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 -165:sc= -0.199 (180deg=-0.563) USER MOD Single : A 20 THR OG1 : rot -12:sc= -4.77! USER MOD Single : A 21 MET CE :methyl -169:sc= 0 (180deg=-0.0151) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -153:sc= -0.221 (180deg=-1.09) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.0285 (180deg=-0.302) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.0219 (180deg=-0.342) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 MET CE :methyl -166:sc= -0.176 (180deg=-0.567) USER MOD Single : B 20 THR OG1 : rot -20:sc= -5.07! USER MOD Single : B 21 MET CE :methyl -170:sc= 0 (180deg=-0.0149) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 MET CE :methyl -152:sc= -0.215 (180deg=-1.14) USER MOD Single : B 30 LYS NZ :NH3+ -163:sc=-0.00866 (180deg=-0.303) USER MOD Single : B 31 LYS NZ :NH3+ -162:sc= -0.034 (180deg=-0.353) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 5 0.641 -2.420 -1.925 1.00 0.00 N ATOM 2 CA LYS A 5 2.114 -2.451 -1.705 1.00 0.00 C ATOM 3 C LYS A 5 2.405 -2.938 -0.289 1.00 0.00 C ATOM 4 O LYS A 5 2.879 -2.178 0.554 1.00 0.00 O ATOM 5 CB LYS A 5 2.688 -1.046 -1.901 1.00 0.00 C ATOM 6 CG LYS A 5 2.546 -0.637 -3.368 1.00 0.00 C ATOM 7 CD LYS A 5 3.111 0.772 -3.562 1.00 0.00 C ATOM 8 CE LYS A 5 2.976 1.180 -5.030 1.00 0.00 C ATOM 9 NZ LYS A 5 3.528 2.551 -5.217 1.00 0.00 N ATOM 0 HA LYS A 5 2.578 -3.130 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.164 -0.335 -1.262 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.737 -1.026 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.076 -1.344 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.497 -0.664 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.578 1.479 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.158 0.800 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.508 0.472 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.929 1.154 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.436 2.829 -6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.002 3.221 -4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.532 2.561 -4.946 1.00 0.00 H new ATOM 22 N GLY A 6 2.119 -4.211 -0.038 1.00 0.00 N ATOM 23 CA GLY A 6 2.354 -4.793 1.279 1.00 0.00 C ATOM 24 C GLY A 6 3.835 -4.750 1.633 1.00 0.00 C ATOM 25 O GLY A 6 4.194 -4.579 2.794 1.00 0.00 O ATOM 0 H GLY A 6 1.727 -4.856 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.780 -4.249 2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.002 -5.824 1.294 1.00 0.00 H new ATOM 29 N ALA A 7 4.690 -4.900 0.629 1.00 0.00 N ATOM 30 CA ALA A 7 6.131 -4.878 0.856 1.00 0.00 C ATOM 31 C ALA A 7 6.512 -3.721 1.776 1.00 0.00 C ATOM 32 O ALA A 7 7.582 -3.725 2.384 1.00 0.00 O ATOM 33 CB ALA A 7 6.866 -4.734 -0.476 1.00 0.00 C ATOM 0 H ALA A 7 4.414 -5.037 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 7 6.419 -5.816 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.941 -4.718 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.617 -5.576 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.565 -3.805 -0.959 1.00 0.00 H new ATOM 39 N ILE A 8 5.626 -2.735 1.879 1.00 0.00 N ATOM 40 CA ILE A 8 5.875 -1.580 2.735 1.00 0.00 C ATOM 41 C ILE A 8 5.951 -2.007 4.198 1.00 0.00 C ATOM 42 O ILE A 8 6.809 -1.541 4.948 1.00 0.00 O ATOM 43 CB ILE A 8 4.759 -0.545 2.559 1.00 0.00 C ATOM 44 CG1 ILE A 8 4.839 0.043 1.148 1.00 0.00 C ATOM 45 CG2 ILE A 8 4.925 0.577 3.589 1.00 0.00 C ATOM 46 CD1 ILE A 8 3.580 0.865 0.864 1.00 0.00 C ATOM 0 H ILE A 8 4.735 -2.712 1.384 1.00 0.00 H new ATOM 0 HA ILE A 8 6.828 -1.136 2.446 1.00 0.00 H new ATOM 0 HB ILE A 8 3.791 -1.025 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.725 0.671 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.937 -0.757 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.129 1.310 3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.873 0.159 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.891 1.061 3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.638 1.283 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.702 0.224 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.502 1.674 1.590 1.00 0.00 H new ATOM 58 N ILE A 9 5.037 -2.885 4.598 1.00 0.00 N ATOM 59 CA ILE A 9 4.999 -3.354 5.978 1.00 0.00 C ATOM 60 C ILE A 9 6.329 -4.013 6.343 1.00 0.00 C ATOM 61 O ILE A 9 6.811 -3.888 7.464 1.00 0.00 O ATOM 62 CB ILE A 9 3.834 -4.350 6.169 1.00 0.00 C ATOM 63 CG1 ILE A 9 3.451 -4.442 7.665 1.00 0.00 C ATOM 64 CG2 ILE A 9 4.246 -5.743 5.667 1.00 0.00 C ATOM 65 CD1 ILE A 9 2.434 -3.350 8.023 1.00 0.00 C ATOM 0 H ILE A 9 4.319 -3.283 3.993 1.00 0.00 H new ATOM 0 HA ILE A 9 4.839 -2.502 6.638 1.00 0.00 H new ATOM 0 HB ILE A 9 2.977 -3.995 5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.031 -5.424 7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.343 -4.335 8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.419 -6.439 5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.500 -5.688 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.112 -6.092 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.174 -3.427 9.079 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.869 -2.370 7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.536 -3.476 7.418 1.00 0.00 H new ATOM 77 N GLY A 10 6.906 -4.732 5.392 1.00 0.00 N ATOM 78 CA GLY A 10 8.165 -5.415 5.644 1.00 0.00 C ATOM 79 C GLY A 10 9.191 -4.449 6.222 1.00 0.00 C ATOM 80 O GLY A 10 9.904 -4.786 7.167 1.00 0.00 O ATOM 0 H GLY A 10 6.529 -4.857 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.005 -6.241 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.544 -5.845 4.717 1.00 0.00 H new ATOM 84 N LEU A 11 9.258 -3.245 5.665 1.00 0.00 N ATOM 85 CA LEU A 11 10.194 -2.247 6.146 1.00 0.00 C ATOM 86 C LEU A 11 9.743 -1.672 7.489 1.00 0.00 C ATOM 87 O LEU A 11 10.568 -1.206 8.274 1.00 0.00 O ATOM 88 CB LEU A 11 10.325 -1.122 5.112 1.00 0.00 C ATOM 89 CG LEU A 11 11.313 -0.059 5.610 1.00 0.00 C ATOM 90 CD1 LEU A 11 12.698 -0.683 5.866 1.00 0.00 C ATOM 91 CD2 LEU A 11 11.428 1.051 4.560 1.00 0.00 C ATOM 0 H LEU A 11 8.677 -2.941 4.884 1.00 0.00 H new ATOM 0 HA LEU A 11 11.163 -2.725 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.667 -1.530 4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.351 -0.668 4.932 1.00 0.00 H new ATOM 0 HG LEU A 11 10.946 0.356 6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.384 0.087 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.611 -1.465 