934 1.180 15.420 1.00 0.00 H new ATOM 0 HB VAL B 16 9.287 3.284 16.533 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.891 4.228 14.705 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.168 3.167 14.063 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.491 2.581 14.161 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.887 3.763 16.980 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.468 2.102 16.499 1.00 0.00 H new ATOM 0 HG23 VAL B 16 7.462 2.385 17.948 1.00 0.00 H new ATOM 613 N VAL B 17 8.255 0.512 18.193 1.00 0.00 N ATOM 614 CA VAL B 17 8.393 0.036 19.561 1.00 0.00 C ATOM 615 C VAL B 17 9.419 -1.088 19.640 1.00 0.00 C ATOM 616 O VAL B 17 10.188 -1.178 20.597 1.00 0.00 O ATOM 617 CB VAL B 17 7.061 -0.495 20.073 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.262 -1.039 21.490 1.00 0.00 C ATOM 619 CG2 VAL B 17 6.030 0.637 20.097 1.00 0.00 C ATOM 0 H VAL B 17 7.292 0.669 17.895 1.00 0.00 H new ATOM 0 HA VAL B 17 8.721 0.877 20.172 1.00 0.00 H new ATOM 0 HB VAL B 17 6.701 -1.288 19.418 1.00 0.00 H new ATOM 0 HG11 VAL B 17 6.315 -1.423 21.870 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.998 -1.843 21.470 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.616 -0.239 22.140 1.00 0.00 H new ATOM 0 HG21 VAL B 17 5.078 0.254 20.464 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.379 1.433 20.755 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.899 1.031 19.089 1.00 0.00 H new ATOM 629 N ILE B 18 9.421 -1.941 18.624 1.00 0.00 N ATOM 630 CA ILE B 18 10.361 -3.051 18.605 1.00 0.00 C ATOM 631 C ILE B 18 11.786 -2.519 18.522 1.00 0.00 C ATOM 632 O ILE B 18 12.668 -2.931 19.274 1.00 0.00 O ATOM 633 CB ILE B 18 10.080 -3.963 17.412 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.601 -4.381 17.410 1.00 0.00 C ATOM 635 CG2 ILE B 18 10.966 -5.207 17.506 1.00 0.00 C ATOM 636 CD1 ILE B 18 8.208 -4.987 18.765 1.00 0.00 C ATOM 0 H ILE B 18 8.797 -1.888 17.819 1.00 0.00 H new ATOM 0 HA ILE B 18 10.243 -3.626 19.523 1.00 0.00 H new ATOM 0 HB ILE B 18 10.299 -3.427 16.488 1.00 0.00 H new ATOM 0 HG12 ILE B 18 7.973 -3.516 17.197 1.00 0.00 H new ATOM 0 HG13 ILE B 18 8.424 -5.107 16.616 1.00 0.00 H new ATOM 0 HG21 ILE B 18 10.768 -5.860 16.656 1.00 0.00 H new ATOM 0 HG22 ILE B 18 12.014 -4.909 17.498 1.00 0.00 H new ATOM 0 HG23 ILE B 18 10.748 -5.740 18.431 1.00 0.00 H new ATOM 0 HD11 ILE B 18 7.157 -5.276 18.743 1.00 0.00 H new ATOM 0 HD12 ILE B 18 8.822 -5.865 18.963 1.00 0.00 H new ATOM 0 HD13 ILE B 18 8.365 -4.250 19.552 1.00 0.00 H new ATOM 648 N ALA B 19 11.998 -1.616 17.579 1.00 0.00 N ATOM 649 CA ALA B 19 13.324 -1.044 17.370 1.00 0.00 C ATOM 650 C ALA B 19 13.831 -0.324 18.619 1.00 0.00 C ATOM 651 O ALA B 19 14.946 -0.577 19.073 1.00 0.00 O ATOM 652 CB ALA B 19 13.298 -0.080 16.189 1.00 0.00 C ATOM 