USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -147:sc= -0.144 (180deg=-0.993) USER MOD Single : A 20 THR OG1 : rot 115:sc= -1.9 USER MOD Single : A 21 MET CE :methyl 163:sc=-0.00888 (180deg=-0.06) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc=-0.00954 (180deg=-0.321) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -147:sc= -0.169 (180deg=-0.997) USER MOD Single : B 20 THR OG1 : rot 118:sc= -1.91 USER MOD Single : B 21 MET CE :methyl 164:sc=-0.00948 (180deg=-0.0613) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -164:sc=-0.00729 (180deg=-0.303) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 2.555 1.160 -4.345 1.00 0.00 N ATOM 2 CA LYS A 5 2.817 2.191 -3.302 1.00 0.00 C ATOM 3 C LYS A 5 4.085 1.828 -2.534 1.00 0.00 C ATOM 4 O LYS A 5 4.034 1.497 -1.350 1.00 0.00 O ATOM 5 CB LYS A 5 1.624 2.260 -2.346 1.00 0.00 C ATOM 6 CG LYS A 5 0.413 2.837 -3.082 1.00 0.00 C ATOM 7 CD LYS A 5 -0.782 2.901 -2.129 1.00 0.00 C ATOM 8 CE LYS A 5 -1.990 3.484 -2.864 1.00 0.00 C ATOM 9 NZ LYS A 5 -3.156 3.537 -1.939 1.00 0.00 N ATOM 0 HA LYS A 5 2.954 3.165 -3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.392 1.265 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.870 2.882 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.644 3.833 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.170 2.218 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.017 1.904 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.538 3.517 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.758 4.484 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.230 2.872 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.978 3.933 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.381 2.577 -1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.924 4.138 -1.122 1.00 0.00 H new ATOM 22 N GLY A 6 5.221 1.896 -3.221 1.00 0.00 N ATOM 23 CA GLY A 6 6.504 1.577 -2.605 1.00 0.00 C ATOM 24 C GLY A 6 6.833 2.561 -1.487 1.00 0.00 C ATOM 25 O GLY A 6 7.479 2.203 -0.502 1.00 0.00 O ATOM 0 H GLY A 6 5.279 2.168 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.478 0.563 -2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.290 1.602 -3.360 1.00 0.00 H new ATOM 29 N ALA A 7 6.395 3.804 -1.653 1.00 0.00 N ATOM 30 CA ALA A 7 6.658 4.838 -0.658 1.00 0.00 C ATOM 31 C ALA A 7 6.367 4.328 0.751 1.00 0.00 C ATOM 32 O ALA A 7 6.882 4.866 1.731 1.00 0.00 O ATOM 33 CB ALA A 7 5.794 6.068 -0.943 1.00 0.00 C ATOM 0 H ALA A 7 5.859 4.119 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 7 7.712 5.107 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.996 6.836 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.029 6.456 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.741 5.790 -0.902 1.00 0.00 H new ATOM 39 N ILE A 8 5.547 3.287 0.850 1.00 0.00 N ATOM 40 CA ILE A 8 5.213 2.723 2.154 1.00 0.00 C ATOM 41 C ILE A 8 6.466 2.167 2.814 1.00 0.00 C ATOM 42 O ILE A 8 6.687 2.359 4.011 1.00 0.00 O ATOM 43 CB ILE A 8 4.182 1.600 2.004 1.00 0.00 C ATOM 44 CG1 ILE A 8 2.851 2.185 1.527 1.00 0.00 C ATOM 45 CG2 ILE A 8 3.967 0.906 3.358 1.00 0.00 C ATOM 46 CD1 ILE A 8 1.923 1.050 1.087 1.00 0.00 C ATOM 0 H ILE A 8 5.107 2.822 0.056 1.00 0.00 H new ATOM 0 HA ILE A 8 4.791 3.514 2.774 1.00 0.00 H new ATOM 0 HB ILE A 8 4.549 0.876 1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.386 2.759 2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.020 2.873 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.233 0.108 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.911 0.485 3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.605 1.632 4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.975 1.466 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.388 0.495 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.744 0.380 1.928 1.00 0.00 H new ATOM 58 N ILE A 9 7.275 1.462 2.032 1.00 0.00 N ATOM 59 CA ILE A 9 8.490 0.867 2.563 1.00 0.00 C ATOM 60 C ILE A 9 9.416 1.967 3.099 1.00 0.00 C ATOM 61 O ILE A 9 10.093 1.791 4.107 1.00 0.00 O ATOM 62 CB ILE A 9 9.188 0.024 1.471 1.00 0.00 C ATOM 63 CG1 ILE A 9 9.999 -1.117 2.119 1.00 0.00 C ATOM 64 CG2 ILE A 9 10.136 0.895 0.642 1.00 0.00 C ATOM 65 CD1 ILE A 9 9.063 -2.149 2.781 1.00 0.00 C ATOM 0 H ILE A 9 7.113 1.291 1.040 1.00 0.00 H new ATOM 0 HA ILE A 9 8.239 0.202 3.390 1.00 0.00 H new ATOM 0 HB ILE A 9 8.418 -0.392 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.612 -1.608 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.680 -0.707 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.618 0.284 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.570 1.694 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.896 1.328 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.658 -2.944 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.469 -1.659 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.400 -2.574 2.028 1.00 0.00 H new ATOM 77 N GLY A 10 9.428 3.099 2.404 1.00 0.00 N ATOM 78 CA GLY A 10 10.263 4.231 2.805 1.00 0.00 C ATOM 79 C GLY A 10 9.965 4.646 4.248 1.00 0.00 C ATOM 80 O GLY A 10 10.814 4.526 5.129 1.00 0.00 O ATOM 0 H GLY A 10 8.873 3.259 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.315 3.964 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.086 5.073 2.136 1.00 0.00 H new ATOM 84 N LEU A 11 8.756 5.150 4.471 1.00 0.00 N ATOM 85 CA LEU A 11 8.346 5.602 5.801 1.00 0.00 C ATOM 86 C LEU A 11 8.403 4.456 6.810 1.00 0.00 C ATOM 87 O LEU A 11 8.691 4.668 7.986 1.00 0.00 O ATOM 88 CB LEU A 11 6.917 6.174 5.741 1.00 0.00 C ATOM 89 CG LEU A 11 6.946 7.644 5.288 1.00 0.00 C ATOM 90 CD1 LEU A 11 7.570 8.537 6.384 1.00 0.00 C ATOM 91 CD2 LEU A 11 7.757 7.763 3.990 1.00 0.00 C ATOM 0 H LEU A 11 8.042 5.257 3.751 1.00 0.00 H new ATOM 0 HA LEU A 11 9.037 6.380 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.312 5.586 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.447 6.098 6.721 1.00 0.00 H new ATOM 0 HG LEU A 11 5.924 7.980 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.582 9.573 6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.979 8.460 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.590 8.209 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.778 8.804 3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.776 7.416 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.294 7.153 3.214 1.00 0.00 H new ATOM 103 N MET A 12 8.130 3.248 6.347 1.00 0.00 N ATOM 104 CA MET A 12 8.154 2.083 7.196 1.00 0.00 C ATOM 105 C MET A 12 9.542 1.878 7.805 1.00 0.00 C ATOM 106 O MET A 12 9.712 1.936 9.022 1.00 0.00 O ATOM 107 CB MET A 12 7.772 0.911 6.305 1.00 