USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 292 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 Set 1.1: A 8 GLN : amide:sc= 0.403 K(o=0.94,f=-1.7) USER MOD Set 1.2: A 11 LYS NZ :NH3+ 139:sc= 0.533 (180deg=-0.154) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0653 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 0.144 (180deg=0.139) USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0862) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.966 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc=-0.00493 (180deg=-0.211) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 68.861 57.011 16.066 1.00 0.00 N ATOM 2 CA GLY A 1 68.028 57.750 15.104 1.00 0.00 C ATOM 3 C GLY A 1 66.804 56.954 14.667 1.00 0.00 C ATOM 4 O GLY A 1 66.486 55.922 15.256 1.00 0.00 O ATOM 0 H1 GLY A 1 68.979 57.578 16.930 1.00 0.00 H new ATOM 0 H2 GLY A 1 68.400 56.110 16.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 69.793 56.823 15.645 1.00 0.00 H new ATOM 0 HA2 GLY A 1 67.706 58.690 15.552 1.00 0.00 H new ATOM 0 HA3 GLY A 1 68.626 58.003 14.228 1.00 0.00 H new ATOM 10 N ILE A 2 66.124 57.438 13.622 1.00 0.00 N ATOM 11 CA ILE A 2 64.950 56.795 13.057 1.00 0.00 C ATOM 12 C ILE A 2 65.358 55.676 12.095 1.00 0.00 C ATOM 13 O ILE A 2 64.741 55.482 11.050 1.00 0.00 O ATOM 14 CB ILE A 2 64.046 57.851 12.400 1.00 0.00 C ATOM 15 CG1 ILE A 2 64.779 58.900 11.546 1.00 0.00 C ATOM 16 CG2 ILE A 2 63.272 58.592 13.493 1.00 0.00 C ATOM 17 CD1 ILE A 2 65.612 58.296 10.415 1.00 0.00 C ATOM 0 H ILE A 2 66.384 58.301 13.144 1.00 0.00 H new ATOM 0 HA ILE A 2 64.371 56.321 13.850 1.00 0.00 H new ATOM 0 HB ILE A 2 63.399 57.296 11.721 1.00 0.00 H new ATOM 0 HG12 ILE A 2 64.046 59.586 11.120 1.00 0.00 H new ATOM 0 HG13 ILE A 2 65.431 59.490 12.191 1.00 0.00 H new ATOM 0 HG21 ILE A 2 62.628 59.344 13.037 1.00 0.00 H new ATOM 0 HG22 ILE A 2 62.662 57.882 14.052 1.00 0.00 H new ATOM 0 HG23 ILE A 2 63.974 59.079 14.170 1.00 0.00 H new ATOM 0 HD11 ILE A 2 66.100 59.095 9.856 1.00 0.00 H new ATOM 0 HD12 ILE A 2 66.368 57.633 10.834 1.00 0.00 H new ATOM 0 HD13 ILE A 2 64.963 57.730 9.747 1.00 0.00 H new ATOM 29 N LEU A 3 66.409 54.939 12.460 1.00 0.00 N ATOM 30 CA LEU A 3 67.015 53.924 11.621 1.00 0.00 C ATOM 31 C LEU A 3 66.254 52.606 11.704 1.00 0.00 C ATOM 32 O LEU A 3 66.120 51.905 10.703 1.00 0.00 O ATOM 33 CB LEU A 3 68.468 53.727 12.058 1.00 0.00 C ATOM 34 CG LEU A 3 69.296 55.017 11.992 1.00 0.00 C ATOM 35 CD1 LEU A 3 70.709 54.728 12.501 1.00 0.00 C ATOM 36 CD2 LEU A 3 69.380 55.561 10.563 1.00 0.00 C ATOM 0 H LEU A 3 66.866 55.039 13.367 1.00 0.00 H new ATOM 0 HA LEU A 3 66.978 54.255 10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 3 68.486 53.343 13.078 1.00 0.00 H new ATOM 0 HB3 LEU A 3 68.932 52.971 11.425 1.00 0.00 H new ATOM 0 HG LEU A 3 68.807 55.768 12.613 1.00 0.00 H new ATOM 0 HD11 LEU A 3 71.305 55.640 12.458 1.00 0.00 H new ATOM 0 HD12 LEU A 3 70.660 54.375 13.531 1.00 0.00 H new ATOM 0 HD13 LEU A 3 71.171 53.963 11.877 1.00 0.00 H new ATOM 0 HD21 LEU A 3 69.974 56.475 10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 3 69.849 54.818 9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 3 68.377 55.778 10.197 1.00 0.00 H new ATOM 48 N ASP A 4 65.757 52.275 12.899 1.00 0.00 N ATOM 49 CA ASP A 4 64.933 51.109 13.135 1.00 0.00 C ATOM 50 C ASP A 4 63.473 51.488 12.941 1.00 0.00 C ATOM 51 O ASP A 4 62.615 50.618 12.816 1.00 0.00 O ATOM 52 CB ASP A 4 65.173 50.627 14.565 1.00 0.00 C ATOM 53 CG ASP A 4 64.805 51.691 15.596 1.00 0.00 C ATOM 54 OD1 ASP A 4 65.676 52.453 16.012 1.00 0.00 O ATOM 55 OD2 ASP A 