0 H ALA B 19 11.277 -1.263 16.949 1.00 0.00 H new ATOM 0 HA ALA B 19 14.009 -1.864 17.156 1.00 0.00 H new ATOM 0 HB1 ALA B 19 14.292 0.341 16.041 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.993 -0.615 15.289 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.590 0.724 16.391 1.00 0.00 H new ATOM 658 N THR B 20 13.024 0.581 19.163 1.00 0.00 N ATOM 659 CA THR B 20 13.427 1.338 20.350 1.00 0.00 C ATOM 660 C THR B 20 13.592 0.417 21.546 1.00 0.00 C ATOM 661 O THR B 20 14.252 0.768 22.522 1.00 0.00 O ATOM 662 CB THR B 20 12.384 2.426 20.679 1.00 0.00 C ATOM 663 OG1 THR B 20 12.142 2.457 22.080 1.00 0.00 O ATOM 664 CG2 THR B 20 11.073 2.125 19.959 1.00 0.00 C ATOM 0 H THR B 20 12.095 0.809 18.808 1.00 0.00 H new ATOM 0 HA THR B 20 14.384 1.813 20.134 1.00 0.00 H new ATOM 0 HB THR B 20 12.771 3.391 20.350 1.00 0.00 H new ATOM 0 HG1 THR B 20 11.576 1.697 22.331 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.342 2.898 20.196 1.00 0.00 H new ATOM 0 HG22 THR B 20 11.245 2.106 18.883 1.00 0.00 H new ATOM 0 HG23 THR B 20 10.694 1.155 20.283 1.00 0.00 H new ATOM 672 N MET B 21 13.003 -0.766 21.480 1.00 0.00 N ATOM 673 CA MET B 21 13.132 -1.721 22.571 1.00 0.00 C ATOM 674 C MET B 21 14.449 -2.481 22.455 1.00 0.00 C ATOM 675 O MET B 21 15.074 -2.787 23.468 1.00 0.00 O ATOM 676 CB MET B 21 11.937 -2.692 22.577 1.00 0.00 C ATOM 677 CG MET B 21 10.745 -2.088 23.355 1.00 0.00 C ATOM 678 SD MET B 21 10.666 -0.283 23.122 1.00 0.00 S ATOM 679 CE MET B 21 10.964 0.218 24.843 1.00 0.00 C ATOM 0 H MET B 21 12.438 -1.086 20.694 1.00 0.00 H new ATOM 0 HA MET B 21 13.133 -1.177 23.516 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.635 -2.911 21.553 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.233 -3.637 23.032 1.00 0.00 H new ATOM 0 HG2 MET B 21 9.815 -2.544 23.015 1.00 0.00 H new ATOM 0 HG3 MET B 21 10.844 -2.318 24.416 1.00 0.00 H new ATOM 0 HE1 MET B 21 11.183 1.285 24.879 1.00 0.00 H new ATOM 0 HE2 MET B 21 10.077 0.010 25.441 1.00 0.00 H new ATOM 0 HE3 MET B 21 11.811 -0.340 25.243 1.00 0.00 H new ATOM 689 N ILE B 22 14.881 -2.794 21.231 1.00 0.00 N ATOM 690 CA ILE B 22 16.132 -3.522 21.043 1.00 0.00 C ATOM 691 C ILE B 22 17.330 -2.690 21.508 1.00 0.00 C ATOM 692 O ILE B 22 18.222 -3.207 22.173 1.00 0.00 O ATOM 693 CB ILE B 22 16.299 -3.884 19.559 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.237 -4.917 19.162 1.00 0.00 C ATOM 695 CG2 ILE B 22 17.693 -4.476 19.322 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.167 -5.023 17.636 1.00 0.00 C ATOM 0 H ILE B 22 14.390 -2.558 20.369 1.00 0.00 H new ATOM 0 HA ILE B 22 16.094 -4.431 21.644 1.00 0.00 H new ATOM 0 HB ILE B 22 16.181 -2.984 18.956 1.00 0.00 H new ATOM 0 HG12 ILE B 22 15.481 -5.888 19.593 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.265 -4.626 