0.00 C ATOM 108 CG MET A 12 7.893 -0.416 7.026 1.00 0.00 C ATOM 109 SD MET A 12 6.722 -0.485 8.408 1.00 0.00 S ATOM 110 CE MET A 12 7.905 -0.694 9.766 1.00 0.00 C ATOM 0 H MET A 12 7.887 3.054 5.375 1.00 0.00 H new ATOM 0 HA MET A 12 7.464 2.187 8.033 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.748 1.041 5.955 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.412 0.903 5.423 1.00 0.00 H new ATOM 0 HG2 MET A 12 7.698 -1.234 6.333 1.00 0.00 H new ATOM 0 HG3 MET A 12 8.910 -0.547 7.395 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.458 -1.310 10.547 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.806 -1.180 9.392 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.163 0.282 10.177 1.00 0.00 H new ATOM 120 N VAL A 13 10.524 1.623 6.952 1.00 0.00 N ATOM 121 CA VAL A 13 11.889 1.386 7.411 1.00 0.00 C ATOM 122 C VAL A 13 12.528 2.643 7.993 1.00 0.00 C ATOM 123 O VAL A 13 13.492 2.553 8.750 1.00 0.00 O ATOM 124 CB VAL A 13 12.749 0.854 6.266 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.057 -0.363 5.646 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.953 1.948 5.205 1.00 0.00 C ATOM 0 H VAL A 13 10.403 1.575 5.940 1.00 0.00 H new ATOM 0 HA VAL A 13 11.835 0.642 8.206 1.00 0.00 H new ATOM 0 HB VAL A 13 13.726 0.560 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.664 -0.749 4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.935 -1.137 6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.079 -0.070 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.567 1.558 4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.985 2.258 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.451 2.805 5.658 1.00 0.00 H new ATOM 136 N GLY A 14 12.006 3.813 7.645 1.00 0.00 N ATOM 137 CA GLY A 14 12.560 5.062 8.164 1.00 0.00 C ATOM 138 C GLY A 14 12.035 5.356 9.569 1.00 0.00 C ATOM 139 O GLY A 14 12.775 5.831 10.431 1.00 0.00 O ATOM 0 H GLY A 14 11.212 3.926 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.648 5.000 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.300 5.884 7.496 1.00 0.00 H new ATOM 143 N GLY A 15 10.749 5.083 9.789 1.00 0.00 N ATOM 144 CA GLY A 15 10.145 5.340 11.090 1.00 0.00 C ATOM 145 C GLY A 15 10.977 4.697 12.190 1.00 0.00 C ATOM 146 O GLY A 15 11.367 5.352 13.154 1.00 0.00 O ATOM 0 H GLY A 15 10.116 4.690 9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.072 6.414 11.260 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.130 4.944 11.113 1.00 0.00 H new ATOM 150 N VAL A 16 11.216 3.403 12.046 1.00 0.00 N ATOM 151 CA VAL A 16 11.972 2.665 13.046 1.00 0.00 C ATOM 152 C VAL A 16 13.208 3.449 13.485 1.00 0.00 C ATOM 153 O VAL A 16 13.444 3.611 14.676 1.00 0.00 O ATOM 154 CB VAL A 16 12.374 1.287 12.502 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.166 0.343 12.530 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.861 1.421 11.059 1.00 0.00 C ATOM 0 H VAL A 16 10.900 2.845 11.253 1.00 0.00 H new ATOM 0 HA VAL A 16 11.335 2.523 13.919 1.00 0.00 H new ATOM 0 HB VAL A 16 13.172 0.884 13.125 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.458 -0.633 12.143 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.812 0.235 13.555 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.368 0.755 11.912 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.145 0.440 10.678 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.062 1.832 10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.724 2.086 11.026 1.00 0.00 H new ATOM 166 N VAL A 17 13.991 3.931 12.535 1.00 0.00 N ATOM 167 CA VAL A 17 15.193 4.688 12.872 1.00 0.00 C ATOM 168 C VAL A 17 14.845 5.944 13.673 1.00 0.00 C ATOM 169 O VAL A 17 15.513 6.275 14.649 1.00 0.00 O ATOM 170 CB VAL A 17 15.927 5.096 11.601 1.00 0.00 C ATOM 171 CG1 VAL A 17 17.144 5.945 11.975 1.00 0.00 C ATOM 172 CG2 VAL A 17 16.386 3.845 10.847 1.00 0.00 C ATOM 0 H VAL A 17 13.823 3.816 11.536 1.00 0.00 H new ATOM 0 HA VAL A 17 15.832 4.048 13.480 1.00 0.00 H new ATOM 0 HB VAL A 17 15.259 5.674 10.962 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.674 6.240 11.069 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.815 6.836 12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.811 5.364 12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.911 4.140 9.938 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.056 3.264 11.480 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.518 3.239 10.585 1.00 0.00 H new ATOM 182 N ILE A 18 13.799 6.639 13.258 1.00 0.00 N ATOM 183 CA ILE A 18 13.397 7.844 13.973 1.00 0.00 C ATOM 184 C ILE A 18 12.984 7.477 15.397 1.00 0.00 C ATOM 185 O ILE A 18 13.434 8.081 16.370 1.00 0.00 O ATOM 186 CB ILE A 18 12.233 8.528 13.255 1.00 0.00 C ATOM 187 CG1 ILE A 18 12.706 9.036 11.891 1.00 0.00 C ATOM 188 CG2 ILE A 18 11.741 9.709 14.097 1.00 0.00 C ATOM 189 CD1 ILE A 18 11.498 9.478 11.064 1.00 0.00 C ATOM 0 H ILE A 18 13.224 6.400 12.450 1.00 0.00 H new ATOM 0 HA ILE A 18 14.240 8.535 14.004 1.00 0.00 H new ATOM 0 HB ILE A 18 11.420 7.816 13.116 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.396 9.870 12.021 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.251 8.250 11.367 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.911 10.198 13.587 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.407 9.348 15.070 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.554 10.422 14.234 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.835 9.840 10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.825 8.633 10.923 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.972 10.277 11.586 1.00 0.00 H new ATOM 201 N ALA A 19 12.096 6.497 15.489 1.00 0.00 N ATOM 202 CA ALA A 19 11.568 6.044 16.776 1.00 0.00 C ATOM 203 C ALA A 19 12.669 5.543 17.705 1.00 0.00 C ATOM 204 O ALA A 19 12.606 5.748 18.917 1.00 0.00 O ATOM 205 CB ALA A 19 10.564 4.917 16.544 1.00 0.00 C ATOM 0 H ALA A 19 11.722 5.995 14.684 1.00 0.00 H new ATOM 0 HA ALA A 19 11.088 6.898 17.253 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.170 4.578 17.502 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.746 5.281 15.923 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.059 4.086 16.041 1.00 0.00 H new ATOM 211 N THR A 20 13.670 4.883 17.141 1.00 0.00 N ATOM 212 CA THR A 20 14.769 4.355 17.937 1.00 0.00 C ATOM 213 C THR A 20 15.726 5.472 18.327 1.00 0.00 C ATOM 214 O THR A 20 16.510 5.336 19.266 1.00 0.00 O ATOM 215 CB THR A 20 15.481 3.239 17.152 1.00 0.00 C ATOM 216 OG1 THR A 20 15.804 2.175 18.026 1.00 0.00 O ATOM 217 CG2 THR A 20 16.753 3.745 16.455 1.00 0.00 C ATOM 0 H THR A 20 13.744 4.701 16.140 1.00 0.00 H new ATOM 0 