4 63.500 51.711 15.995 1.00 0.00 O ATOM 0 H ASP A 4 65.925 52.828 13.740 1.00 0.00 H new ATOM 0 HA ASP A 4 65.185 50.310 12.438 1.00 0.00 H new ATOM 0 HB2 ASP A 4 64.586 49.727 14.748 1.00 0.00 H new ATOM 0 HB3 ASP A 4 66.221 50.354 14.684 1.00 0.00 H new ATOM 61 N THR A 5 63.197 52.796 12.950 1.00 0.00 N ATOM 62 CA THR A 5 61.844 53.304 12.912 1.00 0.00 C ATOM 63 C THR A 5 61.257 53.120 11.517 1.00 0.00 C ATOM 64 O THR A 5 60.176 52.555 11.368 1.00 0.00 O ATOM 65 CB THR A 5 61.825 54.770 13.349 1.00 0.00 C ATOM 66 OG1 THR A 5 62.393 54.879 14.637 1.00 0.00 O ATOM 67 CG2 THR A 5 60.395 55.311 13.387 1.00 0.00 C ATOM 0 H THR A 5 63.912 53.522 12.984 1.00 0.00 H new ATOM 0 HA THR A 5 61.222 52.742 13.609 1.00 0.00 H new ATOM 0 HB THR A 5 62.400 55.353 12.629 1.00 0.00 H new ATOM 0 HG1 THR A 5 62.384 55.817 14.920 1.00 0.00 H new ATOM 0 HG21 THR A 5 60.409 56.355 13.701 1.00 0.00 H new ATOM 0 HG22 THR A 5 59.951 55.236 12.394 1.00 0.00 H new ATOM 0 HG23 THR A 5 59.804 54.728 14.093 1.00 0.00 H new ATOM 75 N LEU A 6 61.985 53.582 10.495 1.00 0.00 N ATOM 76 CA LEU A 6 61.623 53.366 9.108 1.00 0.00 C ATOM 77 C LEU A 6 61.724 51.880 8.768 1.00 0.00 C ATOM 78 O LEU A 6 60.908 51.367 8.007 1.00 0.00 O ATOM 79 CB LEU A 6 62.552 54.186 8.209 1.00 0.00 C ATOM 80 CG LEU A 6 62.476 55.695 8.477 1.00 0.00 C ATOM 81 CD1 LEU A 6 63.477 56.408 7.566 1.00 0.00 C ATOM 82 CD2 LEU A 6 61.075 56.249 8.206 1.00 0.00 C ATOM 0 H LEU A 6 62.844 54.118 10.617 1.00 0.00 H new ATOM 0 HA LEU A 6 60.594 53.687 8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 6 63.578 53.849 8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 6 62.299 53.996 7.166 1.00 0.00 H new ATOM 0 HG LEU A 6 62.710 55.867 9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 6 63.433 57.482 7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.483 56.046 7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.229 56.205 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 6 61.062 57.320 8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 6 60.809 56.072 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 6 60.355 55.749 8.854 1.00 0.00 H new ATOM 94 N LYS A 7 62.718 51.192 9.345 1.00 0.00 N ATOM 95 CA LYS A 7 62.925 49.767 9.168 1.00 0.00 C ATOM 96 C LYS A 7 61.678 48.988 9.584 1.00 0.00 C ATOM 97 O LYS A 7 61.229 48.106 8.854 1.00 0.00 O ATOM 98 CB LYS A 7 64.138 49.347 10.002 1.00 0.00 C ATOM 99 CG LYS A 7 64.577 47.918 9.691 1.00 0.00 C ATOM 100 CD LYS A 7 65.122 47.837 8.266 1.00 0.00 C ATOM 101 CE LYS A 7 65.619 46.421 7.971 1.00 0.00 C ATOM 102 NZ LYS A 7 66.167 46.319 6.609 1.00 0.00 N ATOM 0 H LYS A 7 63.408 51.627 9.957 1.00 0.00 H new ATOM 0 HA LYS A 7 63.111 49.545 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 7 64.965 50.031 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 7 63.896 49.430 11.062 1.00 0.00 H new ATOM 0 HG2 LYS A 7 65.342 47.601 10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 7 63.734 47.237 9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 7 64.343 48.113 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 7 65.937 48.550 8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 66.385 46.144 8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 7 64.798 45.713 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 66.496 45.347 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 65.428 46.560 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 66.965 46.977 6.506 1.00 0.00 H new ATOM 116 N GLN A 8 61.123 49.327 10.753 1.00 0.00 N ATOM 117 CA GLN A 8 59.918 48.720 11.289 1.00 0.00 C ATOM 118 C GLN A 8 58.763 