6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.080 -1.113 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.129 1.810 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.787 0.628 3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.450 1.506 4.402 1.00 0.00 H new ATOM 103 N MET A 12 8.436 -1.688 7.748 1.00 0.00 N ATOM 104 CA MET A 12 7.911 -1.155 8.984 1.00 0.00 C ATOM 105 C MET A 12 8.571 -1.816 10.181 1.00 0.00 C ATOM 106 O MET A 12 9.202 -1.149 11.001 1.00 0.00 O ATOM 107 CB MET A 12 6.406 -1.415 9.016 1.00 0.00 C ATOM 108 CG MET A 12 5.730 -0.629 10.144 1.00 0.00 C ATOM 109 SD MET A 12 5.546 -1.676 11.616 1.00 0.00 S ATOM 110 CE MET A 12 6.152 -0.496 12.853 1.00 0.00 C ATOM 0 H MET A 12 7.731 -2.065 7.115 1.00 0.00 H new ATOM 0 HA MET A 12 8.116 -0.086 9.035 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.966 -1.134 8.059 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.222 -2.481 9.151 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.322 0.253 10.388 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.752 -0.276 9.816 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.371 -1.023 13.782 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.059 -0.017 12.485 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.390 0.262 13.037 1.00 0.00 H new ATOM 120 N VAL A 13 8.420 -3.128 10.282 1.00 0.00 N ATOM 121 CA VAL A 13 9.004 -3.855 11.392 1.00 0.00 C ATOM 122 C VAL A 13 10.498 -3.583 11.464 1.00 0.00 C ATOM 123 O VAL A 13 11.109 -3.733 12.518 1.00 0.00 O ATOM 124 CB VAL A 13 8.751 -5.353 11.236 1.00 0.00 C ATOM 125 CG1 VAL A 13 7.250 -5.628 11.353 1.00 0.00 C ATOM 126 CG2 VAL A 13 9.249 -5.815 9.864 1.00 0.00 C ATOM 0 H VAL A 13 7.904 -3.703 9.616 1.00 0.00 H new ATOM 0 HA VAL A 13 8.537 -3.516 12.317 1.00 0.00 H new ATOM 0 HB VAL A 13 9.284 -5.896 12.017 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.066 -6.697 11.242 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.895 -5.298 12.329 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.719 -5.085 10.571 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.069 -6.884 9.753 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.716 -5.274 9.082 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.317 -5.617 9.779 1.00 0.00 H new ATOM 136 N GLY A 14 11.095 -3.193 10.344 1.00 0.00 N ATOM 137 CA GLY A 14 12.520 -2.908 10.324 1.00 0.00 C ATOM 138 C GLY A 14 12.826 -1.556 10.968 1.00 0.00 C ATOM 139 O GLY A 14 13.818 -1.421 11.686 1.00 0.00 O ATOM 0 H GLY A 14 10.620 -3.069 9.450 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.058 -3.695 10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.879 -2.913 9.295 1.00 0.00 H new ATOM 143 N GLY A 15 11.990 -0.549 10.702 1.00 0.00 N ATOM 144 CA GLY A 15 12.221 0.778 11.260 1.00 0.00 C ATOM 145 C GLY A 15 12.265 0.740 12.782 1.00 0.00 C ATOM 146 O GLY A 15 13.125 1.369 13.401 1.00 0.00 O ATOM 0 H GLY A 15 11.161 -0.628 10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.160 1.177 10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.431 1.454 10.934 1.00 0.00 H new ATOM 150 N VAL A 16 11.339 0.009 13.382 1.00 0.00 N ATOM 151 CA VAL A 16 11.291 -0.086 14.836 1.00 0.00 C ATOM 152 C VAL A 16 12.569 -0.710 15.374 1.00 0.00 C ATOM 153 O VAL A 16 12.930 -0.481 16.524 1.00 0.00 O ATOM 154 CB VAL A 16 10.082 -0.915 15.277 1.00 0.00 C ATOM 155 CG1 VAL A 16 8.789 -0.119 15.058 1.00 0.00 C ATOM 156 CG2 VAL A 16 10.032 -2.206 14.464 1.00 0.00 C ATOM 0 H VAL A 16 10.618 -0.522 12.894 1.00 0.00 H new ATOM 0 HA VAL A 16 11.196 0.922 15.240 1.00 0.00 H new ATOM 0 HB VAL A 16 10.176 -1.151 16.337 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.935 -0.718 15.375 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.824 0.800 15.642 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.688 0.127 14.001 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.172 -2.799 14.775 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.943 -1.966 13.405 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.946 -2.777 14.631 1.00 0.00 H new ATOM 166 N VAL A 17 13.247 -1.488 14.533 1.00 0.00 N ATOM 167 CA VAL A 17 14.506 -2.134 14.912 1.00 0.00 C ATOM 168 C VAL A 17 15.702 -1.205 14.678 1.00 0.00 C ATOM 169 O VAL A 17 16.640 -1.169 15.469 1.00 0.00 O ATOM 170 CB VAL A 17 14.705 -3.413 14.100 1.00 0.00 C ATOM 171 CG1 VAL A 17 16.124 -3.949 14.334 1.00 0.00 C ATOM 172 CG2 VAL A 17 13.686 -4.473 14.533 1.00 0.00 C ATOM 0 H VAL A 17 12.945 -1.688 13.579 1.00 0.00 H new ATOM 0 HA VAL A 17 14.448 -2.371 15.974 1.00 0.00 H new ATOM 0 HB VAL A 17 14.563 -3.190 13.043 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.268 -4.862 13.756 1.00 0.00 H new ATOM 0 HG12 VAL A 17 16.852 -3.201 14.019 1.00 0.00 H new ATOM 0 HG13 VAL A 17 16.261 -4.165 15.393 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.835 -5.381 13.949 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.820 -4.696 15.591 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.677 -4.097 14.367 1.00 0.00 H new ATOM 182 N ILE A 18 15.660 -0.481 13.570 1.00 0.00 N ATOM 183 CA ILE A 18 16.752 0.427 13.231 1.00 0.00 C ATOM 184 C ILE A 18 16.808 1.589 14.213 1.00 0.00 C ATOM 185 O ILE A 18 17.859 1.896 14.776 1.00 0.00 O ATOM 186 CB ILE A 18 16.575 0.966 11.813 1.00 0.00 C ATOM 187 CG1 ILE A 18 16.704 -0.188 10.821 1.00 0.00 C ATOM 188 CG2 ILE A 18 17.660 2.010 11.524 1.00 0.00 C ATOM 189 CD1 ILE A 18 16.237 0.276 9.442 1.00 0.00 C ATOM 0 H ILE A 18 14.894 -0.501 12.897 1.00 0.00 H new ATOM 0 HA ILE A 18 17.686 -0.131 13.289 1.00 0.00 H new ATOM 0 HB ILE A 18 15.593 1.429 11.715 1.00 0.00 H new ATOM 0 HG12 ILE A 18 17.739 -0.527 10.772 1.00 0.00 H new ATOM 0 HG13 ILE A 18 16.106 -1.037 11.153 1.00 0.00 H new ATOM 0 HG21 ILE A 18 17.534 2.395 10.512 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.575 2.830 12.237 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.643 1.548 11.617 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.328 -0.546 8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.196 0.594 9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.854 1.112 9.111 1.00 0.00 H new ATOM 201 N ALA A 19 15.672 2.250 14.385 1.00 0.00 N ATOM 202 CA ALA A 19 15.604 3.407 15.272 1.00 0.00 C ATOM 203 C ALA A 19 16.107 3.051 16.663 1.00 0.00 C ATOM 204 O ALA A 19 16.890 3.786 17.261 1.00 0.00 O ATOM 205 CB ALA A 19 14.163 3.913 15.370 1.00 0.00 C ATOM 0 H ALA A 19 14.792 2.010 13.928 1.00 0.00 H new ATOM 0 HA ALA A 19 16.238 4.189 