HA THR A 20 14.380 3.926 18.861 1.00 0.00 H new ATOM 0 HB THR A 20 14.798 2.891 16.377 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.295 1.377 17.772 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.222 2.924 15.913 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.493 4.539 15.755 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.447 4.131 17.201 1.00 0.00 H new ATOM 225 N MET A 21 15.643 6.582 17.607 1.00 0.00 N ATOM 226 CA MET A 21 16.487 7.724 17.890 1.00 0.00 C ATOM 227 C MET A 21 15.899 8.512 19.058 1.00 0.00 C ATOM 228 O MET A 21 16.635 9.097 19.852 1.00 0.00 O ATOM 229 CB MET A 21 16.598 8.602 16.624 1.00 0.00 C ATOM 230 CG MET A 21 17.990 8.459 15.988 1.00 0.00 C ATOM 231 SD MET A 21 18.399 6.700 15.780 1.00 0.00 S ATOM 232 CE MET A 21 19.907 6.641 16.792 1.00 0.00 C ATOM 0 H MET A 21 15.000 6.712 16.826 1.00 0.00 H new ATOM 0 HA MET A 21 17.488 7.394 18.169 1.00 0.00 H new ATOM 0 HB2 MET A 21 15.832 8.312 15.905 1.00 0.00 H new ATOM 0 HB3 MET A 21 16.415 9.645 16.881 1.00 0.00 H new ATOM 0 HG2 MET A 21 18.011 8.963 15.022 1.00 0.00 H new ATOM 0 HG3 MET A 21 18.738 8.943 16.616 1.00 0.00 H new ATOM 0 HE1 MET A 21 20.140 5.605 17.037 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.736 7.078 16.235 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.750 7.205 17.711 1.00 0.00 H new ATOM 242 N ILE A 22 14.570 8.520 19.167 1.00 0.00 N ATOM 243 CA ILE A 22 13.926 9.240 20.257 1.00 0.00 C ATOM 244 C ILE A 22 14.292 8.613 21.596 1.00 0.00 C ATOM 245 O ILE A 22 14.631 9.318 22.539 1.00 0.00 O ATOM 246 CB ILE A 22 12.402 9.216 20.089 1.00 0.00 C ATOM 247 CG1 ILE A 22 12.014 10.042 18.859 1.00 0.00 C ATOM 248 CG2 ILE A 22 11.737 9.816 21.335 1.00 0.00 C ATOM 249 CD1 ILE A 22 10.536 9.814 18.536 1.00 0.00 C ATOM 0 H ILE A 22 13.933 8.046 18.527 1.00 0.00 H new ATOM 0 HA ILE A 22 14.275 10.272 20.233 1.00 0.00 H new ATOM 0 HB ILE A 22 12.068 8.187 19.960 1.00 0.00 H new ATOM 0 HG12 ILE A 22 12.197 11.100 19.046 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.631 9.757 18.007 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.654 9.798 21.214 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.014 9.231 22.212 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.070 10.846 21.465 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.260 10.402 17.661 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.367 8.757 18.331 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.926 10.121 19.386 1.00 0.00 H new ATOM 261 N VAL A 23 14.217 7.290 21.683 1.00 0.00 N ATOM 262 CA VAL A 23 14.542 6.606 22.929 1.00 0.00 C ATOM 263 C VAL A 23 16.012 6.770 23.251 1.00 0.00 C ATOM 264 O VAL A 23 16.389 6.909 24.413 1.00 0.00 O ATOM 265 CB VAL A 23 14.206 5.126 22.829 1.00 0.00 C ATOM 266 CG1 VAL A 23 12.695 4.964 22.671 1.00 0.00 C ATOM 267 CG2 VAL A 23 14.925 4.533 21.623 1.00 0.00 C ATOM 0 H VAL A 23 13.938 6.677 20.917 1.00 0.00 H new ATOM 0 HA VAL A 23 13.948 7.052 23.727 1.00 0.00 H new ATOM 0 HB VAL A 23 14.528 4.606 23.731 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.448 3.905 22.599 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.190 5.396 23.535 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.367 5.475 21.766 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.689 3.472 21.544 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.600 5.045 20.717 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.001 4.658 21.744 1.00 0.00 H new ATOM 277 N ILE A 24 16.848 6.780 22.218 1.00 0.00 N ATOM 278 CA ILE A 24 18.278 6.960 22.439 1.00 0.00 C ATOM 279 C ILE A 24 18.476 8.168 23.362 1.00 0.00 C ATOM 280 O ILE A 24 19.510 8.318 24.014 1.00 0.00 O ATOM 281 CB ILE A 24 19.003 7.140 21.072 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.212 6.191 20.982 1.00 0.00 C ATOM 283 CG2 ILE A 24 19.495 8.583 20.867 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.745 4.724 21.058 1.00 0.00 C ATOM 0 H ILE A 24 16.570 6.669 21.243 1.00 0.00 H new ATOM 0 HA ILE A 24 18.712 6.083 22.919 1.00 0.00 H new ATOM 0 HB ILE A 24 18.277 6.906 20.294 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.748 6.361 20.049 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.909 6.401 21.793 1.00 0.00 H new ATOM 0 HG21 ILE A 24 19.994 8.663 19.902 1.00 0.00 H new ATOM 0 HG22 ILE A 24 18.645 9.265 20.894 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.195 8.845 21.660 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.609 4.063 20.993 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.229 4.555 22.003 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.066 4.515 20.231 1.00 0.00 H new ATOM 296 N THR A 25 17.447 9.012 23.409 1.00 0.00 N ATOM 297 CA THR A 25 17.470 10.201 24.254 1.00 0.00 C ATOM 298 C THR A 25 17.275 9.822 25.725 1.00 0.00 C ATOM 299 O THR A 25 17.929 10.383 26.603 1.00 0.00 O ATOM 300 CB THR A 25 16.409 11.222 23.781 1.00 0.00 C ATOM 301 OG1 THR A 25 16.943 12.531 23.904 1.00 0.00 O ATOM 302 CG2 THR A 25 15.113 11.131 24.607 1.00 0.00 C ATOM 0 H THR A 25 16.588 8.893 22.872 1.00 0.00 H new ATOM 0 HA THR A 25 18.447 10.675 24.165 1.00 0.00 H new ATOM 0 HB THR A 25 16.163 10.995 22.744 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.278 13.185 23.605 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.396 11.866 24.241 1.00 0.00 H new ATOM 0 HG22 THR A 25 14.690 10.131 24.511 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.335 11.332 25.655 1.00 0.00 H new ATOM 310 N LEU A 26 16.371 8.875 25.995 1.00 0.00 N ATOM 311 CA LEU A 26 16.104 8.447 27.365 1.00 0.00 C ATOM 312 C LEU A 26 17.398 7.986 28.028 1.00 0.00 C ATOM 313 O LEU A 26 17.555 8.058 29.246 1.00 0.00 O ATOM 314 CB LEU A 26 15.033 7.322 27.325 1.00 0.00 C ATOM 315 CG LEU A 26 15.182 6.267 28.456 1.00 0.00 C ATOM 316 CD1 LEU A 26 16.405 5.343 28.215 1.00 0.00 C ATOM 317 CD2 LEU A 26 15.249 6.936 29.858 1.00 0.00 C ATOM 0 H LEU A 26 15.817 8.395 25.286 1.00 0.00 H new ATOM 0 HA LEU A 26 15.718 9.274 27.962 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.043 7.774 27.392 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.088 6.816 26.361 1.00 0.00 H new ATOM 0 HG LEU A 26 14.289 5.643 28.434 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.478 4.618 29.025 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.283 4.818 27.268 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.314 5.944 28.182 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.353 6.167 30.623 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.106 7.608 29.900 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.335 7.503 30.035 1.00 0.00 H