48.887 10.308 1.00 0.00 C ATOM 119 O GLN A 8 58.071 47.922 9.989 1.00 0.00 O ATOM 120 CB GLN A 8 59.598 49.373 12.636 1.00 0.00 C ATOM 121 CG GLN A 8 58.324 48.808 13.267 1.00 0.00 C ATOM 122 CD GLN A 8 58.394 47.297 13.457 1.00 0.00 C ATOM 123 OE1 GLN A 8 57.617 46.559 12.854 1.00 0.00 O ATOM 124 NE2 GLN A 8 59.323 46.836 14.299 1.00 0.00 N ATOM 0 H GLN A 8 61.514 50.048 11.360 1.00 0.00 H new ATOM 0 HA GLN A 8 60.071 47.651 11.438 1.00 0.00 H new ATOM 0 HB2 GLN A 8 60.435 49.224 13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 8 59.487 50.449 12.499 1.00 0.00 H new ATOM 0 HG2 GLN A 8 58.156 49.286 14.232 1.00 0.00 H new ATOM 0 HG3 GLN A 8 57.469 49.054 12.637 1.00 0.00 H new ATOM 0 HE21 GLN A 8 59.946 47.487 14.777 1.00 0.00 H new ATOM 0 HE22 GLN A 8 59.409 45.833 14.464 1.00 0.00 H new ATOM 133 N PHE A 9 58.568 50.120 9.831 1.00 0.00 N ATOM 134 CA PHE A 9 57.525 50.448 8.878 1.00 0.00 C ATOM 135 C PHE A 9 57.779 49.767 7.536 1.00 0.00 C ATOM 136 O PHE A 9 56.849 49.241 6.929 1.00 0.00 O ATOM 137 CB PHE A 9 57.452 51.968 8.721 1.00 0.00 C ATOM 138 CG PHE A 9 56.378 52.439 7.764 1.00 0.00 C ATOM 139 CD1 PHE A 9 55.033 52.439 8.166 1.00 0.00 C ATOM 140 CD2 PHE A 9 56.723 52.884 6.478 1.00 0.00 C ATOM 141 CE1 PHE A 9 54.037 52.891 7.288 1.00 0.00 C ATOM 142 CE2 PHE A 9 55.728 53.342 5.602 1.00 0.00 C ATOM 143 CZ PHE A 9 54.385 53.347 6.007 1.00 0.00 C ATOM 0 H PHE A 9 59.139 50.920 10.103 1.00 0.00 H new ATOM 0 HA PHE A 9 56.568 50.081 9.249 1.00 0.00 H new ATOM 0 HB2 PHE A 9 57.274 52.415 9.699 1.00 0.00 H new ATOM 0 HB3 PHE A 9 58.419 52.334 8.374 1.00 0.00 H new ATOM 0 HD1 PHE A 9 54.765 52.091 9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 9 57.756 52.874 6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 9 53.002 52.888 7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 9 55.996 53.691 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 9 53.619 53.702 5.333 1.00 0.00 H new ATOM 153 N ALA A 10 59.034 49.781 7.074 1.00 0.00 N ATOM 154 CA ALA A 10 59.411 49.225 5.785 1.00 0.00 C ATOM 155 C ALA A 10 59.131 47.727 5.712 1.00 0.00 C ATOM 156 O ALA A 10 58.661 47.250 4.682 1.00 0.00 O ATOM 157 CB ALA A 10 60.888 49.513 5.517 1.00 0.00 C ATOM 0 H ALA A 10 59.816 50.182 7.592 1.00 0.00 H new ATOM 0 HA ALA A 10 58.804 49.702 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.170 49.096 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.053 50.590 5.510 1.00 0.00 H new ATOM 0 HB3 ALA A 10 61.495 49.058 6.300 1.00 0.00 H new ATOM 163 N LYS A 11 59.405 46.984 6.793 1.00 0.00 N ATOM 164 CA LYS A 11 59.110 45.559 6.836 1.00 0.00 C ATOM 165 C LYS A 11 57.645 45.310 7.187 1.00 0.00 C ATOM 166 O LYS A 11 57.126 44.231 6.907 1.00 0.00 O ATOM 167 CB LYS A 11 60.070 44.820 7.775 1.00 0.00 C ATOM 168 CG LYS A 11 59.866 45.155 9.254 1.00 0.00 C ATOM 169 CD LYS A 11 60.824 44.294 10.084 1.00 0.00 C ATOM 170 CE LYS A 11 60.687 44.564 11.583 1.00 0.00 C ATOM 171 NZ LYS A 11 59.340 44.233 12.075 1.00 0.00 N ATOM 0 H LYS A 11 59.830 47.352 7.644 1.00 0.00 H new ATOM 0 HA LYS A 11 59.270 45.150 5.839 1.00 0.00 H new ATOM 0 HB2 LYS A 11 59.946 43.746 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.095 45.062 7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 11 60.057 46.213 9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 11 58.834 44.963 9.547 1.00 0.00 H new ATOM 0 HD2 LYS A 11 60.628 43.240 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 11 61.850 44.491 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 11 61.427 43.978 12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 11 