USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 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 -171:sc= 0 (180deg=-0.0643) USER MOD Single : A 20 THR OG1 : rot -140:sc= -5.83! USER MOD Single : A 21 MET CE :methyl -162:sc= -0.0016 (180deg=-0.0875) USER MOD Single : A 25 THR OG1 : rot 158:sc= -3.51! USER MOD Single : A 28 MET CE :methyl -155:sc= -0.123 (180deg=-1.23) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.16) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0551) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -171:sc= 0 (180deg=-0.0656) USER MOD Single : B 20 THR OG1 : rot -140:sc= -5.94! USER MOD Single : B 21 MET CE :methyl -163:sc=-0.00432 (180deg=-0.0821) USER MOD Single : B 25 THR OG1 : rot 169:sc= -3.48! USER MOD Single : B 28 MET CE :methyl -157:sc= -0.0865 (180deg=-1.24) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 163:sc=-0.00952 (180deg=-0.18) USER MOD Single : B 32 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0754) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 2.525 2.041 -4.459 1.00 0.00 N ATOM 2 CA LYS A 5 2.385 2.739 -3.150 1.00 0.00 C ATOM 3 C LYS A 5 3.659 2.544 -2.332 1.00 0.00 C ATOM 4 O LYS A 5 3.608 2.139 -1.173 1.00 0.00 O ATOM 5 CB LYS A 5 1.180 2.168 -2.396 1.00 0.00 C ATOM 6 CG LYS A 5 -0.109 2.565 -3.121 1.00 0.00 C ATOM 7 CD LYS A 5 -1.317 1.983 -2.383 1.00 0.00 C ATOM 8 CE LYS A 5 -2.603 2.403 -3.097 1.00 0.00 C ATOM 9 NZ LYS A 5 -3.781 1.831 -2.384 1.00 0.00 N ATOM 0 HA LYS A 5 2.229 3.805 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.256 1.082 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.166 2.544 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.190 3.651 -3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.087 2.200 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.246 0.896 -2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -1.330 2.334 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.676 3.490 -3.127 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.587 2.056 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.654 2.118 -2.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.713 0.793 -2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.799 2.183 -1.405 1.00 0.00 H new ATOM 22 N GLY A 6 4.801 2.837 -2.946 1.00 0.00 N ATOM 23 CA GLY A 6 6.087 2.696 -2.267 1.00 0.00 C ATOM 24 C GLY A 6 6.247 3.737 -1.162 1.00 0.00 C ATOM 25 O GLY A 6 6.807 3.452 -0.107 1.00 0.00 O ATOM 0 H GLY A 6 4.864 3.172 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.169 1.696 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 6 6.896 2.802 -2.990 1.00 0.00 H new ATOM 29 N ALA A 7 5.761 4.949 -1.414 1.00 0.00 N ATOM 30 CA ALA A 7 5.871 6.026 -0.434 1.00 0.00 C ATOM 31 C ALA A 7 5.428 5.552 0.945 1.00 0.00 C ATOM 32 O ALA A 7 5.804 6.133 1.964 1.00 0.00 O ATOM 33 CB ALA A 7 5.008 7.215 -0.863 1.00 0.00 C ATOM 0 H ALA A 7 5.291 5.209 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 7 6.916 6.331 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.096 8.013 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.346 7.578 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.967 6.901 -0.935 1.00 0.00 H new ATOM 39 N ILE A 8 4.623 4.499 0.971 1.00 0.00 N ATOM 40 CA ILE A 8 4.132 3.963 2.233 1.00 0.00 C ATOM 41 C ILE A 8 5.302 3.440 3.073 1.00 0.00 C ATOM 42 O ILE A 8 5.374 3.699 4.271 1.00 0.00 O ATOM 43 CB ILE A 8 3.110 2.841 1.960 1.00 0.00 C ATOM 44 CG1 ILE A 8 1.758 3.459 1.569 1.00 0.00 C ATOM 45 CG2 ILE A 8 2.914 1.981 3.216 1.00 0.00 C ATOM 46 CD1 ILE A 8 1.954 4.482 0.448 1.00 0.00 C ATOM 0 H ILE A 8 4.298 4.003 0.141 1.00 0.00 H new ATOM 0 HA ILE A 8 3.637 4.756 2.793 1.00 0.00 H new ATOM 0 HB ILE A 8 3.487 2.218 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.072 2.677 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.304 3.940 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.190 1.193 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.866 1.533 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.547 2.605 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.991 4.915 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.623 5.272 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.388 3.989 -0.422 1.00 0.00 H new ATOM 58 N ILE A 9 6.211 2.702 2.443 1.00 0.00 N ATOM 59 CA ILE A 9 7.364 2.160 3.159 1.00 0.00 C ATOM 60 C ILE A 9 8.327 3.280 3.560 1.00 0.00 C ATOM 61 O ILE A 9 9.103 3.142 4.506 1.00 0.00 O ATOM 62 CB ILE A 9 8.085 1.100 2.289 1.00 0.00 C ATOM 63 CG1 ILE A 9 8.817 0.082 3.193 1.00 0.00 C ATOM 64 CG2 ILE A 9 9.104 1.776 1.347 1.00 0.00 C ATOM 65 CD1 ILE A 9 7.850 -1.017 3.655 1.00 0.00 C ATOM 0 H ILE A 9 6.175 2.467 1.451 1.00 0.00 H new ATOM 0 HA ILE A 9 7.011 1.677 4.070 1.00 0.00 H new ATOM 0 HB ILE A 9 7.337 0.581 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.650 -0.363 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.238 0.592 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.601 1.017 0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 9 8.585 2.477 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.846 2.312 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.381 -1.726 4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.031 -0.568 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.450 -1.539 2.786 1.00 0.00 H new ATOM 77 N GLY A 10 8.281 4.373 2.809 1.00 0.00 N ATOM 78 CA GLY A 10 9.167 5.506 3.063 1.00 0.00 C ATOM 79 C GLY A 10 9.084 5.970 4.517 1.00 0.00 C ATOM 80 O GLY A 10 10.108 6.244 5.145 1.00 0.00 O ATOM 0 H GLY A 10 7.644 4.501 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.194 5.226 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.903 6.331 2.401 1.00 0.00 H new ATOM 84 N LEU A 11 7.869 6.052 5.051 1.00 0.00 N ATOM 85 CA LEU A 11 7.679 6.481 6.437 1.00 0.00 C ATOM 86 C LEU A 11 7.900 5.314 7.397 1.00 0.00 C ATOM 87 O LEU A 11 8.276 5.512 8.553 1.00 0.00 O ATOM 88 CB LEU A 11 6.267 7.059 6.618 1.00 0.00 C ATOM 89 CG LEU A 11 5.200 5.930 6.600 1.00 0.00 C ATOM 90 CD1 LEU A 11 4.753 5.593 8.028 1.00 0.00 C ATOM 91 CD2 LEU A 11 3.976 6.377 5.787 1.00 0.00 C ATOM 0 H LEU A 11 7.007 5.830 4.552 1.00 0.00 H new ATOM 0 HA LEU A 11 8.412 7.255 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.211 7.603 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.058 7.775 5.823 1.00 0.00 H new ATOM 0 HG LEU A 11 5.645 5.046 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.005 4.800 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.613 5.259 8.609 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.323 