14.855 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.125 4.776 16.034 1.00 0.00 H new ATOM 0 HB2 ALA A 19 13.811 4.201 14.380 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.526 3.122 15.766 1.00 0.00 H new ATOM 211 N THR A 20 15.641 1.923 17.170 1.00 0.00 N ATOM 212 CA THR A 20 16.035 1.481 18.500 1.00 0.00 C ATOM 213 C THR A 20 17.492 1.071 18.539 1.00 0.00 C ATOM 214 O THR A 20 18.063 0.952 19.610 1.00 0.00 O ATOM 215 CB THR A 20 15.169 0.327 18.979 1.00 0.00 C ATOM 216 OG1 THR A 20 15.672 -0.152 20.215 1.00 0.00 O ATOM 217 CG2 THR A 20 15.193 -0.796 17.952 1.00 0.00 C ATOM 0 H THR A 20 14.994 1.299 16.687 1.00 0.00 H new ATOM 0 HA THR A 20 15.892 2.330 19.169 1.00 0.00 H new ATOM 0 HB THR A 20 14.143 0.672 19.108 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.555 0.239 20.382 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.571 -1.621 18.300 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.808 -0.428 17.001 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.217 -1.145 17.819 1.00 0.00 H new ATOM 225 N MET A 21 18.074 0.821 17.370 1.00 0.00 N ATOM 226 CA MET A 21 19.469 0.397 17.276 1.00 0.00 C ATOM 227 C MET A 21 20.416 1.595 17.276 1.00 0.00 C ATOM 228 O MET A 21 21.557 1.485 17.720 1.00 0.00 O ATOM 229 CB MET A 21 19.655 -0.423 15.973 1.00 0.00 C ATOM 230 CG MET A 21 19.834 -1.912 16.287 1.00 0.00 C ATOM 231 SD MET A 21 18.349 -2.539 17.118 1.00 0.00 S ATOM 232 CE MET A 21 19.134 -3.119 18.646 1.00 0.00 C ATOM 0 H MET A 21 17.600 0.905 16.471 1.00 0.00 H new ATOM 0 HA MET A 21 19.710 -0.215 18.145 1.00 0.00 H new ATOM 0 HB2 MET A 21 18.790 -0.285 15.325 1.00 0.00 H new ATOM 0 HB3 MET A 21 20.524 -0.055 15.427 1.00 0.00 H new ATOM 0 HG2 MET A 21 20.012 -2.470 15.367 1.00 0.00 H new ATOM 0 HG3 MET A 21 20.708 -2.058 16.922 1.00 0.00 H new ATOM 0 HE1 MET A 21 18.423 -3.717 19.216 1.00 0.00 H new ATOM 0 HE2 MET A 21 20.005 -3.727 18.400 1.00 0.00 H new ATOM 0 HE3 MET A 21 19.447 -2.262 19.242 1.00 0.00 H new ATOM 242 N ILE A 22 19.952 2.734 16.775 1.00 0.00 N ATOM 243 CA ILE A 22 20.791 3.927 16.725 1.00 0.00 C ATOM 244 C ILE A 22 20.716 4.709 18.030 1.00 0.00 C ATOM 245 O ILE A 22 21.714 5.257 18.496 1.00 0.00 O ATOM 246 CB ILE A 22 20.345 4.821 15.569 1.00 0.00 C ATOM 247 CG1 ILE A 22 20.584 4.090 14.244 1.00 0.00 C ATOM 248 CG2 ILE A 22 21.151 6.124 15.597 1.00 0.00 C ATOM 249 CD1 ILE A 22 19.881 4.840 13.112 1.00 0.00 C ATOM 0 H ILE A 22 19.011 2.857 16.402 1.00 0.00 H new ATOM 0 HA ILE A 22 21.823 3.610 16.574 1.00 0.00 H new ATOM 0 HB ILE A 22 19.284 5.052 15.667 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.653 4.023 14.041 1.00 0.00 H new ATOM 0 HG13 ILE A 22 20.207 3.069 14.307 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.836 6.765 14.773 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.979 6.638 16.543 1.00 0.00 H new ATOM 0 HG23 ILE A 22 22.212 5.898 15.495 1.00 0.00 H new ATOM 0 HD11 ILE A 22 20.052 4.319 12.170 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.811 4.884 13.314 1.00 0.00 H new ATOM 0 HD13 ILE A 22 20.279 5.853 13.044 1.00 0.00 H new ATOM 261 N VAL A 23 19.520 4.781 18.603 1.00 0.00 N ATOM 262 CA VAL A 23 19.324 5.526 19.840 1.00 0.00 C ATOM 263 C VAL A 23 20.261 5.002 20.921 1.00 0.00 C ATOM 264 O VAL A 23 20.820 5.770 21.695 1.00 0.00 O ATOM 265 CB VAL A 23 17.874 5.395 20.300 1.00 0.00 C ATOM 266 CG1 VAL A 23 16.899 5.801 19.156 1.00 0.00 C ATOM 267 CG2 VAL A 23 17.621 3.946 20.720 1.00 0.00 C ATOM 0 H VAL A 23 18.679 4.337 18.235 1.00 0.00 H new ATOM 0 HA VAL A 23 19.548 6.577 19.659 1.00 0.00 H new ATOM 0 HB VAL A 23 17.699 6.061 21.145 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.870 5.701 19.502 1.00 0.00 H new ATOM 0 HG12 VAL A 23 17.086 6.835 18.868 1.00 0.00 H new ATOM 0 HG13 VAL A 23 17.057 5.151 18.296 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.588 3.838 21.051 1.00 0.00 H new ATOM 0 HG22 VAL A 23 17.801 3.285 19.872 1.00 0.00 H new ATOM 0 HG23 VAL A 23 18.293 3.681 21.536 1.00 0.00 H new ATOM 277 N ILE A 24 20.438 3.686 20.960 1.00 0.00 N ATOM 278 CA ILE A 24 21.341 3.089 21.959 1.00 0.00 C ATOM 279 C ILE A 24 22.591 3.963 22.090 1.00 0.00 C ATOM 280 O ILE A 24 22.982 4.351 23.190 1.00 0.00 O ATOM 281 CB ILE A 24 21.757 1.686 21.523 1.00 0.00 C ATOM 282 CG1 ILE A 24 20.507 0.879 21.198 1.00 0.00 C ATOM 283 CG2 ILE A 24 22.558 0.998 22.629 1.00 0.00 C ATOM 284 CD1 ILE A 24 19.532 0.871 22.390 1.00 0.00 C ATOM 0 H ILE A 24 19.986 3.020 20.333 1.00 0.00 H new ATOM 0 HA ILE A 24 20.822 3.026 22.916 1.00 0.00 H new ATOM 0 HB ILE A 24 22.390 1.754 20.638 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.014 1.302 20.323 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.786 -0.144 20.944 1.00 0.00 H new ATOM 0 HG21 ILE A 24 22.847 -0.001 22.302 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.453 1.581 22.847 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.946 0.923 23.528 1.00 0.00 H new ATOM 0 HD11 ILE A 24 18.648 0.288 22.133 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.021 0.426 23.257 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.237 1.894 22.626 1.00 0.00 H new ATOM 296 N THR A 25 23.187 4.292 20.949 1.00 0.00 N ATOM 297 CA THR A 25 24.374 5.155 20.933 1.00 0.00 C ATOM 298 C THR A 25 24.039 6.515 21.545 1.00 0.00 C ATOM 299 O THR A 25 24.834 7.090 22.286 1.00 0.00 O ATOM 300 CB THR A 25 24.887 5.342 19.492 1.00 0.00 C ATOM 301 OG1 THR A 25 25.588 4.176 19.092 1.00 0.00 O ATOM 302 CG2 THR A 25 25.822 6.558 19.402 1.00 0.00 C ATOM 0 H THR A 25 22.876 3.980 20.029 1.00 0.00 H new ATOM 0 HA THR A 25 25.157 4.678 21.523 1.00 0.00 H new ATOM 0 HB THR A 25 24.035 5.511 18.834 1.00 0.00 H new ATOM 0 HG1 THR A 25 25.915 4.289 18.175 1.00 0.00 H new ATOM 0 HG21 THR A 25 26.173 6.672 18.376 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.282 7.456 19.703 1.00 0.00 H new ATOM 0 HG23 THR A 25 26.676 6.410 20.063 1.00 0.00 H new ATOM 310 N LEU A 26 22.862 7.023 21.210 1.00 0.00 N ATOM 311 CA LEU A 26 22.450 8.324 21.720 1.00 0.00 C ATOM 312 C LEU A 26 22.403 8.292 23.246 1.00 0.00 C ATOM 313 O LEU A 26 22.937 9.175 23.911 1.00 0.00 O ATOM 314 CB LEU A 26 21.082 8.712 21.134 1.00 0.00 C ATOM 315 CG LEU A 26 20.558 10.040 21.729 1.00 0.00 C ATOM 316 CD1 LEU A 26 20.040 9.847 23.176 1.00 0.00 C ATOM 317 CD2 LEU A 26 21.671 11.107 21.689 1.00 0.00 C ATOM 0 H LEU A 26 22.186 6.565 20.599 1.00 0.00 H new ATOM 0 HA LEU A 26 23.176 9.078 21.415 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.164 