60.900 45.614 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 59.414 43.761 12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 58.783 45.105 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 58.870 43.598 11.399 1.00 0.00 H new ATOM 185 N GLY A 12 56.969 46.313 7.762 1.00 0.00 N ATOM 186 CA GLY A 12 55.532 46.278 7.952 1.00 0.00 C ATOM 187 C GLY A 12 54.815 46.644 6.662 1.00 0.00 C ATOM 188 O GLY A 12 53.734 46.126 6.392 1.00 0.00 O ATOM 0 H GLY A 12 57.411 47.166 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 12 55.226 45.283 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 12 55.247 46.972 8.743 1.00 0.00 H new ATOM 192 N VAL A 13 55.460 47.465 5.827 1.00 0.00 N ATOM 193 CA VAL A 13 55.133 47.536 4.419 1.00 0.00 C ATOM 194 C VAL A 13 55.993 46.488 3.716 1.00 0.00 C ATOM 195 O VAL A 13 56.640 46.747 2.704 1.00 0.00 O ATOM 196 CB VAL A 13 55.373 48.969 3.932 1.00 0.00 C ATOM 197 CG1 VAL A 13 54.977 49.170 2.469 1.00 0.00 C ATOM 198 CG2 VAL A 13 54.540 49.952 4.762 1.00 0.00 C ATOM 0 H VAL A 13 56.214 48.089 6.114 1.00 0.00 H new ATOM 0 HA VAL A 13 54.088 47.315 4.204 1.00 0.00 H new ATOM 0 HB VAL A 13 56.442 49.150 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 13 55.169 50.203 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 13 55.563 48.501 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 13 53.917 48.949 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 13 54.717 50.968 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 13 53.482 49.711 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 13 54.827 49.877 5.811 1.00 0.00 H new ATOM 208 N GLY A 14 56.000 45.288 4.299 1.00 0.00 N ATOM 209 CA GLY A 14 56.690 44.125 3.779 1.00 0.00 C ATOM 210 C GLY A 14 55.904 42.870 4.139 1.00 0.00 C ATOM 211 O GLY A 14 55.948 41.888 3.404 1.00 0.00 O ATOM 0 H GLY A 14 55.508 45.102 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 14 56.795 44.204 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 14 57.696 44.069 4.194 1.00 0.00 H new ATOM 215 N LYS A 15 55.163 42.918 5.253 1.00 0.00 N ATOM 216 CA LYS A 15 54.259 41.849 5.647 1.00 0.00 C ATOM 217 C LYS A 15 52.881 42.082 5.036 1.00 0.00 C ATOM 218 O LYS A 15 52.120 41.136 4.850 1.00 0.00 O ATOM 219 CB LYS A 15 54.224 41.707 7.170 1.00 0.00 C ATOM 220 CG LYS A 15 53.554 42.880 7.894 1.00 0.00 C ATOM 221 CD LYS A 15 52.041 42.683 8.028 1.00 0.00 C ATOM 222 CE LYS A 15 51.413 43.820 8.837 1.00 0.00 C ATOM 223 NZ LYS A 15 51.511 45.109 8.134 1.00 0.00 N ATOM 0 H LYS A 15 55.179 43.704 5.903 1.00 0.00 H new ATOM 0 HA LYS A 15 54.624 40.898 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 15 53.697 40.788 7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 15 55.245 41.603 7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 15 53.994 42.993 8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 15 53.753 43.803 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 15 51.586 42.641 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 15 51.836 41.729 8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 15 50.365 43.591 9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 15 51.909 43.895 9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 51.045 45.848 8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 52.512 45.356 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 51.045 45.035 7.207 1.00 0.00 H new ATOM 237 N ASP A 16 52.582 43.339 4.689 1.00 0.00 N ATOM 238 CA ASP A 16 51.438 43.684 3.867 1.00 0.00 C ATOM 239 C ASP A 16 51.692 43.242 2.425 1.00 0.00 C ATOM 240 O ASP A 16 50.747 42.987 1.680 1.00 0.00 O