6.480 8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.233 5.579 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.545 7.270 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.280 6.599 4.764 1.00 0.00 H new ATOM 103 N MET A 12 7.665 4.100 6.910 1.00 0.00 N ATOM 104 CA MET A 12 7.837 2.916 7.713 1.00 0.00 C ATOM 105 C MET A 12 9.263 2.821 8.229 1.00 0.00 C ATOM 106 O MET A 12 9.500 2.837 9.437 1.00 0.00 O ATOM 107 CB MET A 12 7.521 1.713 6.834 1.00 0.00 C ATOM 108 CG MET A 12 7.427 0.446 7.673 1.00 0.00 C ATOM 109 SD MET A 12 9.090 -0.200 7.999 1.00 0.00 S ATOM 110 CE MET A 12 8.957 -0.370 9.800 1.00 0.00 C ATOM 0 H MET A 12 7.353 3.920 5.956 1.00 0.00 H new ATOM 0 HA MET A 12 7.173 2.949 8.576 1.00 0.00 H new ATOM 0 HB2 MET A 12 6.581 1.877 6.307 1.00 0.00 H new ATOM 0 HB3 MET A 12 8.295 1.597 6.075 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.919 0.659 8.614 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.832 -0.303 7.151 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.936 -0.605 10.217 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.596 0.565 10.228 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.259 -1.172 10.039 1.00 0.00 H new ATOM 120 N VAL A 13 10.210 2.727 7.308 1.00 0.00 N ATOM 121 CA VAL A 13 11.608 2.631 7.687 1.00 0.00 C ATOM 122 C VAL A 13 12.021 3.865 8.475 1.00 0.00 C ATOM 123 O VAL A 13 12.970 3.824 9.257 1.00 0.00 O ATOM 124 CB VAL A 13 12.479 2.482 6.441 1.00 0.00 C ATOM 125 CG1 VAL A 13 12.090 1.195 5.710 1.00 0.00 C ATOM 126 CG2 VAL A 13 12.262 3.684 5.518 1.00 0.00 C ATOM 0 H VAL A 13 10.037 2.715 6.303 1.00 0.00 H new ATOM 0 HA VAL A 13 11.745 1.752 8.317 1.00 0.00 H new ATOM 0 HB VAL A 13 13.529 2.437 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.708 1.082 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.244 0.341 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.040 1.244 5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.884 3.577 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.214 3.732 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.534 4.600 6.043 1.00 0.00 H new ATOM 136 N GLY A 14 11.294 4.964 8.281 1.00 0.00 N ATOM 137 CA GLY A 14 11.592 6.192 9.002 1.00 0.00 C ATOM 138 C GLY A 14 11.277 6.026 10.484 1.00 0.00 C ATOM 139 O GLY A 14 12.044 6.457 11.342 1.00 0.00 O ATOM 0 H GLY A 14 10.505 5.026 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 14 12.643 6.451 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.008 7.015 8.589 1.00 0.00 H new ATOM 143 N GLY A 15 10.137 5.407 10.784 1.00 0.00 N ATOM 144 CA GLY A 15 9.746 5.206 12.169 1.00 0.00 C ATOM 145 C GLY A 15 10.858 4.519 12.954 1.00 0.00 C ATOM 146 O GLY A 15 11.370 5.069 13.921 1.00 0.00 O ATOM 0 H GLY A 15 9.479 5.042 10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.511 6.166 12.628 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.839 4.603 12.211 1.00 0.00 H new ATOM 150 N VAL A 16 11.214 3.309 12.546 1.00 0.00 N ATOM 151 CA VAL A 16 12.253 2.558 13.240 1.00 0.00 C ATOM 152 C VAL A 16 13.507 3.407 13.441 1.00 0.00 C ATOM 153 O VAL A 16 14.272 3.169 14.371 1.00 0.00 O ATOM 154 CB VAL A 16 12.604 1.295 12.449 1.00 0.00 C ATOM 155 CG1 VAL A 16 11.446 0.302 12.532 1.00 0.00 C ATOM 156 CG2 VAL A 16 12.851 1.655 10.984 1.00 0.00 C ATOM 0 H VAL A 16 10.803 2.829 11.745 1.00 0.00 H new ATOM 0 HA VAL A 16 11.869 2.278 14.221 1.00 0.00 H new ATOM 0 HB VAL A 16 13.504 0.848 12.871 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.696 -0.597 11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.266 0.039 13.574 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.548 0.755 12.112 1.00 0.00 H new ATOM 0 HG21 VAL A 16 13.100 0.753 10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 16 11.952 2.106 10.564 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.677 2.363 10.918 1.00 0.00 H new ATOM 166 N VAL A 17 13.708 4.393 12.567 1.00 0.00 N ATOM 167 CA VAL A 17 14.878 5.275 12.671 1.00 0.00 C ATOM 168 C VAL A 17 14.640 6.397 13.692 1.00 0.00 C ATOM 169 O VAL A 17 15.497 6.687 14.526 1.00 0.00 O ATOM 170 CB VAL A 17 15.215 5.890 11.305 1.00 0.00 C ATOM 171 CG1 VAL A 17 16.223 7.034 11.490 1.00 0.00 C ATOM 172 CG2 VAL A 17 15.825 4.821 10.395 1.00 0.00 C ATOM 0 H VAL A 17 13.086 4.603 11.786 1.00 0.00 H new ATOM 0 HA VAL A 17 15.717 4.667 13.010 1.00 0.00 H new ATOM 0 HB VAL A 17 14.303 6.277 10.851 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.461 7.469 10.520 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.791 7.799 12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.133 6.646 11.947 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.063 5.260 9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.736 4.432 10.851 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.111 4.008 10.259 1.00 0.00 H new ATOM 182 N ILE A 18 13.486 7.040 13.607 1.00 0.00 N ATOM 183 CA ILE A 18 13.181 8.125 14.533 1.00 0.00 C ATOM 184 C ILE A 18 13.003 7.568 15.945 1.00 0.00 C ATOM 185 O ILE A 18 13.498 8.132 16.921 1.00 0.00 O ATOM 186 CB ILE A 18 11.920 8.871 14.088 1.00 0.00 C ATOM 187 CG1 ILE A 18 12.211 9.606 12.777 1.00 0.00 C ATOM 188 CG2 ILE A 18 11.518 9.888 15.159 1.00 0.00 C ATOM 189 CD1 ILE A 18 10.903 10.124 12.176 1.00 0.00 C ATOM 0 H ILE A 18 12.757 6.837 12.923 1.00 0.00 H new ATOM 0 HA ILE A 18 14.012 8.831 14.535 1.00 0.00 H new ATOM 0 HB ILE A 18 11.107 8.159 13.943 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.893 10.436 12.958 1.00 0.00 H new ATOM 0 HG13 ILE A 18 12.705 8.935 12.074 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.620 10.417 14.839 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.319 9.369 16.097 1.00 0.00 H new ATOM 0 HG23 ILE A 18 12.328 10.603 15.304 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.113 10.647 11.243 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.235 9.285 11.979 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.427 10.810 12.877 1.00 0.00 H new ATOM 201 N ALA A 19 12.263 6.474 16.030 1.00 0.00 N ATOM 202 CA ALA A 19 11.971 5.841 17.311 1.00 0.00 C ATOM 203 C ALA A 19 13.247 5.502 18.076 1.00 0.00 C ATOM 204 O ALA A 19 13.304 5.686 19.292 1.00 0.00 O ATOM 205 CB ALA A 19 11.155 4.567 17.091 1.00 0.00 C ATOM 0 H ALA A 19 11.851 6.003 15.225 1.00 0.00 H new ATOM 0 HA ALA A 19 11.397 6.551 17.906 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.942 4.101 18.053 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.218 4.816 16.593 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.723 3.874 16.470 1.00 0.00 H new ATOM 211 N THR A 20 