8.806 20.051 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.363 7.917 21.331 1.00 0.00 H new ATOM 0 HG LEU A 26 19.717 10.377 21.123 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.679 10.800 23.563 1.00 0.00 H new ATOM 0 HD12 LEU A 26 19.225 9.123 23.177 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.850 9.482 23.807 1.00 0.00 H new ATOM 0 HD21 LEU A 26 21.296 12.040 22.109 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.525 10.764 22.272 1.00 0.00 H new ATOM 0 HD23 LEU A 26 21.980 11.272 20.657 1.00 0.00 H new ATOM 329 N VAL A 27 21.768 7.274 23.794 1.00 0.00 N ATOM 330 CA VAL A 27 21.672 7.151 25.244 1.00 0.00 C ATOM 331 C VAL A 27 23.068 7.008 25.850 1.00 0.00 C ATOM 332 O VAL A 27 23.394 7.630 26.862 1.00 0.00 O ATOM 333 CB VAL A 27 20.809 5.948 25.611 1.00 0.00 C ATOM 334 CG1 VAL A 27 20.782 5.788 27.133 1.00 0.00 C ATOM 335 CG2 VAL A 27 19.389 6.176 25.092 1.00 0.00 C ATOM 0 H VAL A 27 21.315 6.526 23.269 1.00 0.00 H new ATOM 0 HA VAL A 27 21.206 8.050 25.647 1.00 0.00 H new ATOM 0 HB VAL A 27 21.222 5.045 25.162 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.166 4.929 27.398 1.00 0.00 H new ATOM 0 HG12 VAL A 27 21.796 5.634 27.501 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.365 6.687 27.586 1.00 0.00 H new ATOM 0 HG21 VAL A 27 18.765 5.320 25.350 1.00 0.00 H new ATOM 0 HG22 VAL A 27 18.976 7.076 25.546 1.00 0.00 H new ATOM 0 HG23 VAL A 27 19.412 6.294 24.009 1.00 0.00 H new ATOM 345 N MET A 28 23.885 6.193 25.200 1.00 0.00 N ATOM 346 CA MET A 28 25.260 5.960 25.638 1.00 0.00 C ATOM 347 C MET A 28 26.079 7.250 25.563 1.00 0.00 C ATOM 348 O MET A 28 27.123 7.371 26.204 1.00 0.00 O ATOM 349 CB MET A 28 25.919 4.885 24.775 1.00 0.00 C ATOM 350 CG MET A 28 25.312 3.514 25.092 1.00 0.00 C ATOM 351 SD MET A 28 25.763 3.016 26.778 1.00 0.00 S ATOM 352 CE MET A 28 27.534 2.745 26.496 1.00 0.00 C ATOM 0 H MET A 28 23.620 5.677 24.361 1.00 0.00 H new ATOM 0 HA MET A 28 25.231 5.621 26.674 1.00 0.00 H new ATOM 0 HB2 MET A 28 25.780 5.118 23.719 1.00 0.00 H new ATOM 0 HB3 MET A 28 26.993 4.868 24.959 1.00 0.00 H new ATOM 0 HG2 MET A 28 24.227 3.555 24.993 1.00 0.00 H new ATOM 0 HG3 MET A 28 25.670 2.774 24.376 1.00 0.00 H new ATOM 0 HE1 MET A 28 27.908 2.011 27.209 1.00 0.00 H new ATOM 0 HE2 MET A 28 27.689 2.377 25.482 1.00 0.00 H new ATOM 0 HE3 MET A 28 28.071 3.684 26.627 1.00 0.00 H new ATOM 362 N LEU A 29 25.585 8.216 24.794 1.00 0.00 N ATOM 363 CA LEU A 29 26.264 9.508 24.660 1.00 0.00 C ATOM 364 C LEU A 29 25.814 10.462 25.760 1.00 0.00 C ATOM 365 O LEU A 29 26.641 11.072 26.439 1.00 0.00 O ATOM 366 CB LEU A 29 25.979 10.117 23.280 1.00 0.00 C ATOM 367 CG LEU A 29 26.873 9.452 22.223 1.00 0.00 C ATOM 368 CD1 LEU A 29 26.378 9.845 20.827 1.00 0.00 C ATOM 369 CD2 LEU A 29 28.346 9.888 22.411 1.00 0.00 C ATOM 0 H LEU A 29 24.723 8.133 24.256 1.00 0.00 H new ATOM 0 HA LEU A 29 27.338 9.347 24.758 1.00 0.00 H new ATOM 0 HB2 LEU A 29 24.929 9.978 23.021 1.00 0.00 H new ATOM 0 HB3 LEU A 29 26.163 11.191 23.301 1.00 0.00 H new ATOM 0 HG LEU A 29 26.821 8.369 22.336 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.009 9.376 20.072 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.349 9.511 20.699 1.00 0.00 H new ATOM 0 HD13 LEU A 29 26.424 10.928 20.716 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.967 9.408 21.654 1.00 0.00 H new ATOM 0 HD22 LEU A 29 28.421 10.971 22.309 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.689 9.593 23.403 1.00 0.00 H new ATOM 381 N LYS A 30 24.506 10.588 25.934 1.00 0.00 N ATOM 382 CA LYS A 30 23.976 11.476 26.960 1.00 0.00 C ATOM 383 C LYS A 30 24.548 11.115 28.328 1.00 0.00 C ATOM 384 O LYS A 30 24.289 11.798 29.319 1.00 0.00 O ATOM 385 CB LYS A 30 22.447 11.400 27.007 1.00 0.00 C ATOM 386 CG LYS A 30 21.855 12.175 25.830 1.00 0.00 C ATOM 387 CD LYS A 30 20.330 12.097 25.889 1.00 0.00 C ATOM 388 CE LYS A 30 19.738 12.815 24.678 1.00 0.00 C ATOM 389 NZ LYS A 30 19.997 14.276 24.798 1.00 0.00 N ATOM 0 H LYS A 30 23.801 10.095 25.387 1.00 0.00 H new ATOM 0 HA LYS A 30 24.271 12.494 26.707 1.00 0.00 H new ATOM 0 HB2 LYS A 30 22.124 10.360 26.969 1.00 0.00 H new ATOM 0 HB3 LYS A 30 22.082 11.813 27.947 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.179 13.215 25.865 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.216 11.760 24.889 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.008 11.056 25.901 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.967 12.554 26.810 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.181 12.430 23.760 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.666 12.628 24.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 19.379 14.793 24.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.801 14.584 25.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.992 14.472 24.566 1.00 0.00 H new ATOM 403 N LYS A 31 25.330 10.040 28.374 1.00 0.00 N ATOM 404 CA LYS A 31 25.936 9.600 29.621 1.00 0.00 C ATOM 405 C LYS A 31 27.185 8.772 29.334 1.00 0.00 C ATOM 406 O LYS A 31 27.265 7.603 29.713 1.00 0.00 O ATOM 407 CB LYS A 31 24.932 8.757 30.414 1.00 0.00 C ATOM 408 CG LYS A 31 25.396 8.616 31.876 1.00 0.00 C ATOM 409 CD LYS A 31 24.871 9.789 32.714 1.00 0.00 C ATOM 410 CE LYS A 31 25.405 9.675 34.143 1.00 0.00 C ATOM 411 NZ LYS A 31 24.832 8.460 34.788 1.00 0.00 N ATOM 0 H LYS A 31 25.556 9.462 27.565 1.00 0.00 H new ATOM 0 HA LYS A 31 26.217 10.476 30.206 1.00 0.00 H new ATOM 0 HB2 LYS A 31 23.947 9.223 30.380 1.00 0.00 H new ATOM 0 HB3 LYS A 31 24.834 7.771 29.959 1.00 0.00 H new ATOM 0 HG2 LYS A 31 25.036 7.674 32.290 1.00 0.00 H new ATOM 0 HG3 LYS A 31 26.485 8.588 31.919 1.00 0.00 H new ATOM 0 HD2 LYS A 31 25.184 10.735 32.272 1.00 0.00 H new ATOM 0 HD3 LYS A 31 23.781 9.786 32.720 1.00 0.00 H new ATOM 0 HE2 LYS A 31 26.493 9.616 34.133 1.00 0.00 H new ATOM 0 HE3 LYS A 31 25.139 10.564 34.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 24.950 8.526 35.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.820 8.390 34.