19.561 1.00 0.00 H new ATOM 0 HG21 ILE B 22 17.806 -4.731 18.268 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.451 -3.745 19.602 1.00 0.00 H new ATOM 0 HG23 ILE B 22 17.815 -5.374 19.927 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.412 -5.758 17.357 1.00 0.00 H new ATOM 0 HD12 ILE B 22 14.903 -4.053 17.216 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.137 -5.334 17.248 1.00 0.00 H new ATOM 708 N VAL B 23 17.352 -1.405 21.149 1.00 0.00 N ATOM 709 CA VAL B 23 18.468 -0.538 21.540 1.00 0.00 C ATOM 710 C VAL B 23 18.539 -0.413 23.054 1.00 0.00 C ATOM 711 O VAL B 23 19.612 -0.419 23.639 1.00 0.00 O ATOM 712 CB VAL B 23 18.321 0.856 20.919 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.139 0.730 19.402 1.00 0.00 C ATOM 714 CG2 VAL B 23 17.110 1.565 21.529 1.00 0.00 C ATOM 0 H VAL B 23 16.625 -0.947 20.599 1.00 0.00 H new ATOM 0 HA VAL B 23 19.388 -0.992 21.172 1.00 0.00 H new ATOM 0 HB VAL B 23 19.219 1.439 21.124 1.00 0.00 H new ATOM 0 HG11 VAL B 23 18.035 1.723 18.964 1.00 0.00 H new ATOM 0 HG12 VAL B 23 19.008 0.233 18.971 1.00 0.00 H new ATOM 0 HG13 VAL B 23 17.244 0.145 19.190 1.00 0.00 H new ATOM 0 HG21 VAL B 23 17.007 2.556 21.086 1.00 0.00 H new ATOM 0 HG22 VAL B 23 16.210 0.984 21.330 1.00 0.00 H new ATOM 0 HG23 VAL B 23 17.249 1.661 22.606 1.00 0.00 H new ATOM 724 N ILE B 24 17.388 -0.290 23.686 1.00 0.00 N ATOM 725 CA ILE B 24 17.330 -0.155 25.139 1.00 0.00 C ATOM 726 C ILE B 24 18.346 -1.103 25.801 1.00 0.00 C ATOM 727 O ILE B 24 18.808 -0.864 26.915 1.00 0.00 O ATOM 728 CB ILE B 24 15.880 -0.449 25.610 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.472 0.542 26.713 1.00 0.00 C ATOM 730 CG2 ILE B 24 15.740 -1.883 26.145 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.393 1.973 26.142 1.00 0.00 C ATOM 0 H ILE B 24 16.479 -0.280 23.223 1.00 0.00 H new ATOM 0 HA ILE B 24 17.595 0.860 25.435 1.00 0.00 H new ATOM 0 HB ILE B 24 15.225 -0.336 24.746 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.507 0.255 27.130 1.00 0.00 H new ATOM 0 HG13 ILE B 24 16.195 0.507 27.528 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.712 -2.053 26.466 1.00 0.00 H new ATOM 0 HG22 ILE B 24 15.997 -2.592 25.358 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.412 -2.023 26.992 1.00 0.00 H new ATOM 0 HD11 ILE B 24 15.103 2.665 26.933 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.367 2.261 25.747 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.653 2.005 25.342 1.00 0.00 H new ATOM 743 N THR B 25 18.691 -2.165 25.078 1.00 0.00 N ATOM 744 CA THR B 25 19.665 -3.147 25.571 1.00 0.00 C ATOM 745 C THR B 25 21.096 -2.655 25.314 1.00 0.00 C ATOM 746 O THR B 25 21.990 -2.855 26.133 1.00 0.00 O ATOM 747 CB THR B 25 19.417 -4.527 24.914 1.00 0.00 C ATOM 748 OG1 THR B 25 19.712 -5.548 25.856 1.00 