14.273 5.010 17.384 1.00 0.00 N ATOM 212 CA THR A 20 15.517 4.671 18.074 1.00 0.00 C ATOM 213 C THR A 20 16.293 5.932 18.406 1.00 0.00 C ATOM 214 O THR A 20 17.067 5.968 19.361 1.00 0.00 O ATOM 215 CB THR A 20 16.391 3.751 17.223 1.00 0.00 C ATOM 216 OG1 THR A 20 17.635 3.556 17.877 1.00 0.00 O ATOM 217 CG2 THR A 20 16.636 4.380 15.858 1.00 0.00 C ATOM 0 H THR A 20 14.272 4.841 16.378 1.00 0.00 H new ATOM 0 HA THR A 20 15.253 4.148 18.993 1.00 0.00 H new ATOM 0 HB THR A 20 15.884 2.795 17.091 1.00 0.00 H new ATOM 0 HG1 THR A 20 18.358 3.565 17.215 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.260 3.717 15.259 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.683 4.536 15.353 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.141 5.338 15.984 1.00 0.00 H new ATOM 225 N MET A 21 16.093 6.967 17.606 1.00 0.00 N ATOM 226 CA MET A 21 16.784 8.220 17.837 1.00 0.00 C ATOM 227 C MET A 21 16.228 8.934 19.060 1.00 0.00 C ATOM 228 O MET A 21 16.985 9.510 19.840 1.00 0.00 O ATOM 229 CB MET A 21 16.681 9.118 16.598 1.00 0.00 C ATOM 230 CG MET A 21 17.665 8.636 15.521 1.00 0.00 C ATOM 231 SD MET A 21 19.371 8.933 16.073 1.00 0.00 S ATOM 232 CE MET A 21 19.910 7.205 16.211 1.00 0.00 C ATOM 0 H MET A 21 15.466 6.963 16.802 1.00 0.00 H new ATOM 0 HA MET A 21 17.835 8.000 18.026 1.00 0.00 H new ATOM 0 HB2 MET A 21 15.663 9.099 16.208 1.00 0.00 H new ATOM 0 HB3 MET A 21 16.900 10.151 16.867 1.00 0.00 H new ATOM 0 HG2 MET A 21 17.515 7.574 15.327 1.00 0.00 H new ATOM 0 HG3 MET A 21 17.479 9.161 14.584 1.00 0.00 H new ATOM 0 HE1 MET A 21 20.806 7.152 16.830 1.00 0.00 H new ATOM 0 HE2 MET A 21 19.117 6.612 16.667 1.00 0.00 H new ATOM 0 HE3 MET A 21 20.131 6.812 15.218 1.00 0.00 H new ATOM 242 N ILE A 22 14.908 8.907 19.235 1.00 0.00 N ATOM 243 CA ILE A 22 14.298 9.571 20.376 1.00 0.00 C ATOM 244 C ILE A 22 14.642 8.870 21.686 1.00 0.00 C ATOM 245 O ILE A 22 14.947 9.521 22.675 1.00 0.00 O ATOM 246 CB ILE A 22 12.777 9.595 20.189 1.00 0.00 C ATOM 247 CG1 ILE A 22 12.431 10.505 19.008 1.00 0.00 C ATOM 248 CG2 ILE A 22 12.101 10.132 21.455 1.00 0.00 C ATOM 249 CD1 ILE A 22 10.958 10.326 18.639 1.00 0.00 C ATOM 0 H ILE A 22 14.252 8.439 18.610 1.00 0.00 H new ATOM 0 HA ILE A 22 14.690 10.587 20.430 1.00 0.00 H new ATOM 0 HB ILE A 22 12.423 8.582 19.997 1.00 0.00 H new ATOM 0 HG12 ILE A 22 12.628 11.545 19.267 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.063 10.264 18.153 1.00 0.00 H new ATOM 0 HG21 ILE A 22 11.020 10.145 21.313 1.00 0.00 H new ATOM 0 HG22 ILE A 22 12.348 9.489 22.300 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.453 11.144 21.654 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.712 10.974 17.798 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.776 9.288 18.362 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.334 10.588 19.494 1.00 0.00 H new ATOM 261 N VAL A 23 14.533 7.547 21.718 1.00 0.00 N ATOM 262 CA VAL A 23 14.792 6.811 22.950 1.00 0.00 C ATOM 263 C VAL A 23 16.248 6.916 23.394 1.00 0.00 C ATOM 264 O VAL A 23 16.546 6.912 24.586 1.00 0.00 O ATOM 265 CB VAL A 23 14.412 5.340 22.772 1.00 0.00 C ATOM 266 CG1 VAL A 23 12.920 5.227 22.348 1.00 0.00 C ATOM 267 CG2 VAL A 23 15.327 4.708 21.714 1.00 0.00 C ATOM 0 H VAL A 23 14.271 6.969 20.919 1.00 0.00 H new ATOM 0 HA VAL A 23 14.178 7.262 23.729 1.00 0.00 H new ATOM 0 HB VAL A 23 14.540 4.808 23.715 1.00 0.00 H new ATOM 0 HG11 VAL A 23 12.656 4.177 22.223 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.288 5.671 23.118 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.769 5.754 21.406 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.061 3.659 21.583 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.206 5.234 20.767 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.365 4.781 22.040 1.00 0.00 H new ATOM 277 N ILE A 24 17.160 6.991 22.442 1.00 0.00 N ATOM 278 CA ILE A 24 18.581 7.079 22.783 1.00 0.00 C ATOM 279 C ILE A 24 18.783 8.082 23.942 1.00 0.00 C ATOM 280 O ILE A 24 19.432 7.768 24.937 1.00 0.00 O ATOM 281 CB ILE A 24 19.378 7.471 21.492 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.343 6.338 21.098 1.00 0.00 C ATOM 283 CG2 ILE A 24 20.182 8.770 21.668 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.547 5.140 20.560 1.00 0.00 C ATOM 0 H ILE A 24 16.955 6.993 21.443 1.00 0.00 H new ATOM 0 HA ILE A 24 18.960 6.119 23.134 1.00 0.00 H new ATOM 0 HB ILE A 24 18.640 7.634 20.706 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.043 6.691 20.341 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.934 6.035 21.962 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.715 8.996 20.745 1.00 0.00 H new ATOM 0 HG22 ILE A 24 19.503 9.589 21.904 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.899 8.647 22.480 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.235 4.341 20.283 1.00 0.00 H new ATOM 0 HD12 ILE A 24 18.865 4.781 21.331 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.975 5.447 19.684 1.00 0.00 H new ATOM 296 N THR A 25 18.211 9.274 23.800 1.00 0.00 N ATOM 297 CA THR A 25 18.338 10.287 24.858 1.00 0.00 C ATOM 298 C THR A 25 17.604 9.817 26.119 1.00 0.00 C ATOM 299 O THR A 25 18.157 9.847 27.218 1.00 0.00 O ATOM 300 CB THR A 25 17.815 11.664 24.421 1.00 0.00 C ATOM 301 OG1 THR A 25 17.590 12.466 25.572 1.00 0.00 O ATOM 302 CG2 THR A 25 16.513 11.523 23.645 1.00 0.00 C ATOM 0 H THR A 25 17.667 9.564 22.987 1.00 0.00 H new ATOM 0 HA THR A 25 19.401 10.404 25.071 1.00 0.00 H new ATOM 0 HB THR A 25 18.558 12.132 23.776 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.603 13.413 25.319 1.00 0.00 H new ATOM 0 HG21 THR A 25 16.160 12.509 23.345 1.00 0.00 H new ATOM 0 HG22 THR A 25 16.682 10.913 22.758 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.763 11.046 24.276 1.00 0.00 H new ATOM 310 N LEU A 26 16.356 9.388 25.947 1.00 0.00 N ATOM 311 CA LEU A 26 15.535 8.913 27.071 1.00 0.00 C ATOM 312 C LEU A 26 16.362 8.041 28.012 1.00 0.00 C ATOM 313 O LEU A 26 16.238 8.129 29.232 1.00 0.00 O ATOM 314 CB LEU A 26 14.354 8.109 26.508 1.00 0.00 C ATOM 315 CG LEU A 26 13.512 7.436 27.611 1.00 0.00 C ATOM 316 CD1 LEU A 26 14.227 6.194 28.202 1.00 0.00 C ATOM 317 CD2 LEU A 26 13.172 8.450 28.718 1.00 0.00 C ATOM 0 H LEU A 26 15.886 9.357 25.042 1.00 0.00 H new ATOM 0 HA LEU A 26 15.169 9.767 27.640 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.716 8.771 25.922 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.731 7.345 25.828 1.00 0.00 H new ATOM 0 HG LEU A 26 12.584 7.089 27.156 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.602 5.748 28.976 