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 25.326 7.615 34.436 1.00 0.00 H new ATOM 425 N LYS A 32 28.161 9.385 28.674 1.00 0.00 N ATOM 426 CA LYS A 32 29.404 8.694 28.355 1.00 0.00 C ATOM 427 C LYS A 32 29.935 7.958 29.581 1.00 0.00 C ATOM 428 O LYS A 32 30.121 6.756 29.494 1.00 0.00 O ATOM 429 CB LYS A 32 30.446 9.704 27.875 1.00 0.00 C ATOM 430 CG LYS A 32 29.995 10.303 26.543 1.00 0.00 C ATOM 431 CD LYS A 32 31.016 11.344 26.080 1.00 0.00 C ATOM 432 CE LYS A 32 30.559 11.947 24.750 1.00 0.00 C ATOM 433 NZ LYS A 32 31.541 12.977 24.310 1.00 0.00 N ATOM 0 H LYS A 32 28.117 10.352 28.352 1.00 0.00 H new ATOM 0 HA LYS A 32 29.207 7.968 27.566 1.00 0.00 H new ATOM 0 HB2 LYS A 32 30.573 10.493 28.617 1.00 0.00 H new ATOM 0 HB3 LYS A 32 31.414 9.217 27.758 1.00 0.00 H new ATOM 0 HG2 LYS A 32 29.895 9.517 25.794 1.00 0.00 H new ATOM 0 HG3 LYS A 32 29.014 10.764 26.653 1.00 0.00 H new ATOM 0 HD2 LYS A 32 31.119 12.127 26.831 1.00 0.00 H new ATOM 0 HD3 LYS A 32 31.996 10.882 25.965 1.00 0.00 H new ATOM 0 HE2 LYS A 32 30.472 11.166 23.995 1.00 0.00 H new ATOM 0 HE3 LYS A 32 29.571 12.394 24.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 31.232 13.388 23.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 31.603 13.727 25.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 32.475 12.536 24.188 1.00 0.00 H new TER 447 LYS A 32 ATOM 448 N LYS B 5 -3.708 1.031 0.960 1.00 0.00 N ATOM 449 CA LYS B 5 -3.852 1.362 2.405 1.00 0.00 C ATOM 450 C LYS B 5 -2.647 2.179 2.859 1.00 0.00 C ATOM 451 O LYS B 5 -1.825 1.704 3.643 1.00 0.00 O ATOM 452 CB LYS B 5 -3.943 0.069 3.216 1.00 0.00 C ATOM 453 CG LYS B 5 -5.245 -0.660 2.874 1.00 0.00 C ATOM 454 CD LYS B 5 -5.327 -1.961 3.675 1.00 0.00 C ATOM 455 CE LYS B 5 -6.634 -2.684 3.341 1.00 0.00 C ATOM 456 NZ LYS B 5 -6.712 -3.952 4.121 1.00 0.00 N ATOM 0 HA LYS B 5 -4.759 1.946 2.561 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -3.088 -0.571 2.997 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.909 0.293 4.282 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -6.101 -0.025 3.103 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -5.284 -0.875 1.806 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -4.475 -2.600 3.440 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -5.280 -1.747 4.743 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -7.486 -2.046 3.577 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -6.682 -2.898 2.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -7.600 -4.444 3.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -5.906 -4.561 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.685 -3.736 5.138 1.00 0.00 H new ATOM 469 N GLY B 6 -2.552 3.408 2.365 1.00 0.00 N ATOM 470 CA GLY B 6 -1.445 4.284 2.727 1.00 0.00 C ATOM 471 C GLY B 6 -1.446 4.567 4.224 1.00 0.00 C ATOM 472 O GLY B 6 -0.390 4.710 4.833 1.00 0.00 O ATOM 0 H GLY B 6 -3.224 3.818 1.717 1.00 0.00 H new ATOM 0 HA2 GLY B 6 -0.501 3.821 2.440 1.00 0.00 H new ATOM 0 HA3 GLY B 6 -1.521 5.221 2.175 1.00 0.00 H new ATOM 476 N ALA B 7 -2.634 4.644 4.812 1.00 0.00 N ATOM 477 CA ALA B 7 -2.749 4.914 6.242 1.00 0.00 C ATOM 478 C ALA B 7 -1.762 4.058 7.033 1.00 0.00 C ATOM 479 O ALA B 7 -1.430 4.374 8.175 1.00 0.00 O ATOM 480 CB ALA B 7 -4.173 4.617 6.713 1.00 0.00 C ATOM 0 H ALA B 7 -3.524 4.525 4.328 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.518 5.965 6.414 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -4.253 4.820 7.781 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -4.875 5.249 6.170 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -4.407 3.569 6.525 1.00 0.00 H new ATOM 486 N ILE B 8 -1.292 2.980 6.415 1.00 0.00 N ATOM 487 CA ILE B 8 -0.337 2.090 7.066 1.00 0.00 C ATOM 488 C ILE B 8 0.975 2.823 7.337 1.00 0.00 C ATOM 489 O ILE B 8 1.570 2.677 8.404 1.00 0.00 O ATOM 490 CB ILE B 8 -0.070 0.869 6.181 1.00 0.00 C ATOM 491 CG1 ILE B 8 -1.339 0.018 6.104 1.00 0.00 C ATOM 492 CG2 ILE B 8 1.066 0.032 6.781 1.00 0.00 C ATOM 493 CD1 ILE B 8 -1.179 -1.042 5.013 1.00 0.00 C ATOM 0 H ILE B 8 -1.555 2.702 5.469 1.00 0.00 H new ATOM 0 HA ILE B 8 -0.761 1.762 8.015 1.00 0.00 H new ATOM 0 HB ILE B 8 0.216 1.200 5.183 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -1.527 -0.460 7.065 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -2.200 0.650 5.888 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.252 -0.836 6.148 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.970 0.637 6.843 1.00 0.00 H new ATOM 0 HG23 ILE B 8 0.784 -0.302 7.780 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -2.084 -1.648 4.959 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.011 -0.554 4.053 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.328 -1.681 5.249 1.00 0.00 H new ATOM 505 N ILE B 9 1.424 3.597 6.354 1.00 0.00 N ATOM 506 CA ILE B 9 2.676 4.332 6.490 1.00 0.00 C ATOM 507 C ILE B 9 2.604 5.269 7.696 1.00 0.00 C ATOM 508 O ILE B 9 3.586 5.466 8.405 1.00 0.00 O ATOM 509 CB ILE B 9 2.963 5.136 5.203 1.00 0.00 C ATOM 510 CG1 ILE B 9 4.470 5.473 5.110 1.00 0.00 C ATOM 511 CG2 ILE B 9 2.154 6.442 5.206 1.00 0.00 C ATOM 512 CD1 ILE B 9 5.234 4.326 4.436 1.00 0.00 C ATOM 0 H ILE B 9 0.945 3.731 5.463 1.00 0.00 H new ATOM 0 HA ILE B 9 3.488 3.622 6.645 1.00 0.00 H new ATOM 0 HB ILE B 9 2.673 4.530 4.345 1.00 0.00 H new ATOM 0 HG12 ILE B 9 4.609 6.394 4.543 1.00 0.00 H new ATOM 0 HG13 ILE B 9 4.872 5.649 6.108 1.00 0.00 H new ATOM 0 HG21 ILE B 9 2.363 7.002 4.294 1.00 0.00 H new ATOM 0 HG22 ILE B 9 1.090 6.211 5.254 1.00 0.00 H new ATOM 0 HG23 ILE B 9 2.434 7.041 6.072 1.00 0.00 H new ATOM 0 HD11 ILE B 9 6.293 4.579 4.378 1.00 0.00 H new ATOM 0 HD12 ILE B 9 5.110 3.414 5.020 1.00 0.00 H new ATOM 0 HD13 ILE B 9 4.843 4.170 3.431 1.00 0.00 H new ATOM 524 N GLY B 10 1.438 5.857 7.911 1.00 0.00 N ATOM 525 CA GLY B 10 1.270 6.781 9.022 1.00 0.00 C ATOM 526 C GLY B 10 1.747 6.145 10.320 1.00 0.00 C ATOM 527 O GLY B 10 2.426 6.789 11.119 1.00 0.00 O ATOM 0 H GLY B 10 0.605 5.714 7.340 1.00 0.00 H new ATOM 0 HA2 GLY B 10 1.831 7.696 8.830 1.00 0.00 H new ATOM 0 HA3 GLY B 10 0.221 7.064 9.112 1.00 0.00 H new ATOM 531 N LEU B 11 1.400 4.880 10.528 1.00 0.00 N ATOM 532 CA LEU B 11 1.811 4.178 11.730 1.00 0.00 C ATOM 533 C LEU B 11 3.298 3.830 11.683 1.00 0.00 C ATOM 534 O LEU B 11 3.937 3.690 12.725 1.00 0.00 O ATOM 535 CB LEU B 11 0.979 2.900 11.890 1.00 0.00 C ATOM 536 CG LEU B 11 1.401 2.149 13.160 1.00 0.00 C ATOM 537 CD1 LEU B 11 1.210 3.039 14.403 1.00 0.00 C ATOM 538 CD2 LEU B 11 0.558 0.877 13.295 1.00 0.00 C ATOM 0 H LEU B 11 0.838 4.325 9.882 1.00 0.00 H new ATOM 0 HA LEU B 11 1.644 4.833 12.585 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.080 3.151 11.942 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.112 2.259 11.018 1.00 0.00 H new ATOM 0 HG LEU B 11 2.456 1.886 13.085 1.00 0.00 H new ATOM 0 HD11 LEU B 11 1.514 2.490 15.294 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.820 3.937 14.305 