0.00 O ATOM 749 CG2 THR B 25 20.287 -4.729 23.662 1.00 0.00 C ATOM 0 H THR B 25 18.315 -2.371 24.152 1.00 0.00 H new ATOM 0 HA THR B 25 19.539 -3.261 26.648 1.00 0.00 H new ATOM 0 HB THR B 25 18.372 -4.573 24.608 1.00 0.00 H new ATOM 0 HG1 THR B 25 19.556 -6.425 25.448 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.083 -5.709 23.231 1.00 0.00 H new ATOM 0 HG22 THR B 25 20.056 -3.955 22.930 1.00 0.00 H new ATOM 0 HG23 THR B 25 21.340 -4.666 23.937 1.00 0.00 H new ATOM 757 N LEU B 26 21.294 -2.010 24.167 1.00 0.00 N ATOM 758 CA LEU B 26 22.605 -1.481 23.788 1.00 0.00 C ATOM 759 C LEU B 26 23.197 -0.682 24.951 1.00 0.00 C ATOM 760 O LEU B 26 24.382 -0.799 25.263 1.00 0.00 O ATOM 761 CB LEU B 26 22.407 -0.616 22.523 1.00 0.00 C ATOM 762 CG LEU B 26 23.651 0.207 22.138 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.806 1.450 23.042 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.912 -0.671 22.182 1.00 0.00 C ATOM 0 H LEU B 26 20.560 -1.840 23.479 1.00 0.00 H new ATOM 0 HA LEU B 26 23.312 -2.280 23.566 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.138 -1.264 21.689 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.569 0.062 22.684 1.00 0.00 H new ATOM 0 HG LEU B 26 23.517 0.563 21.116 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.693 2.008 22.744 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.926 2.085 22.941 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.908 1.134 24.080 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.781 -0.073 21.907 1.00 0.00 H new ATOM 0 HD22 LEU B 26 25.046 -1.065 23.189 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.804 -1.498 21.480 1.00 0.00 H new ATOM 776 N VAL B 27 22.357 0.084 25.628 1.00 0.00 N ATOM 777 CA VAL B 27 22.805 0.857 26.784 1.00 0.00 C ATOM 778 C VAL B 27 23.313 -0.089 27.867 1.00 0.00 C ATOM 779 O VAL B 27 24.362 0.137 28.474 1.00 0.00 O ATOM 780 CB VAL B 27 21.633 1.673 27.334 1.00 0.00 C ATOM 781 CG1 VAL B 27 22.083 2.470 28.570 1.00 0.00 C ATOM 782 CG2 VAL B 27 21.107 2.629 26.239 1.00 0.00 C ATOM 0 H VAL B 27 21.368 0.190 25.403 1.00 0.00 H new ATOM 0 HA VAL B 27 23.609 1.527 26.481 1.00 0.00 H new ATOM 0 HB VAL B 27 20.830 0.998 27.629 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.243 3.048 28.956 1.00 0.00 H new ATOM 0 HG12 VAL B 27 22.433 1.782 29.339 1.00 0.00 H new ATOM 0 HG13 VAL B 27 22.892 3.146 28.292 1.00 0.00 H new ATOM 0 HG21 VAL B 27 20.272 3.209 26.633 1.00 0.00 H new ATOM 0 HG22 VAL B 27 21.905 3.304 25.932 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.772 2.048 25.380 1.00 0.00 H new ATOM 792 N MET B 28 22.546 -1.146 28.093 1.00 0.00 N ATOM 793 CA MET B 28 22.895 -2.143 29.097 1.00 0.00 C ATOM 794 C MET B 28 24.175 -2.873 28.701 1.00 0.00 C ATOM 795 O MET B 28 24.998 -3.199 29.556 1.00 0.00 O ATOM 796 