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.402 5.464 27.411 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.181 6.495 28.635 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.577 7.961 29.490 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.094 8.832 29.157 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.604 9.277 28.292 1.00 0.00 H new ATOM 329 N VAL A 27 17.243 7.240 27.444 1.00 0.00 N ATOM 330 CA VAL A 27 18.106 6.398 28.265 1.00 0.00 C ATOM 331 C VAL A 27 19.100 7.279 29.014 1.00 0.00 C ATOM 332 O VAL A 27 19.158 7.271 30.242 1.00 0.00 O ATOM 333 CB VAL A 27 18.855 5.395 27.391 1.00 0.00 C ATOM 334 CG1 VAL A 27 19.744 4.507 28.271 1.00 0.00 C ATOM 335 CG2 VAL A 27 17.844 4.526 26.639 1.00 0.00 C ATOM 0 H VAL A 27 17.383 7.151 26.438 1.00 0.00 H new ATOM 0 HA VAL A 27 17.495 5.846 28.979 1.00 0.00 H new ATOM 0 HB VAL A 27 19.480 5.930 26.676 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.278 3.792 27.645 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.463 5.128 28.806 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.124 3.969 28.989 1.00 0.00 H new ATOM 0 HG21 VAL A 27 18.375 3.808 26.014 1.00 0.00 H new ATOM 0 HG22 VAL A 27 17.220 3.991 27.355 1.00 0.00 H new ATOM 0 HG23 VAL A 27 17.216 5.159 26.012 1.00 0.00 H new ATOM 345 N MET A 28 19.876 8.037 28.257 1.00 0.00 N ATOM 346 CA MET A 28 20.872 8.927 28.844 1.00 0.00 C ATOM 347 C MET A 28 20.203 9.939 29.765 1.00 0.00 C ATOM 348 O MET A 28 20.842 10.489 30.663 1.00 0.00 O ATOM 349 CB MET A 28 21.653 9.653 27.743 1.00 0.00 C ATOM 350 CG MET A 28 22.667 8.693 27.113 1.00 0.00 C ATOM 351 SD MET A 28 23.682 9.588 25.910 1.00 0.00 S ATOM 352 CE MET A 28 22.396 9.873 24.670 1.00 0.00 C ATOM 0 H MET A 28 19.838 8.056 27.238 1.00 0.00 H new ATOM 0 HA MET A 28 21.568 8.327 29.430 1.00 0.00 H new ATOM 0 HB2 MET A 28 20.967 10.025 26.982 1.00 0.00 H new ATOM 0 HB3 MET A 28 22.167 10.519 28.159 1.00 0.00 H new ATOM 0 HG2 MET A 28 23.300 8.258 27.886 1.00 0.00 H new ATOM 0 HG3 MET A 28 22.148 7.868 26.624 1.00 0.00 H new ATOM 0 HE1 MET A 28 22.857 9.999 23.690 1.00 0.00 H new ATOM 0 HE2 MET A 28 21.719 9.019 24.645 1.00 0.00 H new ATOM 0 HE3 MET A 28 21.836 10.772 24.926 1.00 0.00 H new ATOM 362 N LEU A 29 18.914 10.172 29.554 1.00 0.00 N ATOM 363 CA LEU A 29 18.182 11.110 30.392 1.00 0.00 C ATOM 364 C LEU A 29 17.796 10.440 31.705 1.00 0.00 C ATOM 365 O LEU A 29 17.274 11.089 32.607 1.00 0.00 O ATOM 366 CB LEU A 29 16.913 11.586 29.678 1.00 0.00 C ATOM 367 CG LEU A 29 17.265 12.549 28.531 1.00 0.00 C ATOM 368 CD1 LEU A 29 16.019 12.774 27.666 1.00 0.00 C ATOM 369 CD2 LEU A 29 17.755 13.903 29.087 1.00 0.00 C ATOM 0 H LEU A 29 18.361 9.731 28.820 1.00 0.00 H new ATOM 0 HA LEU A 29 18.824 11.968 30.592 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.367 10.728 29.285 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.254 12.085 30.389 1.00 0.00 H new ATOM 0 HG LEU A 29 18.064 12.110 27.933 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.260 13.456 26.851 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.684 11.821 27.255 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.225 13.205 28.276 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.999 14.569 28.260 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.970 14.352 29.695 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.643 13.745 29.699 1.00 0.00 H new ATOM 381 N LYS A 30 18.061 9.139 31.818 1.00 0.00 N ATOM 382 CA LYS A 30 17.733 8.423 33.045 1.00 0.00 C ATOM 383 C LYS A 30 18.522 9.003 34.207 1.00 0.00 C ATOM 384 O LYS A 30 18.267 8.681 35.368 1.00 0.00 O ATOM 385 CB LYS A 30 18.056 6.934 32.907 1.00 0.00 C ATOM 386 CG LYS A 30 17.045 6.275 31.964 1.00 0.00 C ATOM 387 CD LYS A 30 17.473 4.835 31.660 1.00 0.00 C ATOM 388 CE LYS A 30 17.197 3.930 32.866 1.00 0.00 C ATOM 389 NZ LYS A 30 17.390 2.507 32.469 1.00 0.00 N ATOM 0 H LYS A 30 18.493 8.571 31.090 1.00 0.00 H new ATOM 0 HA LYS A 30 16.665 8.535 33.232 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.067 6.805 32.520 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.025 6.452 33.884 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.054 6.280 32.418 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.974 6.845 31.038 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.933 4.465 30.788 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.534 4.809 31.413 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.867 4.184 33.687 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.180 4.084 33.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.203 1.890 33.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.733 2.269 31.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.368 2.366 32.146 1.00 0.00 H new ATOM 403 N LYS A 31 19.477 9.879 33.888 1.00 0.00 N ATOM 404 CA LYS A 31 20.297 10.524 34.913 1.00 0.00 C ATOM 405 C LYS A 31 19.811 11.956 35.134 1.00 0.00 C ATOM 406 O LYS A 31 20.537 12.796 35.666 1.00 0.00 O ATOM 407 CB LYS A 31 21.766 10.544 34.474 1.00 0.00 C ATOM 408 CG LYS A 31 22.240 9.120 34.153 1.00 0.00 C ATOM 409 CD LYS A 31 22.250 8.260 35.424 1.00 0.00 C ATOM 410 CE LYS A 31 23.121 7.019 35.201 1.00 0.00 C ATOM 411 NZ LYS A 31 24.558 7.404 35.277 1.00 0.00 N ATOM 0 H LYS A 31 19.700 10.157 32.932 1.00 0.00 H new ATOM 0 HA LYS A 31 20.209 9.962 35.843 1.00 0.00 H new ATOM 0 HB2 LYS A 31 21.883 11.181 33.597 1.00 0.00 H new ATOM 0 HB3 LYS A 31 22.384 10.972 35.263 1.00 0.00 H new ATOM 0 HG2 LYS A 31 21.584 8.671 33.408 1.00 0.00 H new ATOM 0 HG3 LYS A 31 23.240 9.152 33.720 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.634 8.839 36.264 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.234 7.961 35.681 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.895 6.263 35.953 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.902 6.577 34.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 25.139 6.552 35.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 24.839 7.875 34.