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.161 3.321 14.491 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.853 0.339 14.196 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.497 1.145 13.361 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.717 0.241 12.424 1.00 0.00 H new ATOM 550 N MET B 12 3.849 3.678 10.479 1.00 0.00 N ATOM 551 CA MET B 12 5.244 3.335 10.331 1.00 0.00 C ATOM 552 C MET B 12 6.125 4.335 11.061 1.00 0.00 C ATOM 553 O MET B 12 6.874 3.971 11.967 1.00 0.00 O ATOM 554 CB MET B 12 5.583 3.340 8.843 1.00 0.00 C ATOM 555 CG MET B 12 6.956 2.712 8.583 1.00 0.00 C ATOM 556 SD MET B 12 8.228 4.003 8.491 1.00 0.00 S ATOM 557 CE MET B 12 9.474 3.214 9.548 1.00 0.00 C ATOM 0 H MET B 12 3.344 3.789 9.600 1.00 0.00 H new ATOM 0 HA MET B 12 5.424 2.350 10.761 1.00 0.00 H new ATOM 0 HB2 MET B 12 4.819 2.791 8.292 1.00 0.00 H new ATOM 0 HB3 MET B 12 5.572 4.364 8.469 1.00 0.00 H new ATOM 0 HG2 MET B 12 7.199 2.008 9.379 1.00 0.00 H new ATOM 0 HG3 MET B 12 6.935 2.145 7.652 1.00 0.00 H new ATOM 0 HE1 MET B 12 10.233 3.946 9.825 1.00 0.00 H new ATOM 0 HE2 MET B 12 8.996 2.829 10.449 1.00 0.00 H new ATOM 0 HE3 MET B 12 9.943 2.392 9.007 1.00 0.00 H new ATOM 567 N VAL B 13 6.037 5.594 10.661 1.00 0.00 N ATOM 568 CA VAL B 13 6.841 6.625 11.287 1.00 0.00 C ATOM 569 C VAL B 13 6.606 6.631 12.789 1.00 0.00 C ATOM 570 O VAL B 13 7.447 7.100 13.552 1.00 0.00 O ATOM 571 CB VAL B 13 6.500 7.993 10.698 1.00 0.00 C ATOM 572 CG1 VAL B 13 6.915 8.029 9.225 1.00 0.00 C ATOM 573 CG2 VAL B 13 4.993 8.235 10.809 1.00 0.00 C ATOM 0 H VAL B 13 5.424 5.921 9.914 1.00 0.00 H new ATOM 0 HA VAL B 13 7.893 6.413 11.095 1.00 0.00 H new ATOM 0 HB VAL B 13 7.034 8.769 11.246 1.00 0.00 H new ATOM 0 HG11 VAL B 13 6.673 9.004 8.802 1.00 0.00 H new ATOM 0 HG12 VAL B 13 7.988 7.855 9.145 1.00 0.00 H new ATOM 0 HG13 VAL B 13 6.380 7.253 8.677 1.00 0.00 H new ATOM 0 HG21 VAL B 13 4.749 9.211 10.389 1.00 0.00 H new ATOM 0 HG22 VAL B 13 4.459 7.460 10.260 1.00 0.00 H new ATOM 0 HG23 VAL B 13 4.696 8.207 11.857 1.00 0.00 H new ATOM 583 N GLY B 14 5.460 6.119 13.221 1.00 0.00 N ATOM 584 CA GLY B 14 5.155 6.080 14.641 1.00 0.00 C ATOM 585 C GLY B 14 5.928 4.965 15.346 1.00 0.00 C ATOM 586 O GLY B 14 6.407 5.151 16.464 1.00 0.00 O ATOM 0 H GLY B 14 4.737 5.730 12.616 1.00 0.00 H new ATOM 0 HA2 GLY B 14 5.403 7.040 15.095 1.00 0.00 H new ATOM 0 HA3 GLY B 14 4.085 5.928 14.781 1.00 0.00 H new ATOM 590 N GLY B 15 6.036 3.798 14.704 1.00 0.00 N ATOM 591 CA GLY B 15 6.740 2.677 15.314 1.00 0.00 C ATOM 592 C GLY B 15 8.182 3.041 15.650 1.00 0.00 C ATOM 593 O GLY B 15 8.678 2.710 16.727 1.00 0.00 O ATOM 0 H GLY B 15 5.651 3.611 13.778 1.00 0.00 H new ATOM 0 HA2 GLY B 15 6.220 2.369 16.221 1.00 0.00 H new ATOM 0 HA3 GLY B 15 6.727 1.825 14.635 1.00 0.00 H new ATOM 597 N VAL B 16 8.849 3.716 14.728 1.00 0.00 N ATOM 598 CA VAL B 16 10.236 4.105 14.947 1.00 0.00 C ATOM 599 C VAL B 16 10.348 5.035 16.145 1.00 0.00 C ATOM 600 O VAL B 16 11.403 5.119 16.764 1.00 0.00 O ATOM 601 CB VAL B 16 10.803 4.793 13.702 1.00 0.00 C ATOM 602 CG1 VAL B 16 11.031 3.760 12.589 1.00 0.00 C ATOM 603 CG2 VAL B 16 9.818 5.855 13.221 1.00 0.00 C ATOM 0 H VAL B 16 8.460 4.004 13.830 1.00 0.00 H new ATOM 0 HA VAL B 16 10.814 3.202 15.147 1.00 0.00 H new ATOM 0 HB VAL B 16 11.755 5.261 13.951 1.00 0.00 H new ATOM 0 HG11 VAL B 16 11.434 4.258 11.707 1.00 0.00 H new ATOM 0 HG12 VAL B 16 11.737 3.004 12.933 1.00 0.00 H new ATOM 0 HG13 VAL B 16 10.084 3.284 12.335 1.00 0.00 H new ATOM 0 HG21 VAL B 16 10.218 6.347 12.335 1.00 0.00 H new ATOM 0 HG22 VAL B 16 8.866 5.384 12.976 1.00 0.00 H new ATOM 0 HG23 VAL B 16 9.666 6.593 14.008 1.00 0.00 H new ATOM 613 N VAL B 17 9.252 5.720 16.464 1.00 0.00 N ATOM 614 CA VAL B 17 9.212 6.635 17.607 1.00 0.00 C ATOM 615 C VAL B 17 8.863 5.894 18.902 1.00 0.00 C ATOM 616 O VAL B 17 9.408 6.185 19.964 1.00 0.00 O ATOM 617 CB VAL B 17 8.172 7.729 17.367 1.00 0.00 C ATOM 618 CG1 VAL B 17 7.960 8.525 18.662 1.00 0.00 C ATOM 619 CG2 VAL B 17 8.654 8.677 16.261 1.00 0.00 C ATOM 0 H VAL B 17 8.375 5.660 15.946 1.00 0.00 H new ATOM 0 HA VAL B 17 10.203 7.077 17.711 1.00 0.00 H new ATOM 0 HB VAL B 17 7.233 7.268 17.060 1.00 0.00 H new ATOM 0 HG11 VAL B 17 7.218 9.306 18.492 1.00 0.00 H new ATOM 0 HG12 VAL B 17 7.609 7.856 19.447 1.00 0.00 H new ATOM 0 HG13 VAL B 17 8.902 8.980 18.968 1.00 0.00 H new ATOM 0 HG21 VAL B 17 7.907 9.454 16.096 1.00 0.00 H new ATOM 0 HG22 VAL B 17 9.596 9.137 16.561 1.00 0.00 H new ATOM 0 HG23 VAL B 17 8.802 8.115 15.339 1.00 0.00 H new ATOM 629 N ILE B 18 7.934 4.957 18.798 1.00 0.00 N ATOM 630 CA ILE B 18 7.507 4.197 19.969 1.00 0.00 C ATOM 631 C ILE B 18 8.631 3.295 20.461 1.00 0.00 C ATOM 632 O ILE B 18 8.975 3.295 21.643 1.00 0.00 O ATOM 633 CB ILE B 18 6.281 3.351 19.637 1.00 0.00 C ATOM 634 CG1 ILE B 18 5.106 4.275 19.321 1.00 0.00 C ATOM 635 CG2 ILE B 18 5.927 2.468 20.839 1.00 0.00 C ATOM 636 CD1 ILE B 18 3.972 3.459 18.703 1.00 0.00 C ATOM 0 H ILE B 18 7.465 4.704 17.928 1.00 0.00 H new ATOM 0 HA ILE B 18 7.250 4.905 20.757 1.00 0.00 H new ATOM 0 HB ILE B 18 6.494 2.719 18.775 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.761 4.767 20.230 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.421 5.060 18.633 1.00 0.00 H new ATOM 0 HG21 ILE B 18 5.051 1.864 20.601 1.00 0.00 H new ATOM 0 HG22 ILE B 18 6.768 1.813 21.070 1.00 0.00 H new ATOM 0 HG23 ILE B 18 5.710 3.098 21.702 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.132 4.116 18.477 1.00 0.00 H new ATOM 0 HD12 ILE B 18 4.322 2.987 17.785 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.652 2.690 19.406 1.00 0.00 H new ATOM 648 N ALA B 19 9.170 2.502 19.547 1.00 0.00 N ATOM 649 CA ALA B 19 10.229 1.562 19.900 1.00 0.00 C ATOM 650 C ALA B 19 11.384 2.282 20.580 1.00 0.00 C ATOM 651 O ALA B 19 11.898 1.831 21.603 1.00 0.00 O ATOM 652 CB ALA B 19 10.745 0.852 18.645 1.00 0.00 C ATOM 0 H ALA B 19 8.897 2.488 18.564 1.00 0.00 H new ATOM 0 HA ALA B 19 9.813 0.828 20.590 1.00 0.00 H new ATOM 0 HB1 ALA B 19 11.535 0.153 18.921 1.00 0.00 H new ATOM 0 HB2 ALA B 19 9.927 0.307 18.173 1.00 0.00 H new ATOM 0 HB3 ALA B 19 11.141 1.589 17.947 1.00 0.00 H new ATOM 658 N THR B 20 11.790 3.396 19.996 1.00 0.00 N ATOM 659 CA THR B 20 12.898 4.168 20.540 1.00 0.00 C ATOM 660 C THR B 20 12.526 4.816 21.858 1.00 0.00 C ATOM 661 O THR B 20 13.398 5.251 22.590 1.00 0.00 O ATOM 662 CB THR B 20 13.363 5.234 19.563 1.00 0.00 C ATOM 663 OG1 THR B 20 14.348 6.042 20.186 