ATOM 241 CB ASP A 16 51.223 45.198 3.935 1.00 0.00 C ATOM 242 CG ASP A 16 50.010 45.631 3.119 1.00 0.00 C ATOM 243 OD1 ASP A 16 50.174 46.313 2.110 1.00 0.00 O ATOM 244 OD2 ASP A 16 48.798 45.214 3.588 1.00 0.00 O ATOM 0 H ASP A 16 53.137 44.145 4.978 1.00 0.00 H new ATOM 0 HA ASP A 16 50.544 43.177 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 16 51.090 45.501 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 16 52.112 45.709 3.565 1.00 0.00 H new ATOM 250 N LEU A 17 52.970 43.172 2.032 1.00 0.00 N ATOM 251 CA LEU A 17 53.394 42.813 0.697 1.00 0.00 C ATOM 252 C LEU A 17 53.585 41.310 0.628 1.00 0.00 C ATOM 253 O LEU A 17 53.088 40.662 -0.291 1.00 0.00 O ATOM 254 CB LEU A 17 54.710 43.518 0.369 1.00 0.00 C ATOM 255 CG LEU A 17 54.630 45.045 0.498 1.00 0.00 C ATOM 256 CD1 LEU A 17 55.939 45.648 -0.014 1.00 0.00 C ATOM 257 CD2 LEU A 17 53.469 45.627 -0.312 1.00 0.00 C ATOM 0 H LEU A 17 53.749 43.371 2.660 1.00 0.00 H new ATOM 0 HA LEU A 17 52.638 43.120 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 17 55.489 43.145 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 17 55.008 43.261 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 17 54.465 45.289 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 17 55.897 46.734 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 17 56.771 45.269 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 17 56.083 45.371 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 17 53.449 46.710 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 17 53.601 45.380 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 17 52.529 45.205 0.044 1.00 0.00 H new ATOM 269 N VAL A 18 54.299 40.759 1.616 1.00 0.00 N ATOM 270 CA VAL A 18 54.448 39.323 1.729 1.00 0.00 C ATOM 271 C VAL A 18 53.082 38.713 2.039 1.00 0.00 C ATOM 272 O VAL A 18 52.785 37.606 1.593 1.00 0.00 O ATOM 273 CB VAL A 18 55.500 38.995 2.793 1.00 0.00 C ATOM 274 CG1 VAL A 18 55.433 37.527 3.206 1.00 0.00 C ATOM 275 CG2 VAL A 18 56.899 39.287 2.242 1.00 0.00 C ATOM 0 H VAL A 18 54.777 41.293 2.342 1.00 0.00 H new ATOM 0 HA VAL A 18 54.802 38.891 0.793 1.00 0.00 H new ATOM 0 HB VAL A 18 55.297 39.615 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 18 56.192 37.327 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 18 54.447 37.309 3.615 1.00 0.00 H new ATOM 0 HG13 VAL A 18 55.612 36.896 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 18 57.645 39.053 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 18 57.077 38.675 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 18 56.972 40.341 1.975 1.00 0.00 H new ATOM 285 N LYS A 19 52.241 39.457 2.766 1.00 0.00 N ATOM 286 CA LYS A 19 50.865 39.071 3.034 1.00 0.00 C ATOM 287 C LYS A 19 50.060 39.103 1.739 1.00 0.00 C ATOM 288 O LYS A 19 49.233 38.227 1.495 1.00 0.00 O ATOM 289 CB LYS A 19 50.275 40.022 4.083 1.00 0.00 C ATOM 290 CG LYS A 19 48.846 39.654 4.504 1.00 0.00 C ATOM 291 CD LYS A 19 47.807 40.123 3.481 1.00 0.00 C ATOM 292 CE LYS A 19 46.384 39.761 3.921 1.00 0.00 C ATOM 293 NZ LYS A 19 45.970 40.500 5.127 1.00 0.00 N ATOM 0 H LYS A 19 52.505 40.349 3.185 1.00 0.00 H new ATOM 0 HA LYS A 19 50.827 38.055 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 19 50.917 40.022 4.964 1.00 0.00 H new ATOM 0 HB3 LYS A 19 50.279 41.037 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 19 48.771 38.574 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 19 48.627 40.101 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 19 47.885 41.202 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 19 48.017 39.668 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 