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 24.701 8.054 36.076 1.00 0.00 H new ATOM 425 N LYS A 32 18.570 12.218 34.725 1.00 0.00 N ATOM 426 CA LYS A 32 17.990 13.551 34.888 1.00 0.00 C ATOM 427 C LYS A 32 18.251 14.061 36.306 1.00 0.00 C ATOM 428 O LYS A 32 19.162 14.856 36.471 1.00 0.00 O ATOM 429 CB LYS A 32 16.470 13.514 34.615 1.00 0.00 C ATOM 430 CG LYS A 32 15.985 14.873 34.085 1.00 0.00 C ATOM 431 CD LYS A 32 16.232 15.963 35.134 1.00 0.00 C ATOM 432 CE LYS A 32 15.495 17.244 34.734 1.00 0.00 C ATOM 433 NZ LYS A 32 14.049 17.113 35.072 1.00 0.00 N ATOM 0 H LYS A 32 17.954 11.535 34.284 1.00 0.00 H new ATOM 0 HA LYS A 32 18.458 14.226 34.171 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.244 12.732 33.890 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.936 13.263 35.531 1.00 0.00 H new ATOM 0 HG2 LYS A 32 16.508 15.120 33.161 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.923 14.821 33.845 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.888 15.625 36.111 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.300 16.160 35.223 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.925 18.100 35.254 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.615 17.426 33.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.585 18.039 34.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.602 16.433 34.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.950 16.776 36.051 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -6.116 -2.491 3.295 1.00 0.00 N ATOM 449 CA LYS B 5 -4.720 -2.952 3.536 1.00 0.00 C ATOM 450 C LYS B 5 -4.230 -2.410 4.876 1.00 0.00 C ATOM 451 O LYS B 5 -3.159 -1.812 4.960 1.00 0.00 O ATOM 452 CB LYS B 5 -3.819 -2.453 2.401 1.00 0.00 C ATOM 453 CG LYS B 5 -4.185 -3.178 1.103 1.00 0.00 C ATOM 454 CD LYS B 5 -3.303 -2.666 -0.039 1.00 0.00 C ATOM 455 CE LYS B 5 -3.659 -3.408 -1.329 1.00 0.00 C ATOM 456 NZ LYS B 5 -2.804 -2.908 -2.444 1.00 0.00 N ATOM 0 HA LYS B 5 -4.689 -4.041 3.563 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -3.937 -1.377 2.275 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -2.772 -2.632 2.648 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.051 -4.253 1.225 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -5.236 -3.012 0.866 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -3.447 -1.594 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -2.251 -2.819 0.203 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -3.512 -4.480 -1.197 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -4.712 -3.258 -1.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.046 -3.413 -3.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.965 -1.889 -2.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -1.803 -3.073 -2.215 1.00 0.00 H new ATOM 469 N GLY B 6 -5.023 -2.623 5.921 1.00 0.00 N ATOM 470 CA GLY B 6 -4.662 -2.157 7.257 1.00 0.00 C ATOM 471 C GLY B 6 -3.473 -2.936 7.815 1.00 0.00 C ATOM 472 O GLY B 6 -2.615 -2.374 8.491 1.00 0.00 O ATOM 0 H GLY B 6 -5.916 -3.113 5.870 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -4.419 -1.095 7.220 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -5.516 -2.265 7.925 1.00 0.00 H new ATOM 476 N ALA B 7 -3.432 -4.235 7.535 1.00 0.00 N ATOM 477 CA ALA B 7 -2.347 -5.081 8.028 1.00 0.00 C ATOM 478 C ALA B 7 -0.992 -4.436 7.758 1.00 0.00 C ATOM 479 O ALA B 7 -0.002 -4.750 8.419 1.00 0.00 O ATOM 480 CB ALA B 7 -2.402 -6.450 7.349 1.00 0.00 C ATOM 0 H ALA B 7 -4.130 -4.723 6.974 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.471 -5.201 9.104 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.590 -7.074 7.722 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -3.357 -6.927 7.569 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -2.298 -6.326 6.271 1.00 0.00 H new ATOM 486 N ILE B 8 -0.954 -3.541 6.781 1.00 0.00 N ATOM 487 CA ILE B 8 0.289 -2.867 6.432 1.00 0.00 C ATOM 488 C ILE B 8 0.776 -2.018 7.611 1.00 0.00 C ATOM 489 O ILE B 8 1.955 -2.038 7.949 1.00 0.00 O ATOM 490 CB ILE B 8 0.077 -1.995 5.179 1.00 0.00 C ATOM 491 CG1 ILE B 8 0.077 -2.885 3.926 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.205 -0.963 5.051 1.00 0.00 C ATOM 493 CD1 ILE B 8 -0.895 -4.053 4.112 1.00 0.00 C ATOM 0 H ILE B 8 -1.761 -3.266 6.221 1.00 0.00 H new ATOM 0 HA ILE B 8 1.053 -3.612 6.210 1.00 0.00 H new ATOM 0 HB ILE B 8 -0.878 -1.478 5.273 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.210 -2.298 3.053 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.082 -3.264 3.739 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.042 -0.354 4.162 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.214 -0.322 5.933 1.00 0.00 H new ATOM 0 HG23 ILE B 8 2.162 -1.478 4.968 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.888 -4.678 3.219 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.589 -4.647 4.973 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -1.901 -3.667 4.277 1.00 0.00 H new ATOM 505 N ILE B 9 -0.134 -1.273 8.231 1.00 0.00 N ATOM 506 CA ILE B 9 0.233 -0.432 9.369 1.00 0.00 C ATOM 507 C ILE B 9 0.583 -1.291 10.587 1.00 0.00 C ATOM 508 O ILE B 9 1.311 -0.860 11.480 1.00 0.00 O ATOM 509 CB ILE B 9 -0.917 0.551 9.702 1.00 0.00 C ATOM 510 CG1 ILE B 9 -0.348 1.822 10.375 1.00 0.00 C ATOM 511 CG2 ILE B 9 -1.941 -0.115 10.644 1.00 0.00 C ATOM 512 CD1 ILE B 9 0.140 2.817 9.313 1.00 0.00 C ATOM 0 H ILE B 9 -1.119 -1.233 7.970 1.00 0.00 H new ATOM 0 HA ILE B 9 1.116 0.148 9.101 1.00 0.00 H new ATOM 0 HB ILE B 9 -1.416 0.825 8.773 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -1.115 2.288 10.994 1.00 0.00 H new ATOM 0 HG13 ILE B 9 0.476 1.553 11.036 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -2.742 0.590 10.867 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.359 -0.998 10.161 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.447 -0.408 11.570 1.00 0.00 H new ATOM 0 HD11 ILE B 9 0.537 3.706 9.803 1.00 0.00 H new ATOM 0 HD12 ILE B 9 0.922 2.353 8.712 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -0.693 3.099 8.669 1.00 0.00 H new ATOM 524 N GLY B 10 0.027 -2.496 10.619 1.00 0.00 N ATOM 525 CA GLY B 10 0.252 -3.406 11.737 1.00 0.00 C ATOM 526 C GLY B 10 1.741 -3.605 12.013 1.00 0.00 C ATOM 527 O GLY B 10 2.170 -3.595 13.168 1.00 0.00 O ATOM 0 H GLY B 10 -0.580 -2.865 9.887 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.234 -3.013 12.630 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -0.210 -4.369 11.521 1.00 0.00 H new ATOM 531 N LEU B 11 2.528 -3.778 10.955 1.00 0.00 N ATOM 532 CA LEU B 11 3.970 -3.970 11.107 1.00 0.00 C ATOM 533 C LEU B 11 4.681 -2.627 11.268 1.00 0.00 C ATOM 534 O LEU B 11 5.746 -2.546 11.879 1.00 0.00 O ATOM 535 CB LEU B 11 4.529 -4.724 9.892 1.00 0.00 C ATOM 536 CG LEU B 11 4.571 -3.802 8.641 1.00 0.00 C ATOM 537 CD1 LEU B 11 5.994 -3.283 8.404 1.00 0.00 C ATOM 538 CD2 LEU B 11 4.113 -4.583 7.399 1.00 0.00 C ATOM 0 H LEU B 11 2.197 -3.790 9.990 1.00 0.00 H new ATOM 0 HA LEU B 11 4.148 -4.561 12.006 1.00 0.00 H new ATOM 0 HB2 LEU B 11 5.532 -5.088 10.114 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.911 -5.598 9.685 1.00 0.00 H new ATOM 0 HG LEU B 11 3.904 -2.958 8.816 