1.00 0.00 O ATOM 664 CG2 THR B 20 12.184 6.102 19.147 1.00 0.00 C ATOM 0 H THR B 20 11.373 3.786 19.150 1.00 0.00 H new ATOM 0 HA THR B 20 13.716 3.468 20.712 1.00 0.00 H new ATOM 0 HB THR B 20 13.785 4.755 18.679 1.00 0.00 H new ATOM 0 HG1 THR B 20 14.273 5.957 21.159 1.00 0.00 H new ATOM 0 HG21 THR B 20 12.523 6.865 18.446 1.00 0.00 H new ATOM 0 HG22 THR B 20 11.426 5.481 18.669 1.00 0.00 H new ATOM 0 HG23 THR B 20 11.757 6.582 20.028 1.00 0.00 H new ATOM 672 N MET B 21 11.228 4.908 22.133 1.00 0.00 N ATOM 673 CA MET B 21 10.742 5.533 23.360 1.00 0.00 C ATOM 674 C MET B 21 10.722 4.537 24.520 1.00 0.00 C ATOM 675 O MET B 21 10.864 4.929 25.677 1.00 0.00 O ATOM 676 CB MET B 21 9.312 6.079 23.110 1.00 0.00 C ATOM 677 CG MET B 21 9.321 7.609 23.030 1.00 0.00 C ATOM 678 SD MET B 21 10.358 8.139 21.641 1.00 0.00 S ATOM 679 CE MET B 21 11.540 9.151 22.570 1.00 0.00 C ATOM 0 H MET B 21 10.492 4.557 21.521 1.00 0.00 H new ATOM 0 HA MET B 21 11.415 6.346 23.631 1.00 0.00 H new ATOM 0 HB2 MET B 21 8.916 5.664 22.183 1.00 0.00 H new ATOM 0 HB3 MET B 21 8.649 5.756 23.913 1.00 0.00 H new ATOM 0 HG2 MET B 21 8.305 7.983 22.902 1.00 0.00 H new ATOM 0 HG3 MET B 21 9.700 8.030 23.961 1.00 0.00 H new ATOM 0 HE1 MET B 21 12.162 9.714 21.875 1.00 0.00 H new ATOM 0 HE2 MET B 21 10.998 9.843 23.215 1.00 0.00 H new ATOM 0 HE3 MET B 21 12.171 8.505 23.180 1.00 0.00 H new ATOM 689 N ILE B 22 10.540 3.256 24.217 1.00 0.00 N ATOM 690 CA ILE B 22 10.496 2.239 25.261 1.00 0.00 C ATOM 691 C ILE B 22 11.895 1.749 25.612 1.00 0.00 C ATOM 692 O ILE B 22 12.201 1.489 26.775 1.00 0.00 O ATOM 693 CB ILE B 22 9.646 1.061 24.795 1.00 0.00 C ATOM 694 CG1 ILE B 22 8.198 1.526 24.608 1.00 0.00 C ATOM 695 CG2 ILE B 22 9.701 -0.052 25.848 1.00 0.00 C ATOM 696 CD1 ILE B 22 7.404 0.446 23.871 1.00 0.00 C ATOM 0 H ILE B 22 10.422 2.900 23.268 1.00 0.00 H new ATOM 0 HA ILE B 22 10.055 2.686 26.152 1.00 0.00 H new ATOM 0 HB ILE B 22 10.029 0.680 23.848 1.00 0.00 H new ATOM 0 HG12 ILE B 22 7.742 1.729 25.577 1.00 0.00 H new ATOM 0 HG13 ILE B 22 8.175 2.458 24.043 1.00 0.00 H new ATOM 0 HG21 ILE B 22 9.094 -0.895 25.518 1.00 0.00 H new ATOM 0 HG22 ILE B 22 10.733 -0.377 25.980 1.00 0.00 H new ATOM 0 HG23 ILE B 22 9.315 0.324 26.795 1.00 0.00 H new ATOM 0 HD11 ILE B 22 6.374 0.778 23.739 1.00 0.00 H new ATOM 0 HD12 ILE B 22 7.855 0.265 22.895 1.00 0.00 H new ATOM 0 HD13 ILE B 22 7.416 -0.475 24.453 1.00 0.00 H new ATOM 708 N VAL B 23 12.735 1.596 24.594 1.00 0.00 N ATOM 709 CA VAL B 23 14.091 1.106 24.807 1.00 0.00 C ATOM 710 C VAL B 23 14.817 1.996 25.808 1.00 0.00 C ATOM 711 O VAL B 23 15.558 1.513 26.656 1.00 0.00 O ATOM 712 CB VAL B 23 14.848 1.085 23.481 1.00 0.00 C ATOM 713 CG1 VAL B 23 14.049 0.290 22.407 1.00 0.00 C ATOM 714 CG2 VAL B 23 15.069 2.525 23.017 1.00 0.00 C ATOM 0 H VAL B 23 12.504 1.802 23.622 1.00 0.00 H new ATOM 0 HA VAL B 23 14.044 0.093 25.206 1.00 0.00 H new ATOM 0 HB VAL B 23 15.809 0.590 23.620 1.00 0.00 H new ATOM 0 HG11 VAL B 23 14.604 0.286 21.469 1.00 0.00 H new ATOM 0 HG12 VAL B 23 13.904 -0.735 22.747 1.00 0.00 H new ATOM 0 HG13 VAL B 23 13.079 0.762 22.252 1.00 0.00 H new ATOM 0 HG21 VAL B 23 15.609 2.523 22.070 1.00 0.00 H new ATOM 0 HG22 VAL B 23 14.105 3.016 22.884 1.00 0.00 H new ATOM 0 HG23 VAL B 23 15.650 3.063 23.765 1.00 0.00 H new ATOM 724 N ILE B 24 14.592 3.301 25.707 1.00 0.00 N ATOM 725 CA ILE B 24 15.237 4.238 26.644 1.00 0.00 C ATOM 726 C ILE B 24 15.217 3.634 28.050 1.00 0.00 C ATOM 727 O ILE B 24 16.244 3.558 28.721 1.00 0.00 O ATOM 728 CB ILE B 24 14.485 5.567 26.661 1.00 0.00 C ATOM 729 CG1 ILE B 24 14.331 6.066 25.229 1.00 0.00 C ATOM 730 CG2 ILE B 24 15.242 6.598 27.500 1.00 0.00 C ATOM 731 CD1 ILE B 24 15.700 6.158 24.529 1.00 0.00 C ATOM 0 H ILE B 24 13.987 3.734 25.009 1.00 0.00 H new ATOM 0 HA ILE B 24 16.264 4.412 26.324 1.00 0.00 H new ATOM 0 HB ILE B 24 13.501 5.421 27.107 1.00 0.00 H new ATOM 0 HG12 ILE B 24 13.678 5.393 24.673 1.00 0.00 H new ATOM 0 HG13 ILE B 24 13.852 7.045 25.230 1.00 0.00 H new ATOM 0 HG21 ILE B 24 14.693 7.540 27.502 1.00 0.00 H new ATOM 0 HG22 ILE B 24 15.341 6.233 28.522 1.00 0.00 H new ATOM 0 HG23 ILE B 24 16.233 6.757 27.074 1.00 0.00 H new ATOM 0 HD11 ILE B 24 15.564 6.516 23.509 1.00 0.00 H new ATOM 0 HD12 ILE B 24 16.342 6.850 25.074 1.00 0.00 H new ATOM 0 HD13 ILE B 24 16.165 5.172 24.508 1.00 0.00 H new ATOM 743 N THR B 25 14.041 3.179 28.466 1.00 0.00 N ATOM 744 CA THR B 25 13.893 2.545 29.781 1.00 0.00 C ATOM 745 C THR B 25 14.785 1.306 29.867 1.00 0.00 C ATOM 746 O THR B 25 15.406 1.043 30.896 1.00 0.00 O ATOM 747 CB THR B 25 12.425 2.149 30.027 1.00 0.00 C ATOM 748 OG1 THR B 25 11.681 3.305 30.375 1.00 0.00 O ATOM 749 CG2 THR B 25 12.323 1.115 31.161 1.00 0.00 C ATOM 0 H THR B 25 13.180 3.234 27.921 1.00 0.00 H new ATOM 0 HA THR B 25 14.196 3.260 30.546 1.00 0.00 H new ATOM 0 HB THR B 25 12.024 1.706 29.115 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.746 3.057 30.531 1.00 0.00 H new ATOM 0 HG21 THR B 25 11.278 0.849 31.318 1.00 0.00 H new ATOM 0 HG22 THR B 25 12.888 0.223 30.891 1.00 0.00 H new ATOM 0 HG23 THR B 25 12.731 1.539 32.078 1.00 0.00 H new ATOM 757 N LEU B 26 14.824 0.548 28.782 1.00 0.00 N ATOM 758 CA LEU B 26 15.627 -0.668 28.761 1.00 0.00 C ATOM 759 C LEU B 26 17.094 -0.325 29.010 1.00 0.00 C ATOM 760 O LEU B 26 17.756 -0.945 29.839 1.00 0.00 O ATOM 761 CB LEU B 26 15.451 -1.395 27.417 1.00 0.00 C ATOM 762 CG LEU B 26 16.366 -2.637 27.313 1.00 0.00 C ATOM 763 CD1 LEU B 26 17.841 -2.234 27.061 1.00 0.00 C ATOM 764 CD2 LEU B 26 16.248 -3.485 28.597 1.00 0.00 C ATOM 0 H LEU B 26 14.319 0.747 27.918 1.00 0.00 H new ATOM 0 HA LEU B 26 15.291 -1.336 29.554 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.411 -1.699 27.302 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.675 -0.709 26.600 1.00 0.00 H new ATOM 0 HG LEU B 26 16.038 -3.232 26.460 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.457 -3.131 26.993 1.00 0.00 H new ATOM 0 HD12 LEU B 26 17.911 -1.674 26.128 1.00 0.00 H new ATOM 0 HD13 LEU B 26 18.194 -1.613 27.884 1.00 0.00 H new ATOM 0 HD21 LEU B 26 16.895 -4.358 28.517 1.00 0.00 H new ATOM 0 HD22 LEU B 26 16.550 -2.887 29.457 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.215 -3.809 28.725 1.00 0.00 H new ATOM 776 N VAL B 27 17.597 0.664 28.295 1.00 0.00 N ATOM 777 CA VAL B 27 18.987 1.071 28.463 1.00 0.00 C ATOM 778 C VAL B 27 19.218 1.573 29.890 1.00 0.00 C ATOM 779 O VAL B 27 20.216 1.240 30.530 1.00 0.00 O ATOM 780 CB VAL