new ATOM 329 N VAL A 27 18.337 7.556 27.204 1.00 0.00 N ATOM 330 CA VAL A 27 19.638 7.126 27.698 1.00 0.00 C ATOM 331 C VAL A 27 20.386 8.319 28.286 1.00 0.00 C ATOM 332 O VAL A 27 20.944 8.250 29.381 1.00 0.00 O ATOM 333 CB VAL A 27 20.447 6.540 26.543 1.00 0.00 C ATOM 334 CG1 VAL A 27 21.702 5.849 27.077 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.579 5.531 25.794 1.00 0.00 C ATOM 0 H VAL A 27 18.226 7.494 26.192 1.00 0.00 H new ATOM 0 HA VAL A 27 19.500 6.371 28.472 1.00 0.00 H new ATOM 0 HB VAL A 27 20.751 7.340 25.868 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.271 5.435 26.245 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.316 6.573 27.612 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.414 5.046 27.755 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.147 5.106 24.966 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.278 4.734 26.474 1.00 0.00 H new ATOM 0 HG23 VAL A 27 18.692 6.032 25.406 1.00 0.00 H new ATOM 345 N MET A 28 20.370 9.412 27.536 1.00 0.00 N ATOM 346 CA MET A 28 21.024 10.644 27.959 1.00 0.00 C ATOM 347 C MET A 28 20.295 11.245 29.152 1.00 0.00 C ATOM 348 O MET A 28 20.909 11.856 30.026 1.00 0.00 O ATOM 349 CB MET A 28 21.066 11.648 26.800 1.00 0.00 C ATOM 350 CG MET A 28 22.169 11.246 25.815 1.00 0.00 C ATOM 351 SD MET A 28 22.226 12.431 24.448 1.00 0.00 S ATOM 352 CE MET A 28 23.385 11.512 23.403 1.00 0.00 C ATOM 0 H MET A 28 19.909 9.471 26.628 1.00 0.00 H new ATOM 0 HA MET A 28 22.047 10.412 28.256 1.00 0.00 H new ATOM 0 HB2 MET A 28 20.102 11.674 26.292 1.00 0.00 H new ATOM 0 HB3 MET A 28 21.252 12.652 27.181 1.00 0.00 H new ATOM 0 HG2 MET A 28 23.132 11.217 26.324 1.00 0.00 H new ATOM 0 HG3 MET A 28 21.980 10.243 25.432 1.00 0.00 H new ATOM 0 HE1 MET A 28 23.568 12.070 22.485 1.00 0.00 H new ATOM 0 HE2 MET A 28 24.325 11.373 23.937 1.00 0.00 H new ATOM 0 HE3 MET A 28 22.960 10.539 23.157 1.00 0.00 H new ATOM 362 N LEU A 29 18.979 11.064 29.181 1.00 0.00 N ATOM 363 CA LEU A 29 18.172 11.592 30.275 1.00 0.00 C ATOM 364 C LEU A 29 18.214 10.644 31.467 1.00 0.00 C ATOM 365 O LEU A 29 17.652 10.934 32.524 1.00 0.00 O ATOM 366 CB LEU A 29 16.722 11.782 29.825 1.00 0.00 C ATOM 367 CG LEU A 29 16.665 12.776 28.657 1.00 0.00 C ATOM 368 CD1 LEU A 29 15.221 12.874 28.154 1.00 0.00 C ATOM 369 CD2 LEU A 29 17.152 14.164 29.117 1.00 0.00 C ATOM 0 H LEU A 29 18.452 10.561 28.467 1.00 0.00 H new ATOM 0 HA LEU A 29 18.584 12.557 30.569 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.298 10.825 29.521 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.119 12.148 30.656 1.00 0.00 H new ATOM 0 HG LEU A 29 17.313 12.427 27.853 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.172 13.579 27.324 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.885 11.893 27.818 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.577 13.220 28.962 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.107 14.861 28.280 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.514 14.524 29.924 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.180 14.090 29.473 1.00 0.00 H new ATOM 381 N LYS A 30 18.889 9.512 31.292 1.00 0.00 N ATOM 382 CA LYS A 30 19.002 8.533 32.365 1.00 0.00 C ATOM 383 C LYS A 30 19.727 9.145 33.558 1.00 0.00 C ATOM 384 O LYS A 30 19.388 8.871 34.710 1.00 0.00 O ATOM 385 CB LYS A 30 19.764 7.294 31.875 1.00 0.00 C ATOM 386 CG LYS A 30 19.499 6.117 32.820 1.00 0.00 C ATOM 387 CD LYS A 30 20.155 4.851 32.265 1.00 0.00 C ATOM 388 CE LYS A 30 19.851 3.677 33.198 1.00 0.00 C ATOM 389 NZ LYS A 30 20.479 2.435 32.663 1.00 0.00 N ATOM 0 H LYS A 30 19.361 9.252 30.426 1.00 0.00 H new ATOM 0 HA LYS A 30 17.999 8.235 32.671 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.449 7.038 30.863 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.832 7.505 31.833 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.894 6.338 33.811 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.426 5.963 32.932 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.780 4.642 31.263 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.232 4.993 32.179 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.231 3.887 34.198 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.773 3.541 33.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.271 1.639 33.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.096 2.232 31.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.509 2.567 32.599 1.00 0.00 H new ATOM 403 N LYS A 31 20.725 9.983 33.275 1.00 0.00 N ATOM 404 CA LYS A 31 21.495 10.640 34.334 1.00 0.00 C ATOM 405 C LYS A 31 20.896 12.006 34.665 1.00 0.00 C ATOM 406 O LYS A 31 21.580 12.883 35.191 1.00 0.00 O ATOM 407 CB LYS A 31 22.949 10.815 33.893 1.00 0.00 C ATOM 408 CG LYS A 31 23.615 9.440 33.779 1.00 0.00 C ATOM 409 CD LYS A 31 25.111 9.602 33.478 1.00 0.00 C ATOM 410 CE LYS A 31 25.314 10.129 32.053 1.00 0.00 C ATOM 411 NZ LYS A 31 26.736 9.928 31.654 1.00 0.00 N ATOM 0 H LYS A 31 21.019 10.222 32.328 1.00 0.00 H new ATOM 0 HA LYS A 31 21.458 10.012 35.224 1.00 0.00 H new ATOM 0 HB2 LYS A 31 22.990 11.332 32.934 1.00 0.00 H new ATOM 0 HB3 LYS A 31 23.487 11.433 34.612 1.00 0.00 H new ATOM 0 HG2 LYS A 31 23.481 8.884 34.707 1.00 0.00 H new ATOM 0 HG3 LYS A 31 23.138 8.861 32.989 1.00 0.00 H new ATOM 0 HD2 LYS A 31 25.560 10.289 34.195 1.00 0.00 H new ATOM 0 HD3 LYS A 31 25.618 8.644 33.594 1.00 0.00 H new ATOM 0 HE2 LYS A 31 24.653 9.607 31.362 1.00 0.00 H new ATOM 0 HE3 LYS A 31 25.056 11.187 32.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 26.879 10.284 30.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 27.357 10.445 32.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 26.966 8.914 31.687 1.00 0.00 H new ATOM 425 N LYS A 32 19.609 12.174 34.359 1.00 0.00 N ATOM 426 CA LYS A 32 18.913 13.432 34.633 1.00 0.00 C ATOM 427 C LYS A 32 17.473 13.161 35.056 1.00 0.00 C ATOM 428 O LYS A 32 16.700 12.736 34.213 1.00 0.00 O ATOM 429 CB LYS A 32 18.917 14.318 33.388 1.00 0.00 C ATOM 430 CG LYS A 32 20.343 14.787 33.087 1.00 0.00 C ATOM 431 CD LYS A 32 20.338 15.664 31.834 1.00 0.00 C ATOM 432 CE LYS A 32 21.771 16.080 31.496 1.00 0.00 C ATOM 433 NZ LYS A 32 22.289 16.984 32.563 1.00 0.00 N ATOM 0 H LYS A 32 19.029 11.457 33.923 1.00 0.00 H new ATOM 0 HA LYS A 32 19.434 13.943 35.443 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.519 13.766 32.537 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.266 15.179 33.542 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.739 15.347 33.934 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.996 13.927 32.939 1.00 0.00 H new ATOM 0 HD2 LYS A 32 19.899 15.119 30.998 1.00 0.00 H new ATOM 0 HD3 LYS A 32 19.721 16.547 31.998 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.407 15.199 31.410 1.00 0.00 H new ATOM 0 HE3 LYS A 32 21.796 16.586 30.