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.005 -2.639 7.524 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.324 -2.715 9.274 1.00 0.00 H new ATOM 0 HD13 LEU B 11 6.667 -4.126 8.245 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.145 -3.930 6.527 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.775 -5.434 7.240 1.00 0.00 H new ATOM 0 HD23 LEU B 11 3.094 -4.939 7.548 1.00 0.00 H new ATOM 550 N MET B 12 4.080 -1.577 10.718 1.00 0.00 N ATOM 551 CA MET B 12 4.643 -0.253 10.799 1.00 0.00 C ATOM 552 C MET B 12 4.828 0.162 12.250 1.00 0.00 C ATOM 553 O MET B 12 5.946 0.405 12.700 1.00 0.00 O ATOM 554 CB MET B 12 3.682 0.700 10.102 1.00 0.00 C ATOM 555 CG MET B 12 4.324 2.068 9.919 1.00 0.00 C ATOM 556 SD MET B 12 4.190 3.021 11.457 1.00 0.00 S ATOM 557 CE MET B 12 5.933 3.494 11.626 1.00 0.00 C ATOM 0 H MET B 12 3.197 -1.628 10.210 1.00 0.00 H new ATOM 0 HA MET B 12 5.622 -0.231 10.320 1.00 0.00 H new ATOM 0 HB2 MET B 12 3.397 0.293 9.132 1.00 0.00 H new ATOM 0 HB3 MET B 12 2.768 0.797 10.688 1.00 0.00 H new ATOM 0 HG2 MET B 12 5.372 1.954 9.641 1.00 0.00 H new ATOM 0 HG3 MET B 12 3.835 2.603 9.105 1.00 0.00 H new ATOM 0 HE1 MET B 12 6.092 3.955 12.601 1.00 0.00 H new ATOM 0 HE2 MET B 12 6.561 2.607 11.537 1.00 0.00 H new ATOM 0 HE3 MET B 12 6.195 4.204 10.842 1.00 0.00 H new ATOM 567 N VAL B 13 3.723 0.237 12.977 1.00 0.00 N ATOM 568 CA VAL B 13 3.779 0.623 14.375 1.00 0.00 C ATOM 569 C VAL B 13 4.638 -0.363 15.155 1.00 0.00 C ATOM 570 O VAL B 13 5.187 -0.027 16.204 1.00 0.00 O ATOM 571 CB VAL B 13 2.370 0.678 14.962 1.00 0.00 C ATOM 572 CG1 VAL B 13 1.553 1.731 14.208 1.00 0.00 C ATOM 573 CG2 VAL B 13 1.702 -0.692 14.816 1.00 0.00 C ATOM 0 H VAL B 13 2.787 0.038 12.625 1.00 0.00 H new ATOM 0 HA VAL B 13 4.227 1.614 14.450 1.00 0.00 H new ATOM 0 HB VAL B 13 2.421 0.942 16.018 1.00 0.00 H new ATOM 0 HG11 VAL B 13 0.546 1.775 14.622 1.00 0.00 H new ATOM 0 HG12 VAL B 13 2.031 2.705 14.311 1.00 0.00 H new ATOM 0 HG13 VAL B 13 1.500 1.463 13.153 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.696 -0.653 15.235 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.645 -0.959 13.761 1.00 0.00 H new ATOM 0 HG23 VAL B 13 2.288 -1.441 15.348 1.00 0.00 H new ATOM 583 N GLY B 14 4.769 -1.577 14.629 1.00 0.00 N ATOM 584 CA GLY B 14 5.588 -2.588 15.283 1.00 0.00 C ATOM 585 C GLY B 14 7.061 -2.202 15.218 1.00 0.00 C ATOM 586 O GLY B 14 7.791 -2.339 16.198 1.00 0.00 O ATOM 0 H GLY B 14 4.324 -1.881 13.763 1.00 0.00 H new ATOM 0 HA2 GLY B 14 5.280 -2.698 16.323 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.437 -3.554 14.802 1.00 0.00 H new ATOM 590 N GLY B 15 7.501 -1.726 14.054 1.00 0.00 N ATOM 591 CA GLY B 15 8.893 -1.336 13.892 1.00 0.00 C ATOM 592 C GLY B 15 9.313 -0.350 14.976 1.00 0.00 C ATOM 593 O GLY B 15 10.224 -0.623 15.749 1.00 0.00 O ATOM 0 H GLY B 15 6.921 -1.604 13.224 1.00 0.00 H new ATOM 0 HA2 GLY B 15 9.529 -2.220 13.933 1.00 0.00 H new ATOM 0 HA3 GLY B 15 9.036 -0.885 12.910 1.00 0.00 H new ATOM 597 N VAL B 16 8.657 0.802 15.020 1.00 0.00 N ATOM 598 CA VAL B 16 8.993 1.822 16.006 1.00 0.00 C ATOM 599 C VAL B 16 9.046 1.233 17.413 1.00 0.00 C ATOM 600 O VAL B 16 9.745 1.756 18.275 1.00 0.00 O ATOM 601 CB VAL B 16 7.965 2.957 15.958 1.00 0.00 C ATOM 602 CG1 VAL B 16 8.147 3.755 14.670 1.00 0.00 C ATOM 603 CG2 VAL B 16 6.552 2.375 15.992 1.00 0.00 C ATOM 0 H VAL B 16 7.895 1.053 14.390 1.00 0.00 H new ATOM 0 HA VAL B 16 9.980 2.215 15.762 1.00 0.00 H new ATOM 0 HB VAL B 16 8.111 3.609 16.819 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.416 4.562 14.636 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.153 4.175 14.641 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.003 3.099 13.812 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.824 3.185 15.958 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.407 1.721 15.132 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.416 1.804 16.910 1.00 0.00 H new ATOM 613 N VAL B 17 8.305 0.148 17.635 1.00 0.00 N ATOM 614 CA VAL B 17 8.286 -0.503 18.950 1.00 0.00 C ATOM 615 C VAL B 17 9.490 -1.440 19.124 1.00 0.00 C ATOM 616 O VAL B 17 10.155 -1.433 20.158 1.00 0.00 O ATOM 617 CB VAL B 17 6.987 -1.298 19.142 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.121 -2.214 20.367 1.00 0.00 C ATOM 619 CG2 VAL B 17 5.820 -0.332 19.358 1.00 0.00 C ATOM 0 H VAL B 17 7.715 -0.297 16.932 1.00 0.00 H new ATOM 0 HA VAL B 17 8.342 0.282 19.704 1.00 0.00 H new ATOM 0 HB VAL B 17 6.800 -1.901 18.254 1.00 0.00 H new ATOM 0 HG11 VAL B 17 6.198 -2.778 20.502 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.950 -2.905 20.215 1.00 0.00 H new ATOM 0 HG13 VAL B 17 7.310 -1.610 21.254 1.00 0.00 H new ATOM 0 HG21 VAL B 17 4.899 -0.899 19.494 1.00 0.00 H new ATOM 0 HG22 VAL B 17 6.008 0.273 20.245 1.00 0.00 H new ATOM 0 HG23 VAL B 17 5.721 0.319 18.489 1.00 0.00 H new ATOM 629 N ILE B 18 9.751 -2.262 18.118 1.00 0.00 N ATOM 630 CA ILE B 18 10.871 -3.192 18.203 1.00 0.00 C ATOM 631 C ILE B 18 12.190 -2.422 18.181 1.00 0.00 C ATOM 632 O ILE B 18 13.111 -2.709 18.946 1.00 0.00 O ATOM 633 CB ILE B 18 10.818 -4.198 17.050 1.00 0.00 C ATOM 634 CG1 ILE B 18 9.599 -5.106 17.236 1.00 0.00 C ATOM 635 CG2 ILE B 18 12.088 -5.054 17.056 1.00 0.00 C ATOM 636 CD1 ILE B 18 9.375 -5.933 15.969 1.00 0.00 C ATOM 0 H ILE B 18 9.217 -2.306 17.250 1.00 0.00 H new ATOM 0 HA ILE B 18 10.802 -3.743 19.141 1.00 0.00 H new ATOM 0 HB ILE B 18 10.745 -3.664 16.102 1.00 0.00 H new ATOM 0 HG12 ILE B 18 9.752 -5.766 18.090 1.00 0.00 H new ATOM 0 HG13 ILE B 18 8.715 -4.505 17.451 1.00 0.00 H new ATOM 0 HG21 ILE B 18 12.048 -5.769 16.235 1.00 0.00 H new ATOM 0 HG22 ILE B 18 12.960 -4.412 16.936 1.00 0.00 H new ATOM 0 HG23 ILE B 18 12.160 -5.591 18.002 1.00 0.00 H new ATOM 0 HD11 ILE B 18 8.507 -6.578 16.104 1.00 0.00 H new ATOM 0 HD12 ILE B 18 9.203 -5.266 15.125 1.00 0.00 H new ATOM 0 HD13 ILE B 18 10.255 -6.545 15.774 1.00 0.00 H new ATOM 648 N ALA B 19 12.270 -1.462 17.271 1.00 0.00 N ATOM 649 CA ALA B 19 13.476 -0.661 17.103 1.00 0.00 C ATOM 650 C ALA B 19 13.894 0.011 18.407 1.00 0.00 C ATOM 651 O ALA B 19 15.083 0.064 18.720 1.00 0.00 O ATOM 652 CB ALA B 19 13.252 0.404 16.028 1.00 0.00 C ATOM 0 H ALA B 19 11.511 -1.217 16.635 1.00 0.00 H new ATOM 0 HA ALA B 19 14.277 -1.333 16.797 1.00 0.00 H new ATOM 0 HB1 ALA B 19 14.158 0.998 15.909 1.00 0.00 H new ATOM 0 HB2 ALA B 19 13.009 -0.080 15.082 1.00 0.00 H new ATOM 0 HB3 ALA B 19 12.429 1.054 16.326 1.00 0.00 H new ATOM 658 N THR B 20 12.934 0.525 19.174 1.00 0.00 N ATOM 659 CA THR B 20 13.285 1.179 20.433 1.00 0.00 C ATOM 660 C THR B 20 