CB MET B 28 21.754 -3.152 29.267 1.00 0.00 C ATOM 797 CG MET B 28 20.508 -2.444 29.822 1.00 0.00 C ATOM 798 SD MET B 28 20.831 -1.823 31.495 1.00 0.00 S ATOM 799 CE MET B 28 20.437 -3.340 32.404 1.00 0.00 C ATOM 0 H MET B 28 21.677 -1.336 27.594 1.00 0.00 H new ATOM 0 HA MET B 28 23.059 -1.631 30.045 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.522 -3.617 28.309 1.00 0.00 H new ATOM 0 HB3 MET B 28 22.061 -3.950 29.943 1.00 0.00 H new ATOM 0 HG2 MET B 28 20.229 -1.618 29.168 1.00 0.00 H new ATOM 0 HG3 MET B 28 19.666 -3.136 29.840 1.00 0.00 H new ATOM 0 HE1 MET B 28 20.574 -3.170 33.472 1.00 0.00 H new ATOM 0 HE2 MET B 28 19.402 -3.621 32.211 1.00 0.00 H new ATOM 0 HE3 MET B 28 21.098 -4.142 32.077 1.00 0.00 H new ATOM 809 N LEU B 29 24.343 -3.130 27.405 1.00 0.00 N ATOM 810 CA LEU B 29 25.534 -3.823 26.920 1.00 0.00 C ATOM 811 C LEU B 29 26.685 -2.840 26.749 1.00 0.00 C ATOM 812 O LEU B 29 27.812 -3.235 26.451 1.00 0.00 O ATOM 813 CB LEU B 29 25.235 -4.485 25.572 1.00 0.00 C ATOM 814 CG LEU B 29 24.150 -5.556 25.746 1.00 0.00 C ATOM 815 CD1 LEU B 29 23.762 -6.109 24.369 1.00 0.00 C ATOM 816 CD2 LEU B 29 24.673 -6.698 26.642 1.00 0.00 C ATOM 0 H LEU B 29 23.676 -2.871 26.678 1.00 0.00 H new ATOM 0 HA LEU B 29 25.816 -4.582 27.650 1.00 0.00 H new ATOM 0 HB2 LEU B 29 24.906 -3.734 24.853 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.142 -4.936 25.169 1.00 0.00 H new ATOM 0 HG LEU B 29 23.275 -5.112 26.221 1.00 0.00 H new ATOM 0 HD11 LEU B 29 22.991 -6.871 24.487 1.00 0.00 H new ATOM 0 HD12 LEU B 29 23.380 -5.300 23.746 1.00 0.00 H new ATOM 0 HD13 LEU B 29 24.638 -6.550 23.894 1.00 0.00 H new ATOM 0 HD21 LEU B 29 23.896 -7.453 26.760 1.00 0.00 H new ATOM 0 HD22 LEU B 29 25.551 -7.150 26.180 1.00 0.00 H new ATOM 0 HD23 LEU B 29 24.942 -6.299 27.620 1.00 0.00 H new ATOM 828 N LYS B 30 26.395 -1.560 26.943 1.00 0.00 N ATOM 829 CA LYS B 30 27.417 -0.534 26.808 1.00 0.00 C ATOM 830 C LYS B 30 28.521 -0.762 27.834 1.00 0.00 C ATOM 831 O LYS B 30 29.691 -0.474 27.578 1.00 0.00 O ATOM 832 CB LYS B 30 26.801 0.857 27.005 1.00 0.00 C ATOM 833 CG LYS B 30 27.703 1.922 26.373 1.00 0.00 C ATOM 834 CD LYS B 30 27.030 3.291 26.479 1.00 0.00 C ATOM 835 CE LYS B 30 27.936 4.356 25.856 1.00 0.00 C ATOM 836 NZ LYS B 30 27.276 5.688 25.950 1.00 0.00 N ATOM 0 H LYS B 30 25.469 -1.211 27.192 1.00 0.00 H new ATOM 0 HA LYS B 30 27.843 -0.592 25.806 1.00 0.00 H new ATOM 0 HB2 LYS B 30 25.810 0.893 26.553 1.00 0.00 H new ATOM 0 HB3 LYS B 30 26.674 1.060 28.068 1.00 0.00 H new ATOM 0 HG2 LYS B 30 28.669 1.940 26.877 1.00 0.00 H new ATOM 0 HG3 LYS B 30 27.893 1.679 25.328 1.00 0.00 H new ATOM 0 HD2 LYS B 30 26.067 3.275 25.969 1.00 0.00 H new ATOM 0 HD3 LYS B 30 26.834 3.531 27.524 1.00 0.00 H new ATOM 0 HE2 LYS B 30 28.897 4.377 26.371 1.00 0.00 H new ATOM 0 HE3 LYS B 30 28.138 4.112 24.