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.126 17.492 32.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 21.552 17.670 32.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.550 16.422 33.398 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -5.747 -1.234 2.503 1.00 0.00 N ATOM 449 CA LYS B 5 -4.672 -2.023 3.168 1.00 0.00 C ATOM 450 C LYS B 5 -4.301 -1.362 4.493 1.00 0.00 C ATOM 451 O LYS B 5 -3.199 -0.837 4.651 1.00 0.00 O ATOM 452 CB LYS B 5 -3.449 -2.085 2.249 1.00 0.00 C ATOM 453 CG LYS B 5 -3.774 -2.941 1.024 1.00 0.00 C ATOM 454 CD LYS B 5 -2.555 -2.998 0.102 1.00 0.00 C ATOM 455 CE LYS B 5 -2.880 -3.859 -1.120 1.00 0.00 C ATOM 456 NZ LYS B 5 -1.695 -3.909 -2.021 1.00 0.00 N ATOM 0 HA LYS B 5 -5.024 -3.036 3.364 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -3.163 -1.080 1.938 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -2.599 -2.507 2.785 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.055 -3.947 1.335 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -4.627 -2.522 0.491 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -2.276 -1.992 -0.212 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -1.701 -3.414 0.636 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.154 -4.866 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -3.737 -3.446 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -1.915 -4.494 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -1.453 -2.946 -2.330 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -0.888 -4.322 -1.511 1.00 0.00 H new ATOM 469 N GLY B 6 -5.233 -1.396 5.439 1.00 0.00 N ATOM 470 CA GLY B 6 -5.005 -0.803 6.752 1.00 0.00 C ATOM 471 C GLY B 6 -3.879 -1.522 7.490 1.00 0.00 C ATOM 472 O GLY B 6 -3.146 -0.913 8.269 1.00 0.00 O ATOM 0 H GLY B 6 -6.150 -1.826 5.322 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.755 0.252 6.640 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.921 -0.853 7.341 1.00 0.00 H new ATOM 476 N ALA B 7 -3.758 -2.823 7.248 1.00 0.00 N ATOM 477 CA ALA B 7 -2.728 -3.621 7.902 1.00 0.00 C ATOM 478 C ALA B 7 -1.376 -2.915 7.850 1.00 0.00 C ATOM 479 O ALA B 7 -0.490 -3.198 8.657 1.00 0.00 O ATOM 480 CB ALA B 7 -2.617 -4.987 7.223 1.00 0.00 C ATOM 0 H ALA B 7 -4.357 -3.345 6.608 1.00 0.00 H new ATOM 0 HA ALA B 7 -3.012 -3.753 8.946 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.845 -5.577 7.717 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.572 -5.507 7.293 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.354 -4.852 6.174 1.00 0.00 H new ATOM 486 N ILE B 8 -1.219 -1.995 6.903 1.00 0.00 N ATOM 487 CA ILE B 8 0.037 -1.263 6.777 1.00 0.00 C ATOM 488 C ILE B 8 0.281 -0.435 8.031 1.00 0.00 C ATOM 489 O ILE B 8 1.399 -0.381 8.545 1.00 0.00 O ATOM 490 CB ILE B 8 -0.006 -0.333 5.560 1.00 0.00 C ATOM 491 CG1 ILE B 8 -0.051 -1.167 4.279 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.251 0.552 5.537 1.00 0.00 C ATOM 493 CD1 ILE B 8 -0.399 -0.263 3.094 1.00 0.00 C ATOM 0 H ILE B 8 -1.934 -1.741 6.221 1.00 0.00 H new ATOM 0 HA ILE B 8 0.845 -1.983 6.649 1.00 0.00 H new ATOM 0 HB ILE B 8 -0.895 0.295 5.624 1.00 0.00 H new ATOM 0 HG12 ILE B 8 0.912 -1.649 4.112 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -0.792 -1.961 4.375 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.216 1.211 4.670 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.291 1.151 6.447 1.00 0.00 H new ATOM 0 HG23 ILE B 8 2.139 -0.078 5.478 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.431 -0.857 2.181 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.372 0.198 3.262 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.358 0.515 2.995 1.00 0.00 H new ATOM 505 N ILE B 9 -0.767 0.227 8.509 1.00 0.00 N ATOM 506 CA ILE B 9 -0.641 1.065 9.690 1.00 0.00 C ATOM 507 C ILE B 9 -0.205 0.212 10.889 1.00 0.00 C ATOM 508 O ILE B 9 0.568 0.654 11.733 1.00 0.00 O ATOM 509 CB ILE B 9 -1.977 1.791 9.970 1.00 0.00 C ATOM 510 CG1 ILE B 9 -1.715 3.126 10.694 1.00 0.00 C ATOM 511 CG2 ILE B 9 -2.888 0.925 10.843 1.00 0.00 C ATOM 512 CD1 ILE B 9 -0.989 4.121 9.765 1.00 0.00 C ATOM 0 H ILE B 9 -1.701 0.199 8.101 1.00 0.00 H new ATOM 0 HA ILE B 9 0.122 1.824 9.518 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.465 1.979 9.014 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.660 3.556 11.027 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.114 2.949 11.586 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.823 1.453 11.029 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -3.097 -0.014 10.331 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -2.393 0.718 11.792 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.815 5.056 10.298 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.034 3.698 9.454 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.604 4.314 8.886 1.00 0.00 H new ATOM 524 N GLY B 10 -0.718 -1.012 10.942 1.00 0.00 N ATOM 525 CA GLY B 10 -0.385 -1.932 12.030 1.00 0.00 C ATOM 526 C GLY B 10 1.128 -2.124 12.138 1.00 0.00 C ATOM 527 O GLY B 10 1.746 -1.738 13.129 1.00 0.00 O ATOM 0 H GLY B 10 -1.363 -1.392 10.249 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.775 -1.545 12.971 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.866 -2.895 11.858 1.00 0.00 H new ATOM 531 N LEU B 11 1.712 -2.741 11.116 1.00 0.00 N ATOM 532 CA LEU B 11 3.151 -3.004 11.100 1.00 0.00 C ATOM 533 C LEU B 11 3.947 -1.702 11.181 1.00 0.00 C ATOM 534 O LEU B 11 5.030 -1.663 11.759 1.00 0.00 O ATOM 535 CB LEU B 11 3.528 -3.767 9.815 1.00 0.00 C ATOM 536 CG LEU B 11 3.289 -5.276 9.997 1.00 0.00 C ATOM 537 CD1 LEU B 11 4.307 -5.871 10.994 1.00 0.00 C ATOM 538 CD2 LEU B 11 1.858 -5.509 10.505 1.00 0.00 C ATOM 0 H LEU B 11 1.214 -3.069 10.288 1.00 0.00 H new ATOM 0 HA LEU B 11 3.398 -3.611 11.971 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.936 -3.397 8.978 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.574 -3.585 9.570 1.00 0.00 H new ATOM 0 HG LEU B 11 3.420 -5.773 9.036 1.00 0.00 H new ATOM 0 HD11 LEU B 11 4.122 -6.939 11.109 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.318 -5.717 10.617 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.201 -5.378 11.960 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.687 -6.578 10.634 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.724 -5.002 11.460 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.146 -5.113 9.781 1.00 0.00 H new ATOM 