19 45.689 39.975 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 19 46.327 38.690 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 44.953 40.355 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 46.506 40.153 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 46.159 41.514 4.995 1.00 0.00 H new ATOM 307 N GLY A 20 50.324 40.116 0.907 1.00 0.00 N ATOM 308 CA GLY A 20 49.673 40.305 -0.375 1.00 0.00 C ATOM 309 C GLY A 20 50.149 39.251 -1.365 1.00 0.00 C ATOM 310 O GLY A 20 49.345 38.683 -2.101 1.00 0.00 O ATOM 0 H GLY A 20 51.013 40.838 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 20 48.592 40.240 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 20 49.892 41.301 -0.759 1.00 0.00 H new ATOM 314 N ALA A 21 51.456 38.969 -1.359 1.00 0.00 N ATOM 315 CA ALA A 21 52.010 37.857 -2.106 1.00 0.00 C ATOM 316 C ALA A 21 51.451 36.543 -1.570 1.00 0.00 C ATOM 317 O ALA A 21 51.219 35.613 -2.339 1.00 0.00 O ATOM 318 CB ALA A 21 53.535 37.880 -2.014 1.00 0.00 C ATOM 0 H ALA A 21 52.148 39.507 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 21 51.728 37.947 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 21 53.946 37.042 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 21 53.910 38.815 -2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 21 53.838 37.799 -0.970 1.00 0.00 H new ATOM 324 N ALA A 22 51.225 36.480 -0.253 1.00 0.00 N ATOM 325 CA ALA A 22 50.685 35.298 0.398 1.00 0.00 C ATOM 326 C ALA A 22 49.157 35.331 0.450 1.00 0.00 C ATOM 327 O ALA A 22 48.560 34.728 1.341 1.00 0.00 O ATOM 328 CB ALA A 22 51.287 35.158 1.797 1.00 0.00 C ATOM 0 H ALA A 22 51.414 37.252 0.386 1.00 0.00 H new ATOM 0 HA ALA A 22 50.960 34.423 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 22 50.879 34.271 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.370 35.064 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 22 51.041 36.040 2.389 1.00 0.00 H new ATOM 334 N GLN A 23 48.519 36.026 -0.500 1.00 0.00 N ATOM 335 CA GLN A 23 47.071 36.094 -0.583 1.00 0.00 C ATOM 336 C GLN A 23 46.541 34.813 -1.219 1.00 0.00 C ATOM 337 O GLN A 23 45.799 34.065 -0.585 1.00 0.00 O ATOM 338 CB GLN A 23 46.668 37.331 -1.389 1.00 0.00 C ATOM 339 CG GLN A 23 45.147 37.474 -1.432 1.00 0.00 C ATOM 340 CD GLN A 23 44.731 38.739 -2.175 1.00 0.00 C ATOM 341 OE1 GLN A 23 44.190 38.665 -3.276 1.00 0.00 O ATOM 342 NE2 GLN A 23 44.980 39.903 -1.569 1.00 0.00 N ATOM 0 H GLN A 23 49.000 36.554 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 23 46.637 36.182 0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 23 47.110 38.222 -0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 23 47.060 37.254 -2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 23 44.711 36.603 -1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 23 44.753 37.500 -0.416 1.00 0.00 H new ATOM 0 HE21 GLN A 23 45.431 39.916 -0.654 1.00 0.00 H new ATOM 0 HE22 GLN A 23 44.719 40.779 -2.021 1.00 0.00 H new ATOM 351 N GLY A 24 46.934 34.562 -2.471 1.00 0.00 N ATOM 352 CA GLY A 24 46.554 33.365 -3.197 1.00 0.00 C ATOM 353 C GLY A 24 47.312 33.318 -4.517 1.00 0.00 C ATOM 354 O GLY A 24 46.707 33.176 -5.577 1.00 0.00 O ATOM 0 H GLY A 24 47.529 35.194 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 24 46.778 32.479 -2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 24 45.480 33.362 -3.381 1.00 0.00 H new ATOM 358 N VAL A 25 48.640 33.452 -4.444 1.00 0.00 N ATOM 359 CA VAL A 25 49.493 33.459 -5.618 1.00 0.00 C ATOM 360 C VAL A 25 49.605 32.048 -6.187 1.00 0.00 C ATOM 361 O VAL A 25 49.453 31.848 -7.390 1.00 0.00 O ATOM 