13.629 0.142 21.486 1.00 0.00 C ATOM 661 O THR B 20 14.393 0.406 22.413 1.00 0.00 O ATOM 662 CB THR B 20 12.141 2.051 20.947 1.00 0.00 C ATOM 663 OG1 THR B 20 12.479 2.544 22.234 1.00 0.00 O ATOM 664 CG2 THR B 20 10.861 1.230 21.046 1.00 0.00 C ATOM 0 H THR B 20 11.938 0.504 18.956 1.00 0.00 H new ATOM 0 HA THR B 20 14.150 1.814 20.241 1.00 0.00 H new ATOM 0 HB THR B 20 11.981 2.879 20.257 1.00 0.00 H new ATOM 0 HG1 THR B 20 11.686 2.525 22.810 1.00 0.00 H new ATOM 0 HG21 THR B 20 10.052 1.861 21.413 1.00 0.00 H new ATOM 0 HG22 THR B 20 10.600 0.842 20.061 1.00 0.00 H new ATOM 0 HG23 THR B 20 11.014 0.399 21.734 1.00 0.00 H new ATOM 672 N MET B 21 13.052 -1.040 21.348 1.00 0.00 N ATOM 673 CA MET B 21 13.312 -2.103 22.299 1.00 0.00 C ATOM 674 C MET B 21 14.718 -2.659 22.122 1.00 0.00 C ATOM 675 O MET B 21 15.397 -2.954 23.105 1.00 0.00 O ATOM 676 CB MET B 21 12.270 -3.217 22.145 1.00 0.00 C ATOM 677 CG MET B 21 10.950 -2.790 22.802 1.00 0.00 C ATOM 678 SD MET B 21 11.162 -2.705 24.605 1.00 0.00 S ATOM 679 CE MET B 21 10.924 -0.919 24.816 1.00 0.00 C ATOM 0 H MET B 21 12.408 -1.284 20.596 1.00 0.00 H new ATOM 0 HA MET B 21 13.238 -1.690 23.305 1.00 0.00 H new ATOM 0 HB2 MET B 21 12.108 -3.432 21.089 1.00 0.00 H new ATOM 0 HB3 MET B 21 12.635 -4.135 22.605 1.00 0.00 H new ATOM 0 HG2 MET B 21 10.638 -1.819 22.417 1.00 0.00 H new ATOM 0 HG3 MET B 21 10.162 -3.500 22.552 1.00 0.00 H new ATOM 0 HE1 MET B 21 11.306 -0.614 25.790 1.00 0.00 H new ATOM 0 HE2 MET B 21 11.461 -0.385 24.032 1.00 0.00 H new ATOM 0 HE3 MET B 21 9.862 -0.684 24.753 1.00 0.00 H new ATOM 689 N ILE B 22 15.162 -2.812 20.876 1.00 0.00 N ATOM 690 CA ILE B 22 16.492 -3.343 20.621 1.00 0.00 C ATOM 691 C ILE B 22 17.583 -2.366 21.053 1.00 0.00 C ATOM 692 O ILE B 22 18.570 -2.767 21.653 1.00 0.00 O ATOM 693 CB ILE B 22 16.634 -3.645 19.127 1.00 0.00 C ATOM 694 CG1 ILE B 22 15.701 -4.803 18.759 1.00 0.00 C ATOM 695 CG2 ILE B 22 18.079 -4.038 18.806 1.00 0.00 C ATOM 696 CD1 ILE B 22 15.627 -4.935 17.237 1.00 0.00 C ATOM 0 H ILE B 22 14.626 -2.578 20.040 1.00 0.00 H new ATOM 0 HA ILE B 22 16.613 -4.255 21.206 1.00 0.00 H new ATOM 0 HB ILE B 22 16.370 -2.756 18.553 1.00 0.00 H new ATOM 0 HG12 ILE B 22 16.066 -5.732 19.198 1.00 0.00 H new ATOM 0 HG13 ILE B 22 14.706 -4.627 19.168 1.00 0.00 H new ATOM 0 HG21 ILE B 22 18.170 -4.251 17.741 1.00 0.00 H new ATOM 0 HG22 ILE B 22 18.746 -3.218 19.070 1.00 0.00 H new ATOM 0 HG23 ILE B 22 18.350 -4.925 19.378 1.00 0.00 H new ATOM 0 HD11 ILE B 22 14.963 -5.759 16.975 1.00 0.00 H new ATOM 0 HD12 ILE B 22 15.242 -4.009 16.810 1.00 0.00 H new ATOM 0 HD13 ILE B 22 16.623 -5.131 16.840 1.00 0.00 H new ATOM 708 N VAL B 23 17.438 -1.095 20.698 1.00 0.00 N ATOM 709 CA VAL B 23 18.466 -0.112 21.028 1.00 0.00 C ATOM 710 C VAL B 23 18.602 0.100 22.534 1.00 0.00 C ATOM 711 O VAL B 23 19.690 0.369 23.036 1.00 0.00 O ATOM 712 CB VAL B 23 18.154 1.223 20.348 1.00 0.00 C ATOM 713 CG1 VAL B 23 18.040 1.022 18.810 1.00 0.00 C ATOM 714 CG2 VAL B 23 16.846 1.787 20.921 1.00 0.00 C ATOM 0 H VAL B 23 16.635 -0.724 20.191 1.00 0.00 H new ATOM 0 HA VAL B 23 19.415 -0.504 20.662 1.00 0.00 H new ATOM 0 HB VAL B 23 18.960 1.932 20.539 1.00 0.00 H new ATOM 0 HG11 VAL B 23 17.818 1.977 18.334 1.00 0.00 H new ATOM 0 HG12 VAL B 23 18.982 0.634 18.423 1.00 0.00 H new ATOM 0 HG13 VAL B 23 17.240 0.314 18.594 1.00 0.00 H new ATOM 0 HG21 VAL B 23 16.619 2.738 20.440 1.00 0.00 H new ATOM 0 HG22 VAL B 23 16.034 1.083 20.736 1.00 0.00 H new ATOM 0 HG23 VAL B 23 16.955 1.940 21.995 1.00 0.00 H new ATOM 724 N ILE B 24 17.501 0.000 23.255 1.00 0.00 N ATOM 725 CA ILE B 24 17.541 0.204 24.705 1.00 0.00 C ATOM 726 C ILE B 24 18.766 -0.523 25.304 1.00 0.00 C ATOM 727 O ILE B 24 19.543 0.070 26.053 1.00 0.00 O ATOM 728 CB ILE B 24 16.183 -0.286 25.313 1.00 0.00 C ATOM 729 CG1 ILE B 24 15.432 0.892 25.958 1.00 0.00 C ATOM 730 CG2 ILE B 24 16.375 -1.390 26.367 1.00 0.00 C ATOM 731 CD1 ILE B 24 14.897 1.826 24.863 1.00 0.00 C ATOM 0 H ILE B 24 16.579 -0.217 22.876 1.00 0.00 H new ATOM 0 HA ILE B 24 17.657 1.260 24.950 1.00 0.00 H new ATOM 0 HB ILE B 24 15.603 -0.701 24.489 1.00 0.00 H new ATOM 0 HG12 ILE B 24 14.608 0.521 26.567 1.00 0.00 H new ATOM 0 HG13 ILE B 24 16.099 1.440 26.623 1.00 0.00 H new ATOM 0 HG21 ILE B 24 15.403 -1.694 26.757 1.00 0.00 H new ATOM 0 HG22 ILE B 24 16.867 -2.248 25.909 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.991 -1.011 27.183 1.00 0.00 H new ATOM 0 HD11 ILE B 24 14.366 2.659 25.323 1.00 0.00 H new ATOM 0 HD12 ILE B 24 15.729 2.208 24.272 1.00 0.00 H new ATOM 0 HD13 ILE B 24 14.216 1.274 24.215 1.00 0.00 H new ATOM 743 N THR B 25 18.929 -1.795 24.959 1.00 0.00 N ATOM 744 CA THR B 25 20.073 -2.563 25.470 1.00 0.00 C ATOM 745 C THR B 25 21.378 -1.996 24.902 1.00 0.00 C ATOM 746 O THR B 25 22.327 -1.737 25.640 1.00 0.00 O ATOM 747 CB THR B 25 19.963 -4.063 25.154 1.00 0.00 C ATOM 748 OG1 THR B 25 21.240 -4.667 25.301 1.00 0.00 O ATOM 749 CG2 THR B 25 19.468 -4.275 23.730 1.00 0.00 C ATOM 0 H THR B 25 18.303 -2.313 24.342 1.00 0.00 H new ATOM 0 HA THR B 25 20.071 -2.465 26.556 1.00 0.00 H new ATOM 0 HB THR B 25 19.252 -4.516 25.844 1.00 0.00 H new ATOM 0 HG1 THR B 25 21.146 -5.642 25.276 1.00 0.00 H new ATOM 0 HG21 THR B 25 19.397 -5.343 23.525 1.00 0.00 H new ATOM 0 HG22 THR B 25 18.486 -3.817 23.614 1.00 0.00 H new ATOM 0 HG23 THR B 25 20.167 -3.817 23.030 1.00 0.00 H new ATOM 757 N LEU B 26 21.412 -1.810 23.585 1.00 0.00 N ATOM 758 CA LEU B 26 22.601 -1.276 22.905 1.00 0.00 C ATOM 759 C LEU B 26 23.205 -0.124 23.703 1.00 0.00 C ATOM 760 O LEU B 26 24.422 -0.004 23.821 1.00 0.00 O ATOM 761 CB LEU B 26 22.188 -0.791 21.507 1.00 0.00 C ATOM 762 CG LEU B 26 23.332 -0.070 20.765 1.00 0.00 C ATOM 763 CD1 LEU B 26 23.565 1.358 21.320 1.00 0.00 C ATOM 764 CD2 LEU B 26 24.623 -0.902 20.836 1.00 0.00 C ATOM 0 H LEU B 26 20.632 -2.020 22.962 1.00 0.00 H new ATOM 0 HA LEU B 26 23.355 -2.058 22.821 1.00 0.00 H new ATOM 0 HB2 LEU B 26 21.857 -1.644 20.914 1.00 0.00 H new ATOM 0 HB3 LEU B 26 21.337 -0.116 21.598 1.00 0.00 H new ATOM 0 HG LEU B 26 23.039 0.033 19.720 1.00 0.00 H new ATOM 0 HD11 LEU B 26 24.378 1.833 20.772 1.00 0.00 H new ATOM 0 HD12 LEU B 26 22.655 1.947 21.202 1.00 0.00 H new ATOM 0 HD13 LEU B 26 23.825 1.300 22.377 1.00 0.00 H new ATOM 0 HD21 LEU B 26 25.421 -0.381 20.308 1.00 0.00 H new ATOM 0 HD22 LEU B 26 24.909 -1.042 21.879 1.00 0.00 H new ATOM 0 HD23 LEU B 26 24.456 -1.874 20.372 1.00 0.00 H new ATOM 776 N VAL B 27 22.349 0.690 24.294 1.00 0.00 N ATOM 777 CA VAL B 27 22.834 1.797 25.111 1.00 0.00 C ATOM 778 C VAL B 27 