550 N MET B 12 3.405 -0.644 10.604 1.00 0.00 N ATOM 551 CA MET B 12 4.051 0.645 10.615 1.00 0.00 C ATOM 552 C MET B 12 4.262 1.140 12.046 1.00 0.00 C ATOM 553 O MET B 12 5.395 1.323 12.491 1.00 0.00 O ATOM 554 CB MET B 12 3.131 1.580 9.845 1.00 0.00 C ATOM 555 CG MET B 12 3.610 3.015 9.890 1.00 0.00 C ATOM 556 SD MET B 12 5.217 3.164 9.064 1.00 0.00 S ATOM 557 CE MET B 12 6.196 3.768 10.466 1.00 0.00 C ATOM 0 H MET B 12 2.508 -0.660 10.118 1.00 0.00 H new ATOM 0 HA MET B 12 5.040 0.597 10.159 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.067 1.252 8.807 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.125 1.521 10.260 1.00 0.00 H new ATOM 0 HG2 MET B 12 2.882 3.665 9.405 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.693 3.346 10.925 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.971 4.444 10.104 1.00 0.00 H new ATOM 0 HE2 MET B 12 5.546 4.300 11.161 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.660 2.924 10.976 1.00 0.00 H new ATOM 567 N VAL B 13 3.165 1.372 12.753 1.00 0.00 N ATOM 568 CA VAL B 13 3.233 1.869 14.124 1.00 0.00 C ATOM 569 C VAL B 13 3.806 0.834 15.086 1.00 0.00 C ATOM 570 O VAL B 13 4.281 1.186 16.164 1.00 0.00 O ATOM 571 CB VAL B 13 1.849 2.305 14.601 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.259 3.290 13.586 1.00 0.00 C ATOM 573 CG2 VAL B 13 0.931 1.080 14.748 1.00 0.00 C ATOM 0 H VAL B 13 2.218 1.225 12.403 1.00 0.00 H new ATOM 0 HA VAL B 13 3.907 2.726 14.119 1.00 0.00 H new ATOM 0 HB VAL B 13 1.933 2.791 15.573 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.270 3.607 13.919 1.00 0.00 H new ATOM 0 HG12 VAL B 13 1.910 4.160 13.503 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.176 2.805 12.614 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -0.053 1.402 15.089 1.00 0.00 H new ATOM 0 HG22 VAL B 13 0.836 0.579 13.785 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.359 0.390 15.475 1.00 0.00 H new ATOM 583 N GLY B 14 3.764 -0.440 14.711 1.00 0.00 N ATOM 584 CA GLY B 14 4.296 -1.491 15.577 1.00 0.00 C ATOM 585 C GLY B 14 5.815 -1.603 15.438 1.00 0.00 C ATOM 586 O GLY B 14 6.522 -1.815 16.423 1.00 0.00 O ATOM 0 H GLY B 14 3.374 -0.769 13.828 1.00 0.00 H new ATOM 0 HA2 GLY B 14 4.037 -1.277 16.614 1.00 0.00 H new ATOM 0 HA3 GLY B 14 3.833 -2.445 15.323 1.00 0.00 H new ATOM 590 N GLY B 15 6.306 -1.474 14.207 1.00 0.00 N ATOM 591 CA GLY B 15 7.739 -1.579 13.962 1.00 0.00 C ATOM 592 C GLY B 15 8.499 -0.647 14.894 1.00 0.00 C ATOM 593 O GLY B 15 9.417 -1.064 15.596 1.00 0.00 O ATOM 0 H GLY B 15 5.741 -1.299 13.376 1.00 0.00 H new ATOM 0 HA2 GLY B 15 8.068 -2.607 14.116 1.00 0.00 H new ATOM 0 HA3 GLY B 15 7.958 -1.326 12.925 1.00 0.00 H new ATOM 597 N VAL B 16 8.123 0.622 14.866 1.00 0.00 N ATOM 598 CA VAL B 16 8.793 1.621 15.686 1.00 0.00 C ATOM 599 C VAL B 16 9.014 1.102 17.105 1.00 0.00 C ATOM 600 O VAL B 16 10.120 1.185 17.627 1.00 0.00 O ATOM 601 CB VAL B 16 7.982 2.924 15.709 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.179 3.684 14.392 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.497 2.607 15.879 1.00 0.00 C ATOM 0 H VAL B 16 7.363 0.983 14.289 1.00 0.00 H new ATOM 0 HA VAL B 16 9.769 1.826 15.245 1.00 0.00 H new ATOM 0 HB VAL B 16 8.326 3.537 16.542 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.601 4.608 14.415 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.235 3.920 14.263 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.841 3.065 13.561 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.926 3.535 15.895 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.160 1.988 15.048 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.344 2.071 16.816 1.00 0.00 H new ATOM 613 N VAL B 17 7.975 0.570 17.728 1.00 0.00 N ATOM 614 CA VAL B 17 8.104 0.055 19.087 1.00 0.00 C ATOM 615 C VAL B 17 9.131 -1.077 19.153 1.00 0.00 C ATOM 616 O VAL B 17 9.948 -1.137 20.067 1.00 0.00 O ATOM 617 CB VAL B 17 6.759 -0.467 19.579 1.00 0.00 C ATOM 618 CG1 VAL B 17 6.932 -1.064 20.976 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.750 0.684 19.633 1.00 0.00 C ATOM 0 H VAL B 17 7.043 0.483 17.323 1.00 0.00 H new ATOM 0 HA VAL B 17 8.440 0.874 19.722 1.00 0.00 H new ATOM 0 HB VAL B 17 6.392 -1.234 18.897 1.00 0.00 H new ATOM 0 HG11 VAL B 17 5.973 -1.439 21.333 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.649 -1.884 20.935 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.297 -0.296 21.657 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.789 0.309 19.985 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.112 1.453 20.316 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.630 1.110 18.637 1.00 0.00 H new ATOM 629 N ILE B 18 9.087 -1.970 18.177 1.00 0.00 N ATOM 630 CA ILE B 18 10.039 -3.074 18.160 1.00 0.00 C ATOM 631 C ILE B 18 11.457 -2.524 18.019 1.00 0.00 C ATOM 632 O ILE B 18 12.361 -2.881 18.774 1.00 0.00 O ATOM 633 CB ILE B 18 9.735 -4.025 17.002 1.00 0.00 C ATOM 634 CG1 ILE B 18 8.379 -4.695 17.239 1.00 0.00 C ATOM 635 CG2 ILE B 18 10.825 -5.097 16.924 1.00 0.00 C ATOM 636 CD1 ILE B 18 7.946 -5.435 15.973 1.00 0.00 C ATOM 0 H ILE B 18 8.422 -1.957 17.404 1.00 0.00 H new ATOM 0 HA ILE B 18 9.954 -3.627 19.095 1.00 0.00 H new ATOM 0 HB ILE B 18 9.708 -3.465 16.067 1.00 0.00 H new ATOM 0 HG12 ILE B 18 8.447 -5.392 18.075 1.00 0.00 H new ATOM 0 HG13 ILE B 18 7.634 -3.946 17.508 1.00 0.00 H new ATOM 0 HG21 ILE B 18 10.609 -5.776 16.099 1.00 0.00 H new ATOM 0 HG22 ILE B 18 11.792 -4.621 16.760 1.00 0.00 H new ATOM 0 HG23 ILE B 18 10.851 -5.658 17.858 1.00 0.00 H new ATOM 0 HD11 ILE B 18 6.981 -5.912 16.142 1.00 0.00 H new ATOM 0 HD12 ILE B 18 7.861 -4.727 15.149 1.00 0.00 H new ATOM 0 HD13 ILE B 18 8.687 -6.195 15.724 1.00 0.00 H new ATOM 648 N ALA B 19 11.631 -1.673 17.018 1.00 0.00 N ATOM 649 CA ALA B 19 12.933 -1.077 16.720 1.00 0.00 C ATOM 650 C ALA B 19 13.483 -0.276 17.897 1.00 0.00 C ATOM 651 O ALA B 19 14.689 -0.271 18.143 1.00 0.00 O ATOM 652 CB ALA B 19 12.807 -0.156 15.511 1.00 0.00 C ATOM 0 H ALA B 19 10.883 -1.376 16.392 1.00 0.00 H new ATOM 0 HA ALA B 19 13.626 -1.893 16.514 1.00 0.00 H new ATOM 0 HB1 ALA B 19 13.777 0.288 15.289 1.00 0.00 H new ATOM 0 HB2 ALA B 19 12.465 -0.731 14.650 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.088 0.634 15.729 1.00 0.00 H new ATOM 658 N THR B 20 12.602 0.404 18.616 1.00 0.00 N ATOM 659 CA THR B 20 13.020 1.209 19.756 1.00 0.00 C ATOM 660 C THR B 20 13.309 0.318 20.956 1.00 0.00 C ATOM 661 O THR B 20 13.997 0.722 21.893 1.00 0.00 O ATOM 662 CB THR B 20 11.936 2.256 20.069 1.00 0.00 C ATOM 663 OG1 THR B 20 12.549 3.491 20.389 1.00 0.00 O ATOM 664 CG2 THR B 20 11.023 