B 27 19.339 2.161 27.456 1.00 0.00 C ATOM 781 CG1 VAL B 27 20.774 2.634 27.699 1.00 0.00 C ATOM 782 CG2 VAL B 27 19.219 1.590 26.041 1.00 0.00 C ATOM 0 H VAL B 27 17.075 1.197 27.600 1.00 0.00 H new ATOM 0 HA VAL B 27 19.631 0.210 28.286 1.00 0.00 H new ATOM 0 HB VAL B 27 18.658 3.005 27.570 1.00 0.00 H new ATOM 0 HG11 VAL B 27 21.027 3.413 26.980 1.00 0.00 H new ATOM 0 HG12 VAL B 27 20.860 3.032 28.710 1.00 0.00 H new ATOM 0 HG13 VAL B 27 21.459 1.794 27.580 1.00 0.00 H new ATOM 0 HG21 VAL B 27 19.469 2.363 25.314 1.00 0.00 H new ATOM 0 HG22 VAL B 27 19.905 0.750 25.928 1.00 0.00 H new ATOM 0 HG23 VAL B 27 18.198 1.249 25.871 1.00 0.00 H new ATOM 792 N MET B 28 18.268 2.358 30.372 1.00 0.00 N ATOM 793 CA MET B 28 18.328 2.906 31.727 1.00 0.00 C ATOM 794 C MET B 28 18.283 1.786 32.768 1.00 0.00 C ATOM 795 O MET B 28 18.675 1.980 33.918 1.00 0.00 O ATOM 796 CB MET B 28 17.166 3.871 31.960 1.00 0.00 C ATOM 797 CG MET B 28 17.381 5.155 31.151 1.00 0.00 C ATOM 798 SD MET B 28 18.804 6.068 31.809 1.00 0.00 S ATOM 799 CE MET B 28 18.080 6.548 33.401 1.00 0.00 C ATOM 0 H MET B 28 17.439 2.634 29.845 1.00 0.00 H new ATOM 0 HA MET B 28 19.270 3.445 31.833 1.00 0.00 H new ATOM 0 HB2 MET B 28 16.227 3.400 31.668 1.00 0.00 H new ATOM 0 HB3 MET B 28 17.087 4.109 33.021 1.00 0.00 H new ATOM 0 HG2 MET B 28 17.548 4.911 30.102 1.00 0.00 H new ATOM 0 HG3 MET B 28 16.487 5.777 31.195 1.00 0.00 H new ATOM 0 HE1 MET B 28 18.535 7.478 33.742 1.00 0.00 H new ATOM 0 HE2 MET B 28 17.006 6.692 33.284 1.00 0.00 H new ATOM 0 HE3 MET B 28 18.263 5.763 34.135 1.00 0.00 H new ATOM 809 N LEU B 29 17.821 0.611 32.347 1.00 0.00 N ATOM 810 CA LEU B 29 17.751 -0.546 33.244 1.00 0.00 C ATOM 811 C LEU B 29 19.070 -1.311 33.230 1.00 0.00 C ATOM 812 O LEU B 29 19.631 -1.614 34.283 1.00 0.00 O ATOM 813 CB LEU B 29 16.600 -1.471 32.826 1.00 0.00 C ATOM 814 CG LEU B 29 15.265 -0.902 33.332 1.00 0.00 C ATOM 815 CD1 LEU B 29 14.111 -1.657 32.665 1.00 0.00 C ATOM 816 CD2 LEU B 29 15.172 -1.035 34.872 1.00 0.00 C ATOM 0 H LEU B 29 17.491 0.433 31.398 1.00 0.00 H new ATOM 0 HA LEU B 29 17.566 -0.189 34.257 1.00 0.00 H new ATOM 0 HB2 LEU B 29 16.576 -1.569 31.741 1.00 0.00 H new ATOM 0 HB3 LEU B 29 16.758 -2.470 33.233 1.00 0.00 H new ATOM 0 HG LEU B 29 15.203 0.156 33.076 1.00 0.00 H new ATOM 0 HD11 LEU B 29 13.161 -1.257 33.020 1.00 0.00 H new ATOM 0 HD12 LEU B 29 14.174 -1.536 31.584 1.00 0.00 H new ATOM 0 HD13 LEU B 29 14.176 -2.716 32.916 1.00 0.00 H new ATOM 0 HD21 LEU B 29 14.221 -0.628 35.216 1.00 0.00 H new ATOM 0 HD22 LEU B 29 15.238 -2.087 35.151 1.00 0.00 H new ATOM 0 HD23 LEU B 29 15.991 -0.484 35.335 1.00 0.00 H new ATOM 828 N LYS B 30 19.563 -1.616 32.037 1.00 0.00 N ATOM 829 CA LYS B 30 20.820 -2.344 31.918 1.00 0.00 C ATOM 830 C LYS B 30 21.935 -1.611 32.657 1.00 0.00 C ATOM 831 O LYS B 30 23.060 -2.102 32.745 1.00 0.00 O ATOM 832 CB LYS B 30 21.209 -2.519 30.447 1.00 0.00 C ATOM 833 CG LYS B 30 20.350 -3.612 29.811 1.00 0.00 C ATOM 834 CD LYS B 30 20.751 -3.782 28.347 1.00 0.00 C ATOM 835 CE LYS B 30 19.850 -4.830 27.694 1.00 0.00 C ATOM 836 NZ LYS B 30 20.147 -6.166 28.277 1.00 0.00 N ATOM 0 H LYS B 30 19.120 -1.375 31.150 1.00 0.00 H new ATOM 0 HA LYS B 30 20.681 -3.328 32.366 1.00 0.00 H new ATOM 0 HB2 LYS B 30 21.074 -1.579 29.911 1.00 0.00 H new ATOM 0 HB3 LYS B 30 22.264 -2.781 30.369 1.00 0.00 H new ATOM 0 HG2 LYS B 30 20.481 -4.552 30.347 1.00 0.00 H new ATOM 0 HG3 LYS B 30 19.295 -3.349 29.883 1.00 0.00 H new ATOM 0 HD2 LYS B 30 20.662 -2.831 27.821 1.00 0.00 H new ATOM 0 HD3 LYS B 30 21.795 -4.089 28.277 1.00 0.00 H new ATOM 0 HE2 LYS B 30 18.802 -4.576 27.854 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.013 -4.846 26.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 19.763 -6.908 27.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 21.176 -6.286 28.364 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 19.709 -6.240 29.217 1.00 0.00 H new ATOM 850 N LYS B 31 21.616 -0.437 33.192 1.00 0.00 N ATOM 851 CA LYS B 31 22.594 0.352 33.925 1.00 0.00 C ATOM 852 C LYS B 31 21.887 1.300 34.890 1.00 0.00 C ATOM 853 O LYS B 31 22.035 2.518 34.795 1.00 0.00 O ATOM 854 CB LYS B 31 23.446 1.160 32.942 1.00 0.00 C ATOM 855 CG LYS B 31 24.714 1.681 33.643 1.00 0.00 C ATOM 856 CD LYS B 31 25.837 0.638 33.552 1.00 0.00 C ATOM 857 CE LYS B 31 27.060 1.137 34.321 1.00 0.00 C ATOM 858 NZ LYS B 31 27.606 2.349 33.648 1.00 0.00 N ATOM 0 H LYS B 31 20.690 -0.014 33.131 1.00 0.00 H new ATOM 0 HA LYS B 31 23.236 -0.320 34.494 1.00 0.00 H new ATOM 0 HB2 LYS B 31 23.722 0.537 32.091 1.00 0.00 H new ATOM 0 HB3 LYS B 31 22.868 1.997 32.551 1.00 0.00 H new ATOM 0 HG2 LYS B 31 25.036 2.614 33.181 1.00 0.00 H new ATOM 0 HG3 LYS B 31 24.496 1.901 34.688 1.00 0.00 H new ATOM 0 HD2 LYS B 31 25.499 -0.313 33.963 1.00 0.00 H new ATOM 0 HD3 LYS B 31 26.098 0.459 32.509 1.00 0.00 H new ATOM 0 HE2 LYS B 31 26.786 1.371 35.350 1.00 0.00 H new ATOM 0 HE3 LYS B 31 27.820 0.357 34.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 28.583 2.512 33.966 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 27.596 2.208 32.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 27.021 3.174 33.890 1.00 0.00 H new ATOM 872 N LYS B 32 21.131 0.733 35.825 1.00 0.00 N ATOM 873 CA LYS B 32 20.418 1.542 36.806 1.00 0.00 C ATOM 874 C LYS B 32 21.345 2.597 37.401 1.00 0.00 C ATOM 875 O LYS B 32 21.009 3.767 37.321 1.00 0.00 O ATOM 876 CB LYS B 32 19.885 0.644 37.921 1.00 0.00 C ATOM 877 CG LYS B 32 18.818 -0.292 37.354 1.00 0.00 C ATOM 878 CD LYS B 32 18.307 -1.216 38.459 1.00 0.00 C ATOM 879 CE LYS B 32 17.242 -2.153 37.887 1.00 0.00 C ATOM 880 NZ LYS B 32 16.764 -3.071 38.958 1.00 0.00 N ATOM 0 H LYS B 32 20.997 -0.273 35.924 1.00 0.00 H new ATOM 0 HA LYS B 32 19.587 2.043 36.309 1.00 0.00 H new ATOM 0 HB2 LYS B 32 20.699 0.064 38.356 1.00 0.00 H new ATOM 0 HB3 LYS B 32 19.463 1.251 38.722 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.993 0.288 36.941 1.00 0.00 H new ATOM 0 HG3 LYS B 32 19.234 -0.881 36.537 1.00 0.00 H new ATOM 0 HD2 LYS B 32 19.132 -1.795 38.874 1.00 0.00 H new ATOM 0 HD3 LYS B 32 17.889 -0.628 39.276 1.00 0.00 H new ATOM 0 HE2 LYS B 32 16.408 -1.574 37.490 1.00 0.00 H new ATOM 0 HE3 LYS B 32 17.655 -2.728 37.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 16.040 -3.709 38.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 17.563 -3.632 39.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 16.355 -2.514 39.735 1.00 0.00 H new TER 894 LYS B 32