23.479 1.239 26.377 1.00 0.00 C ATOM 779 O VAL B 27 24.649 1.483 26.655 1.00 0.00 O ATOM 780 CB VAL B 27 21.682 2.728 25.480 1.00 0.00 C ATOM 781 CG1 VAL B 27 22.213 3.895 26.321 1.00 0.00 C ATOM 782 CG2 VAL B 27 21.037 3.267 24.201 1.00 0.00 C ATOM 0 H VAL B 27 21.334 0.612 24.229 1.00 0.00 H new ATOM 0 HA VAL B 27 23.570 2.367 24.545 1.00 0.00 H new ATOM 0 HB VAL B 27 20.939 2.178 26.058 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.389 4.559 26.584 1.00 0.00 H new ATOM 0 HG12 VAL B 27 22.672 3.508 27.231 1.00 0.00 H new ATOM 0 HG13 VAL B 27 22.956 4.449 25.747 1.00 0.00 H new ATOM 0 HG21 VAL B 27 20.214 3.932 24.461 1.00 0.00 H new ATOM 0 HG22 VAL B 27 21.780 3.817 23.623 1.00 0.00 H new ATOM 0 HG23 VAL B 27 20.658 2.436 23.607 1.00 0.00 H new ATOM 792 N MET B 28 22.695 0.489 27.136 1.00 0.00 N ATOM 793 CA MET B 28 23.184 -0.107 28.376 1.00 0.00 C ATOM 794 C MET B 28 24.366 -1.024 28.095 1.00 0.00 C ATOM 795 O MET B 28 25.179 -1.289 28.980 1.00 0.00 O ATOM 796 CB MET B 28 22.063 -0.888 29.069 1.00 0.00 C ATOM 797 CG MET B 28 21.096 0.089 29.745 1.00 0.00 C ATOM 798 SD MET B 28 19.854 -0.838 30.683 1.00 0.00 S ATOM 799 CE MET B 28 18.966 -1.548 29.274 1.00 0.00 C ATOM 0 H MET B 28 21.721 0.277 26.919 1.00 0.00 H new ATOM 0 HA MET B 28 23.514 0.694 29.038 1.00 0.00 H new ATOM 0 HB2 MET B 28 21.529 -1.499 28.342 1.00 0.00 H new ATOM 0 HB3 MET B 28 22.484 -1.569 29.809 1.00 0.00 H new ATOM 0 HG2 MET B 28 21.644 0.758 30.409 1.00 0.00 H new ATOM 0 HG3 MET B 28 20.609 0.713 28.995 1.00 0.00 H new ATOM 0 HE1 MET B 28 17.952 -1.810 29.577 1.00 0.00 H new ATOM 0 HE2 MET B 28 18.926 -0.819 28.465 1.00 0.00 H new ATOM 0 HE3 MET B 28 19.485 -2.443 28.931 1.00 0.00 H new ATOM 809 N LEU B 29 24.469 -1.498 26.859 1.00 0.00 N ATOM 810 CA LEU B 29 25.572 -2.372 26.488 1.00 0.00 C ATOM 811 C LEU B 29 26.822 -1.542 26.224 1.00 0.00 C ATOM 812 O LEU B 29 27.901 -2.090 26.010 1.00 0.00 O ATOM 813 CB LEU B 29 25.221 -3.169 25.227 1.00 0.00 C ATOM 814 CG LEU B 29 24.181 -4.257 25.544 1.00 0.00 C ATOM 815 CD1 LEU B 29 23.646 -4.835 24.229 1.00 0.00 C ATOM 816 CD2 LEU B 29 24.813 -5.387 26.383 1.00 0.00 C ATOM 0 H LEU B 29 23.811 -1.295 26.107 1.00 0.00 H new ATOM 0 HA LEU B 29 25.756 -3.065 27.309 1.00 0.00 H new ATOM 0 HB2 LEU B 29 24.830 -2.497 24.463 1.00 0.00 H new ATOM 0 HB3 LEU B 29 26.121 -3.628 24.818 1.00 0.00 H new ATOM 0 HG LEU B 29 23.368 -3.813 26.118 1.00 0.00 H new ATOM 0 HD11 LEU B 29 22.908 -5.607 24.445 1.00 0.00 H new ATOM 0 HD12 LEU B 29 23.180 -4.041 23.645 1.00 0.00 H new ATOM 0 HD13 LEU B 29 24.469 -5.268 23.661 1.00 0.00 H new ATOM 0 HD21 LEU B 29 24.061 -6.146 26.596 1.00 0.00 H new ATOM 0 HD22 LEU B 29 25.635 -5.837 25.827 1.00 0.00 H new ATOM 0 HD23 LEU B 29 25.190 -4.977 27.320 1.00 0.00 H new ATOM 828 N LYS B 30 26.682 -0.218 26.249 1.00 0.00 N ATOM 829 CA LYS B 30 27.830 0.652 26.015 1.00 0.00 C ATOM 830 C LYS B 30 28.871 0.429 27.101 1.00 0.00 C ATOM 831 O LYS B 30 29.996 0.918 27.005 1.00 0.00 O ATOM 832 CB LYS B 30 27.408 2.122 26.013 1.00 0.00 C ATOM 833 CG LYS B 30 26.614 2.426 24.740 1.00 0.00 C ATOM 834 CD LYS B 30 26.018 3.837 24.817 1.00 0.00 C ATOM 835 CE LYS B 30 27.108 4.889 24.590 1.00 0.00 C ATOM 836 NZ LYS B 30 26.474 6.230 24.433 1.00 0.00 N ATOM 0 H LYS B 30 25.803 0.268 26.425 1.00 0.00 H new ATOM 0 HA LYS B 30 28.252 0.408 25.040 1.00 0.00 H new ATOM 0 HB2 LYS B 30 26.801 2.338 26.892 1.00 0.00 H new ATOM 0 HB3 LYS B 30 28.288 2.764 26.067 1.00 0.00 H new ATOM 0 HG2 LYS B 30 27.263 2.344 23.868 1.00 0.00 H new ATOM 0 HG3 LYS B 30 25.818 1.692 24.615 1.00 0.00 H new ATOM 0 HD2 LYS B 30 25.234 3.949 24.068 1.00 0.00 H new ATOM 0 HD3 LYS B 30 25.553 3.990 25.791 1.00 0.00 H new ATOM 0 HE2 LYS B 30 27.801 4.898 25.431 1.00 0.00 H new ATOM 0 HE3 LYS B 30 27.688 4.642 23.701 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 27.212 6.947 24.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 25.829 6.216 23.617 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 25.939 6.464 25.293 1.00 0.00 H new ATOM 850 N LYS B 31 28.490 -0.328 28.131 1.00 0.00 N ATOM 851 CA LYS B 31 29.403 -0.634 29.234 1.00 0.00 C ATOM 852 C LYS B 31 29.933 -2.059 29.084 1.00 0.00 C ATOM 853 O LYS B 31 30.418 -2.659 30.043 1.00 0.00 O ATOM 854 CB LYS B 31 28.671 -0.497 30.573 1.00 0.00 C ATOM 855 CG LYS B 31 28.050 0.902 30.695 1.00 0.00 C ATOM 856 CD LYS B 31 29.150 1.971 30.770 1.00 0.00 C ATOM 857 CE LYS B 31 28.566 3.273 31.328 1.00 0.00 C ATOM 858 NZ LYS B 31 28.387 3.145 32.800 1.00 0.00 N ATOM 0 H LYS B 31 27.561 -0.739 28.225 1.00 0.00 H new ATOM 0 HA LYS B 31 30.237 0.067 29.209 1.00 0.00 H new ATOM 0 HB2 LYS B 31 27.893 -1.257 30.650 1.00 0.00 H new ATOM 0 HB3 LYS B 31 29.366 -0.668 31.395 1.00 0.00 H new ATOM 0 HG2 LYS B 31 27.403 1.096 29.839 1.00 0.00 H new ATOM 0 HG3 LYS B 31 27.424 0.952 31.586 1.00 0.00 H new ATOM 0 HD2 LYS B 31 29.965 1.625 31.406 1.00 0.00 H new ATOM 0 HD3 LYS B 31 29.570 2.145 29.779 1.00 0.00 H new ATOM 0 HE2 LYS B 31 29.230 4.108 31.103 1.00 0.00 H new ATOM 0 HE3 LYS B 31 27.610 3.489 30.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 28.271 4.090 33.219 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 27.542 2.572 32.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 29.223 2.684 33.213 1.00 0.00 H new ATOM 872 N LYS B 32 29.837 -2.589 27.865 1.00 0.00 N ATOM 873 CA LYS B 32 30.314 -3.945 27.593 1.00 0.00 C ATOM 874 C LYS B 32 31.704 -4.137 28.202 1.00 0.00 C ATOM 875 O LYS B 32 31.787 -4.735 29.262 1.00 0.00 O ATOM 876 CB LYS B 32 30.367 -4.204 26.072 1.00 0.00 C ATOM 877 CG LYS B 32 30.161 -5.697 25.773 1.00 0.00 C ATOM 878 CD LYS B 32 31.283 -6.520 26.415 1.00 0.00 C ATOM 879 CE LYS B 32 31.243 -7.955 25.882 1.00 0.00 C ATOM 880 NZ LYS B 32 31.851 -7.997 24.522 1.00 0.00 N ATOM 0 H LYS B 32 29.438 -2.107 27.059 1.00 0.00 H new ATOM 0 HA LYS B 32 29.621 -4.656 28.043 1.00 0.00 H new ATOM 0 HB2 LYS B 32 29.598 -3.617 25.570 1.00 0.00 H new ATOM 0 HB3 LYS B 32 31.328 -3.877 25.675 1.00 0.00 H new ATOM 0 HG2 LYS B 32 29.194 -6.023 26.157 1.00 0.00 H new ATOM 0 HG3 LYS B 32 30.148 -5.862 24.696 1.00 0.00 H new ATOM 0 HD2 LYS B 32 32.250 -6.067 26.195 1.00 0.00 H new ATOM 0 HD3 LYS B 32 31.171 -6.522 27.499 1.00 0.00 H new ATOM 0 HE2 LYS B 32 31.785 -8.619 26.555 1.00 0.00 H new ATOM 0 HE3 LYS B 32 30.214 -8.311 25.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 32.010 -8.986 24.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 31.209 -7.545 23.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 32.759 -7.489 24.532 1.00 0.00 H new TER 894 LYS B 32