1.814 21.222 1.00 0.00 C ATOM 0 H THR B 20 11.599 0.415 18.432 1.00 0.00 H new ATOM 0 HA THR B 20 13.943 1.736 19.515 1.00 0.00 H new ATOM 0 HB THR B 20 11.313 2.366 19.181 1.00 0.00 H new ATOM 0 HG1 THR B 20 12.285 4.167 19.731 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.273 2.583 21.408 1.00 0.00 H new ATOM 0 HG22 THR B 20 10.527 0.881 20.956 1.00 0.00 H new ATOM 0 HG23 THR B 20 11.620 1.664 22.122 1.00 0.00 H new ATOM 672 N MET B 21 12.792 -0.903 20.909 1.00 0.00 N ATOM 673 CA MET B 21 13.012 -1.851 21.980 1.00 0.00 C ATOM 674 C MET B 21 14.387 -2.496 21.814 1.00 0.00 C ATOM 675 O MET B 21 15.045 -2.827 22.798 1.00 0.00 O ATOM 676 CB MET B 21 11.891 -2.914 21.956 1.00 0.00 C ATOM 677 CG MET B 21 10.915 -2.697 23.125 1.00 0.00 C ATOM 678 SD MET B 21 10.373 -0.961 23.165 1.00 0.00 S ATOM 679 CE MET B 21 10.961 -0.522 24.826 1.00 0.00 C ATOM 0 H MET B 21 12.220 -1.254 20.141 1.00 0.00 H new ATOM 0 HA MET B 21 12.987 -1.343 22.944 1.00 0.00 H new ATOM 0 HB2 MET B 21 11.352 -2.861 21.010 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.326 -3.911 22.019 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.052 -3.354 23.016 1.00 0.00 H new ATOM 0 HG3 MET B 21 11.398 -2.958 24.067 1.00 0.00 H new ATOM 0 HE1 MET B 21 10.980 0.563 24.930 1.00 0.00 H new ATOM 0 HE2 MET B 21 10.291 -0.947 25.573 1.00 0.00 H new ATOM 0 HE3 MET B 21 11.966 -0.918 24.973 1.00 0.00 H new ATOM 689 N ILE B 22 14.821 -2.665 20.564 1.00 0.00 N ATOM 690 CA ILE B 22 16.125 -3.264 20.315 1.00 0.00 C ATOM 691 C ILE B 22 17.232 -2.369 20.858 1.00 0.00 C ATOM 692 O ILE B 22 18.148 -2.846 21.516 1.00 0.00 O ATOM 693 CB ILE B 22 16.339 -3.478 18.812 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.370 -4.551 18.309 1.00 0.00 C ATOM 695 CG2 ILE B 22 17.782 -3.934 18.557 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.396 -4.585 16.779 1.00 0.00 C ATOM 0 H ILE B 22 14.300 -2.401 19.728 1.00 0.00 H new ATOM 0 HA ILE B 22 16.158 -4.228 20.823 1.00 0.00 H new ATOM 0 HB ILE B 22 16.156 -2.543 18.283 1.00 0.00 H new ATOM 0 HG12 ILE B 22 15.649 -5.525 18.710 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.361 -4.339 18.662 1.00 0.00 H new ATOM 0 HG21 ILE B 22 17.932 -4.086 17.488 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.473 -3.172 18.916 1.00 0.00 H new ATOM 0 HG23 ILE B 22 17.967 -4.869 19.086 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.706 -5.349 16.420 1.00 0.00 H new ATOM 0 HD12 ILE B 22 15.096 -3.613 16.388 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.405 -4.818 16.437 1.00 0.00 H new ATOM 708 N VAL B 23 17.152 -1.074 20.575 1.00 0.00 N ATOM 709 CA VAL B 23 18.172 -0.145 21.046 1.00 0.00 C ATOM 710 C VAL B 23 18.137 -0.047 22.556 1.00 0.00 C ATOM 711 O VAL B 23 19.177 0.074 23.202 1.00 0.00 O ATOM 712 CB VAL B 23 17.956 1.236 20.443 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.158 1.160 18.931 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.539 1.699 20.760 1.00 0.00 C ATOM 0 H VAL B 23 16.403 -0.648 20.030 1.00 0.00 H new ATOM 0 HA VAL B 23 19.146 -0.522 20.732 1.00 0.00 H new ATOM 0 HB VAL B 23 18.669 1.946 20.862 1.00 0.00 H new ATOM 0 HG11 VAL B 23 18.005 2.146 18.493 1.00 0.00 H new ATOM 0 HG12 VAL B 23 19.171 0.821 18.716 1.00 0.00 H new ATOM 0 HG13 VAL B 23 17.442 0.458 18.503 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.375 2.688 20.332 1.00 0.00 H new ATOM 0 HG22 VAL B 23 15.823 0.996 20.335 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.404 1.745 21.841 1.00 0.00 H new ATOM 724 N ILE B 24 16.940 -0.126 23.127 1.00 0.00 N ATOM 725 CA ILE B 24 16.823 -0.068 24.580 1.00 0.00 C ATOM 726 C ILE B 24 17.825 -1.056 25.186 1.00 0.00 C ATOM 727 O ILE B 24 18.214 -0.945 26.350 1.00 0.00 O ATOM 728 CB ILE B 24 15.356 -0.384 25.002 1.00 0.00 C ATOM 729 CG1 ILE B 24 14.839 0.690 25.976 1.00 0.00 C ATOM 730 CG2 ILE B 24 15.237 -1.760 25.679 1.00 0.00 C ATOM 731 CD1 ILE B 24 14.826 2.070 25.290 1.00 0.00 C ATOM 0 H ILE B 24 16.059 -0.228 22.623 1.00 0.00 H new ATOM 0 HA ILE B 24 17.056 0.930 24.951 1.00 0.00 H new ATOM 0 HB ILE B 24 14.757 -0.391 24.091 1.00 0.00 H new ATOM 0 HG12 ILE B 24 13.834 0.433 26.312 1.00 0.00 H new ATOM 0 HG13 ILE B 24 15.473 0.723 26.862 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.199 -1.940 25.957 1.00 0.00 H new ATOM 0 HG22 ILE B 24 15.567 -2.535 24.988 1.00 0.00 H new ATOM 0 HG23 ILE B 24 15.861 -1.781 26.573 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.458 2.821 25.990 1.00 0.00 H new ATOM 0 HD12 ILE B 24 15.837 2.330 24.977 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.173 2.037 24.418 1.00 0.00 H new ATOM 743 N THR B 25 18.241 -2.011 24.358 1.00 0.00 N ATOM 744 CA THR B 25 19.209 -3.020 24.776 1.00 0.00 C ATOM 745 C THR B 25 20.616 -2.419 24.853 1.00 0.00 C ATOM 746 O THR B 25 21.374 -2.724 25.773 1.00 0.00 O ATOM 747 CB THR B 25 19.161 -4.243 23.831 1.00 0.00 C ATOM 748 OG1 THR B 25 19.325 -5.425 24.598 1.00 0.00 O ATOM 749 CG2 THR B 25 20.262 -4.185 22.757 1.00 0.00 C ATOM 0 H THR B 25 17.923 -2.107 23.394 1.00 0.00 H new ATOM 0 HA THR B 25 18.945 -3.365 25.775 1.00 0.00 H new ATOM 0 HB THR B 25 18.197 -4.238 23.323 1.00 0.00 H new ATOM 0 HG1 THR B 25 19.294 -6.206 24.006 1.00 0.00 H new ATOM 0 HG21 THR B 25 20.191 -5.063 22.115 1.00 0.00 H new ATOM 0 HG22 THR B 25 20.136 -3.285 22.155 1.00 0.00 H new ATOM 0 HG23 THR B 25 21.240 -4.166 23.239 1.00 0.00 H new ATOM 757 N LEU B 26 20.969 -1.571 23.881 1.00 0.00 N ATOM 758 CA LEU B 26 22.291 -0.950 23.857 1.00 0.00 C ATOM 759 C LEU B 26 22.541 -0.208 25.166 1.00 0.00 C ATOM 760 O LEU B 26 23.680 -0.041 25.600 1.00 0.00 O ATOM 761 CB LEU B 26 22.363 -0.007 22.624 1.00 0.00 C ATOM 762 CG LEU B 26 23.266 1.241 22.837 1.00 0.00 C ATOM 763 CD1 LEU B 26 22.604 2.267 23.795 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.686 0.843 23.331 1.00 0.00 C ATOM 0 H LEU B 26 20.361 -1.303 23.108 1.00 0.00 H new ATOM 0 HA LEU B 26 23.074 -1.703 23.766 1.00 0.00 H new ATOM 0 HB2 LEU B 26 22.735 -0.571 21.769 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.355 0.324 22.373 1.00 0.00 H new ATOM 0 HG LEU B 26 23.381 1.724 21.867 1.00 0.00 H new ATOM 0 HD11 LEU B 26 23.263 3.126 23.920 1.00 0.00 H new ATOM 0 HD12 LEU B 26 21.654 2.597 23.374 1.00 0.00 H new ATOM 0 HD13 LEU B 26 22.429 1.800 24.764 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.288 1.741 23.469 1.00 0.00 H new ATOM 0 HD22 LEU B 26 24.606 0.311 24.279 1.00 0.00 H new ATOM 0 HD23 LEU B 26 25.161 0.198 22.592 1.00 0.00 H new ATOM 776 N VAL B 27 21.458 0.192 25.808 1.00 0.00 N ATOM 777 CA VAL B 27 21.549 0.875 27.091 1.00 0.00 C ATOM 778 C