362 CB VAL A 25 50.856 34.074 -5.273 1.00 0.00 C ATOM 363 CG1 VAL A 25 51.671 33.235 -4.286 1.00 0.00 C ATOM 364 CG2 VAL A 25 51.675 34.301 -6.545 1.00 0.00 C ATOM 0 H VAL A 25 49.146 33.558 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 25 49.053 34.082 -6.396 1.00 0.00 H new ATOM 0 HB VAL A 25 50.643 35.025 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 25 52.622 33.729 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 25 51.116 33.128 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 25 51.856 32.249 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 25 52.639 34.738 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 25 51.833 33.348 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 25 51.137 34.979 -7.208 1.00 0.00 H new ATOM 374 N LEU A 26 49.838 31.072 -5.306 1.00 0.00 N ATOM 375 CA LEU A 26 49.880 29.664 -5.660 1.00 0.00 C ATOM 376 C LEU A 26 48.518 29.209 -6.177 1.00 0.00 C ATOM 377 O LEU A 26 48.446 28.389 -7.090 1.00 0.00 O ATOM 378 CB LEU A 26 50.285 28.836 -4.437 1.00 0.00 C ATOM 379 CG LEU A 26 51.637 29.248 -3.841 1.00 0.00 C ATOM 380 CD1 LEU A 26 51.928 28.371 -2.622 1.00 0.00 C ATOM 381 CD2 LEU A 26 52.774 29.089 -4.853 1.00 0.00 C ATOM 0 H LEU A 26 50.004 31.247 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 26 50.617 29.517 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 26 49.515 28.932 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 26 50.326 27.784 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 26 51.579 30.300 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.887 28.655 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 26 51.141 28.507 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.963 27.325 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 26 53.715 29.391 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 52.840 28.047 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.577 29.716 -5.723 1.00 0.00 H new ATOM 393 N SER A 27 47.440 29.750 -5.597 1.00 0.00 N ATOM 394 CA SER A 27 46.081 29.433 -5.997 1.00 0.00 C ATOM 395 C SER A 27 45.824 29.902 -7.426 1.00 0.00 C ATOM 396 O SER A 27 45.295 29.143 -8.234 1.00 0.00 O ATOM 397 CB SER A 27 45.093 30.079 -5.025 1.00 0.00 C ATOM 398 OG SER A 27 45.362 29.645 -3.710 1.00 0.00 O ATOM 0 H SER A 27 47.496 30.423 -4.833 1.00 0.00 H new ATOM 0 HA SER A 27 45.942 28.352 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 27 45.170 31.165 -5.082 1.00 0.00 H new ATOM 0 HB3 SER A 27 44.072 29.817 -5.302 1.00 0.00 H new ATOM 0 HG SER A 27 44.727 30.063 -3.091 1.00 0.00 H new ATOM 404 N THR A 28 46.213 31.146 -7.735 1.00 0.00 N ATOM 405 CA THR A 28 46.064 31.717 -9.064 1.00 0.00 C ATOM 406 C THR A 28 46.778 30.851 -10.097 1.00 0.00 C ATOM 407 O THR A 28 46.187 30.494 -11.114 1.00 0.00 O ATOM 408 CB THR A 28 46.610 33.148 -9.089 1.00 0.00 C ATOM 409 OG1 THR A 28 45.882 33.942 -8.178 1.00 0.00 O ATOM 410 CG2 THR A 28 46.492 33.750 -10.493 1.00 0.00 C ATOM 0 H THR A 28 46.641 31.781 -7.061 1.00 0.00 H new ATOM 0 HA THR A 28 45.004 31.747 -9.316 1.00 0.00 H new ATOM 0 HB THR A 28 47.663 33.124 -8.807 1.00 0.00 H new ATOM 0 HG1 THR A 28 46.138 33.706 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 28 46.886 34.766 -10.487 1.00 0.00 H new ATOM 0 HG22 THR A 28 47.062 33.144 -11.198 1.00 0.00 H new ATOM 0 HG23 THR A 28 45.445 33.768 -10.794 1.00 0.00 H new ATOM 418 N VAL A 29 48.046 30.517 -9.831 1.00 0.00 N ATOM 419 CA VAL A 29 48.866 29.698 -10.705 1.00 0.00 C ATOM 420 C VAL A 29 48.176 28.369 -11.015 1.00 0.00 C ATOM 421 O VAL A 29 48.326 27.842 -12.116 1.00 0.00 O ATOM 422 CB VAL