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 27.892 6.411 25.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 26.370 5.663 25.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 27.105 5.921 26.949 1.00 0.00 H new ATOM 850 N LYS B 31 28.143 -1.294 28.998 1.00 0.00 N ATOM 851 CA LYS B 31 29.105 -1.576 30.064 1.00 0.00 C ATOM 852 C LYS B 31 29.389 -3.076 30.136 1.00 0.00 C ATOM 853 O LYS B 31 29.564 -3.633 31.219 1.00 0.00 O ATOM 854 CB LYS B 31 28.547 -1.095 31.405 1.00 0.00 C ATOM 855 CG LYS B 31 28.453 0.432 31.398 1.00 0.00 C ATOM 856 CD LYS B 31 27.855 0.916 32.719 1.00 0.00 C ATOM 857 CE LYS B 31 27.691 2.436 32.677 1.00 0.00 C ATOM 858 NZ LYS B 31 29.034 3.080 32.645 1.00 0.00 N ATOM 0 H LYS B 31 27.179 -1.538 29.226 1.00 0.00 H new ATOM 0 HA LYS B 31 30.034 -1.049 29.847 1.00 0.00 H new ATOM 0 HB2 LYS B 31 27.563 -1.530 31.579 1.00 0.00 H new ATOM 0 HB3 LYS B 31 29.191 -1.427 32.219 1.00 0.00 H new ATOM 0 HG2 LYS B 31 29.442 0.866 31.254 1.00 0.00 H new ATOM 0 HG3 LYS B 31 27.835 0.764 30.564 1.00 0.00 H new ATOM 0 HD2 LYS B 31 26.889 0.440 32.890 1.00 0.00 H new ATOM 0 HD3 LYS B 31 28.502 0.632 33.549 1.00 0.00 H new ATOM 0 HE2 LYS B 31 27.116 2.726 31.798 1.00 0.00 H new ATOM 0 HE3 LYS B 31 27.133 2.777 33.549 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 28.942 4.087 32.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 29.659 2.614 33.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 29.440 2.989 31.692 1.00 0.00 H new ATOM 872 N LYS B 32 29.439 -3.719 28.973 1.00 0.00 N ATOM 873 CA LYS B 32 29.708 -5.151 28.912 1.00 0.00 C ATOM 874 C LYS B 32 30.938 -5.501 29.744 1.00 0.00 C ATOM 875 O LYS B 32 31.542 -6.524 29.471 1.00 0.00 O ATOM 876 CB LYS B 32 29.925 -5.583 27.459 1.00 0.00 C ATOM 877 CG LYS B 32 31.135 -4.849 26.874 1.00 0.00 C ATOM 878 CD LYS B 32 31.299 -5.230 25.401 1.00 0.00 C ATOM 879 CE LYS B 32 32.581 -4.602 24.851 1.00 0.00 C ATOM 880 NZ LYS B 32 32.443 -3.119 24.842 1.00 0.00 N ATOM 0 H LYS B 32 29.298 -3.274 28.066 1.00 0.00 H new ATOM 0 HA LYS B 32 28.847 -5.681 29.320 1.00 0.00 H new ATOM 0 HB2 LYS B 32 30.083 -6.660 27.410 1.00 0.00 H new ATOM 0 HB3 LYS B 32 29.035 -5.365 26.868 1.00 0.00 H new ATOM 0 HG2 LYS B 32 31.001 -3.771 26.969 1.00 0.00 H new ATOM 0 HG3 LYS B 32 32.036 -5.109 27.430 1.00 0.00 H new ATOM 0 HD2 LYS B 32 31.339 -6.314 25.297 1.00 0.00 H new ATOM 0 HD3 LYS B 32 30.438 -4.886 24.827 1.00 0.00 H new ATOM 0 HE2 LYS B 32 33.434 -4.895 25.463 1.00 0.00 H new ATOM 0 HE3 LYS B 32 32.773 -4.966 23.842 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 33.198 -2.704 24.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 31.517 -2.859 24.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 32.517 -2.758 25.814 1.00 0.00 H new