VAL B 27 22.091 -0.082 28.148 1.00 0.00 C ATOM 779 O VAL B 27 22.992 0.252 28.916 1.00 0.00 O ATOM 780 CB VAL B 27 20.160 1.354 27.506 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.266 2.293 28.710 1.00 0.00 C ATOM 782 CG2 VAL B 27 19.519 2.090 26.331 1.00 0.00 C ATOM 0 H VAL B 27 20.507 0.057 25.465 1.00 0.00 H new ATOM 0 HA VAL B 27 22.221 1.728 27.000 1.00 0.00 H new ATOM 0 HB VAL B 27 19.547 0.497 27.785 1.00 0.00 H new ATOM 0 HG11 VAL B 27 19.270 2.629 28.998 1.00 0.00 H new ATOM 0 HG12 VAL B 27 20.726 1.764 29.545 1.00 0.00 H new ATOM 0 HG13 VAL B 27 20.878 3.156 28.446 1.00 0.00 H new ATOM 0 HG21 VAL B 27 18.526 2.437 26.617 1.00 0.00 H new ATOM 0 HG22 VAL B 27 20.137 2.945 26.057 1.00 0.00 H new ATOM 0 HG23 VAL B 27 19.436 1.414 25.480 1.00 0.00 H new ATOM 792 N MET B 28 21.527 -1.283 28.154 1.00 0.00 N ATOM 793 CA MET B 28 21.938 -2.320 29.091 1.00 0.00 C ATOM 794 C MET B 28 23.347 -2.797 28.762 1.00 0.00 C ATOM 795 O MET B 28 24.117 -3.156 29.652 1.00 0.00 O ATOM 796 CB MET B 28 20.957 -3.497 29.047 1.00 0.00 C ATOM 797 CG MET B 28 19.683 -3.128 29.815 1.00 0.00 C ATOM 798 SD MET B 28 18.520 -4.515 29.769 1.00 0.00 S ATOM 799 CE MET B 28 17.104 -3.644 30.487 1.00 0.00 C ATOM 0 H MET B 28 20.781 -1.563 27.518 1.00 0.00 H new ATOM 0 HA MET B 28 21.935 -1.902 30.097 1.00 0.00 H new ATOM 0 HB2 MET B 28 20.713 -3.743 28.013 1.00 0.00 H new ATOM 0 HB3 MET B 28 21.415 -4.383 29.486 1.00 0.00 H new ATOM 0 HG2 MET B 28 19.928 -2.880 30.848 1.00 0.00 H new ATOM 0 HG3 MET B 28 19.225 -2.242 29.375 1.00 0.00 H new ATOM 0 HE1 MET B 28 16.255 -4.324 30.554 1.00 0.00 H new ATOM 0 HE2 MET B 28 17.363 -3.288 31.484 1.00 0.00 H new ATOM 0 HE3 MET B 28 16.841 -2.795 29.856 1.00 0.00 H new ATOM 809 N LEU B 29 23.678 -2.795 27.475 1.00 0.00 N ATOM 810 CA LEU B 29 25.000 -3.228 27.036 1.00 0.00 C ATOM 811 C LEU B 29 26.001 -2.089 27.179 1.00 0.00 C ATOM 812 O LEU B 29 27.193 -2.262 26.927 1.00 0.00 O ATOM 813 CB LEU B 29 24.953 -3.688 25.579 1.00 0.00 C ATOM 814 CG LEU B 29 23.984 -4.869 25.435 1.00 0.00 C ATOM 815 CD1 LEU B 29 23.874 -5.250 23.955 1.00 0.00 C ATOM 816 CD2 LEU B 29 24.495 -6.077 26.247 1.00 0.00 C ATOM 0 H LEU B 29 23.055 -2.501 26.723 1.00 0.00 H new ATOM 0 HA LEU B 29 25.314 -4.063 27.663 1.00 0.00 H new ATOM 0 HB2 LEU B 29 24.635 -2.865 24.939 1.00 0.00 H new ATOM 0 HB3 LEU B 29 25.949 -3.982 25.249 1.00 0.00 H new ATOM 0 HG LEU B 29 23.004 -4.581 25.815 1.00 0.00 H new ATOM 0 HD11 LEU B 29 23.187 -6.089 23.845 1.00 0.00 H new ATOM 0 HD12 LEU B 29 23.500 -4.398 23.387 1.00 0.00 H new ATOM 0 HD13 LEU B 29 24.857 -5.534 23.578 1.00 0.00 H new ATOM 0 HD21 LEU B 29 23.800 -6.909 26.138 1.00 0.00 H new ATOM 0 HD22 LEU B 29 25.477 -6.374 25.879 1.00 0.00 H new ATOM 0 HD23 LEU B 29 24.570 -5.803 27.299 1.00 0.00 H new ATOM 828 N LYS B 30 25.510 -0.924 27.590 1.00 0.00 N ATOM 829 CA LYS B 30 26.377 0.234 27.768 1.00 0.00 C ATOM 830 C LYS B 30 27.425 -0.056 28.837 1.00 0.00 C ATOM 831 O LYS B 30 28.576 0.365 28.721 1.00 0.00 O ATOM 832 CB LYS B 30 25.547 1.461 28.174 1.00 0.00 C ATOM 833 CG LYS B 30 26.358 2.737 27.927 1.00 0.00 C ATOM 834 CD LYS B 30 25.489 3.965 28.212 1.00 0.00 C ATOM 835 CE LYS B 30 26.296 5.231 27.926 1.00 0.00 C ATOM 836 NZ LYS B 30 25.457 6.434 28.192 1.00 0.00 N ATOM 0 H LYS B 30 24.527 -0.758 27.804 1.00 0.00 H new ATOM 0 HA LYS B 30 26.879 0.442 26.823 1.00 0.00 H new ATOM 0 HB2 LYS B 30 24.620 1.491 27.601 1.00 0.00 H new ATOM 0 HB3 LYS B 30 25.270 1.393 29.226 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.241 2.748 28.567 1.00 0.00 H new ATOM 0 HG3 LYS B 30 26.711 2.761 26.896 1.00 0.00 H new ATOM 0 HD2 LYS B 30 24.593 3.943 27.592 1.00 0.00 H new ATOM 0 HD3 LYS B 30 25.158 3.958 29.250 1.00 0.00 H new ATOM 0 HE2 LYS B 30 27.189 5.253 28.551 1.00 0.00 H new ATOM 0 HE3 LYS B 30 26.632 5.233 26.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 26.010 7.293 27.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 24.618 6.415 27.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 25.157 6.435 29.188 1.00 0.00 H new ATOM 850 N LYS B 31 27.020 -0.786 29.877 1.00 0.00 N ATOM 851 CA LYS B 31 27.934 -1.136 30.966 1.00 0.00 C ATOM 852 C LYS B 31 28.589 -2.491 30.703 1.00 0.00 C ATOM 853 O LYS B 31 29.046 -3.161 31.629 1.00 0.00 O ATOM 854 CB LYS B 31 27.175 -1.187 32.292 1.00 0.00 C ATOM 855 CG LYS B 31 26.710 0.223 32.667 1.00 0.00 C ATOM 856 CD LYS B 31 26.072 0.215 34.062 1.00 0.00 C ATOM 857 CE LYS B 31 24.728 -0.520 34.030 1.00 0.00 C ATOM 858 NZ LYS B 31 23.964 -0.201 35.270 1.00 0.00 N ATOM 0 H LYS B 31 26.072 -1.145 29.989 1.00 0.00 H new ATOM 0 HA LYS B 31 28.710 -0.372 31.020 1.00 0.00 H new ATOM 0 HB2 LYS B 31 26.317 -1.854 32.207 1.00 0.00 H new ATOM 0 HB3 LYS B 31 27.816 -1.591 33.075 1.00 0.00 H new ATOM 0 HG2 LYS B 31 27.556 0.910 32.650 1.00 0.00 H new ATOM 0 HG3 LYS B 31 25.991 0.585 31.932 1.00 0.00 H new ATOM 0 HD2 LYS B 31 26.742 -0.269 34.773 1.00 0.00 H new ATOM 0 HD3 LYS B 31 25.926 1.238 34.408 1.00 0.00 H new ATOM 0 HE2 LYS B 31 24.158 -0.221 33.150 1.00 0.00 H new ATOM 0 HE3 LYS B 31 24.890 -1.595 33.955 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 23.051 -0.698 35.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 24.509 -0.507 36.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 23.799 0.825 35.322 1.00 0.00 H new ATOM 872 N LYS B 32 28.638 -2.884 29.430 1.00 0.00 N ATOM 873 CA LYS B 32 29.246 -4.157 29.042 1.00 0.00 C ATOM 874 C LYS B 32 29.971 -4.013 27.707 1.00 0.00 C ATOM 875 O LYS B 32 29.297 -3.853 26.703 1.00 0.00 O ATOM 876 CB LYS B 32 28.173 -5.239 28.921 1.00 0.00 C ATOM 877 CG LYS B 32 27.596 -5.555 30.302 1.00 0.00 C ATOM 878 CD LYS B 32 26.515 -6.631 30.171 1.00 0.00 C ATOM 879 CE LYS B 32 25.893 -6.901 31.542 1.00 0.00 C ATOM 880 NZ LYS B 32 26.911 -7.526 32.434 1.00 0.00 N ATOM 0 H LYS B 32 28.265 -2.341 28.652 1.00 0.00 H new ATOM 0 HA LYS B 32 29.963 -4.444 29.811 1.00 0.00 H new ATOM 0 HB2 LYS B 32 27.379 -4.904 28.253 1.00 0.00 H new ATOM 0 HB3 LYS B 32 28.600 -6.140 28.481 1.00 0.00 H new ATOM 0 HG2 LYS B 32 28.387 -5.899 30.968 1.00 0.00 H new ATOM 0 HG3 LYS B 32 27.174 -4.653 30.746 1.00 0.00 H new ATOM 0 HD2 LYS B 32 25.747 -6.306 29.469 1.00 0.00 H new ATOM 0 HD3 LYS B 32 26.947 -7.548 29.769 1.00 0.00 H new ATOM 0 HE2 LYS B 32 25.533 -5.970 31.980 1.00 0.00 H new ATOM 0 HE3 LYS B 32 25.031 -7.560 31.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 26.437 -7.954 33.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 27.427 -8.261 31.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 27.580 -6.799 32.760 1.00 0.00 H new TER 894 LYS B 32