A 29 50.239 29.492 -10.052 1.00 0.00 C ATOM 423 CG1 VAL A 29 51.077 28.479 -10.830 1.00 0.00 C ATOM 424 CG2 VAL A 29 51.003 30.818 -10.010 1.00 0.00 C ATOM 0 H VAL A 29 48.531 30.818 -8.986 1.00 0.00 H new ATOM 0 HA VAL A 29 49.006 30.206 -11.659 1.00 0.00 H new ATOM 0 HB VAL A 29 50.069 29.117 -9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 29 52.044 28.355 -10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 29 50.558 27.521 -10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 29 51.228 28.837 -11.848 1.00 0.00 H new ATOM 0 HG21 VAL A 29 51.976 30.662 -9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 29 51.141 31.191 -11.025 1.00 0.00 H new ATOM 0 HG23 VAL A 29 50.436 31.546 -9.430 1.00 0.00 H new ATOM 434 N SER A 30 47.410 27.833 -10.058 1.00 0.00 N ATOM 435 CA SER A 30 46.694 26.584 -10.249 1.00 0.00 C ATOM 436 C SER A 30 45.503 26.785 -11.179 1.00 0.00 C ATOM 437 O SER A 30 45.460 26.199 -12.259 1.00 0.00 O ATOM 438 CB SER A 30 46.263 26.020 -8.894 1.00 0.00 C ATOM 439 OG SER A 30 45.610 24.782 -9.076 1.00 0.00 O ATOM 0 H SER A 30 47.275 28.255 -9.139 1.00 0.00 H new ATOM 0 HA SER A 30 47.357 25.860 -10.722 1.00 0.00 H new ATOM 0 HB2 SER A 30 47.133 25.891 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 30 45.597 26.722 -8.393 1.00 0.00 H new ATOM 0 HG SER A 30 45.338 24.425 -8.205 1.00 0.00 H new ATOM 445 N CYS A 31 44.545 27.619 -10.764 1.00 0.00 N ATOM 446 CA CYS A 31 43.374 27.925 -11.570 1.00 0.00 C ATOM 447 C CYS A 31 43.710 28.890 -12.709 1.00 0.00 C ATOM 448 O CYS A 31 42.804 29.482 -13.293 1.00 0.00 O ATOM 449 CB CYS A 31 42.264 28.480 -10.674 1.00 0.00 C ATOM 450 SG CYS A 31 42.706 29.913 -9.655 1.00 0.00 S ATOM 0 H CYS A 31 44.565 28.096 -9.863 1.00 0.00 H new ATOM 0 HA CYS A 31 43.022 27.004 -12.035 1.00 0.00 H new ATOM 0 HB2 CYS A 31 41.419 28.755 -11.305 1.00 0.00 H new ATOM 0 HB3 CYS A 31 41.923 27.682 -10.015 1.00 0.00 H new ATOM 455 N LYS A 32 45.000 29.051 -13.031 1.00 0.00 N ATOM 456 CA LYS A 32 45.448 29.950 -14.077 1.00 0.00 C ATOM 457 C LYS A 32 45.520 29.243 -15.430 1.00 0.00 C ATOM 458 O LYS A 32 45.309 29.877 -16.461 1.00 0.00 O ATOM 459 CB LYS A 32 46.799 30.529 -13.677 1.00 0.00 C ATOM 460 CG LYS A 32 47.293 31.465 -14.772 1.00 0.00 C ATOM 461 CD LYS A 32 48.239 32.494 -14.159 1.00 0.00 C ATOM 462 CE LYS A 32 48.710 33.488 -15.218 1.00 0.00 C ATOM 463 NZ LYS A 32 49.595 34.508 -14.634 1.00 0.00 N ATOM 0 H LYS A 32 45.759 28.554 -12.564 1.00 0.00 H new ATOM 0 HA LYS A 32 44.727 30.760 -14.191 1.00 0.00 H new ATOM 0 HB2 LYS A 32 46.711 31.069 -12.734 1.00 0.00 H new ATOM 0 HB3 LYS A 32 47.519 29.726 -13.518 1.00 0.00 H new ATOM 0 HG2 LYS A 32 47.806 30.898 -15.548 1.00 0.00 H new ATOM 0 HG3 LYS A 32 46.450 31.966 -15.248 1.00 0.00 H new ATOM 0 HD2 LYS A 32 47.734 33.026 -13.353 1.00 0.00 H new ATOM 0 HD3 LYS A 32 49.099 31.989 -13.718 1.00 0.00 H new ATOM 0 HE2 LYS A 32 49.237 32.957 -16.011 1.00 0.00 H new ATOM 0 HE3 LYS A 32 47.847 33.971 -15.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 49.899 35.170 -15.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 49.083 35.030 -13.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 50.429 34.047 -14.218 1.00 0.00 H new ATOM 477 N LEU A 33 45.829 27.940 -15.429 1.00 0.00 N ATOM 478 CA LEU A 33 45.968 27.140 -16.637 1.00 0.00 C ATOM 479 C LEU A 33 44.748 27.300 -17.543 1.00 0.00 C ATOM 480 O LEU A 33 44.869 27.827 -18.648 1.00 0.00 O ATOM 481 CB LEU A 33 46.198 25.675 -16.247 1.00 0.00 C ATOM 482 CG LEU A 33 46.330 24.745 -17.461 1.00 0.00 C ATOM 483 CD1 LEU A 33 47.531 25.123 -18.332 1.00 0.00 C ATOM 484 CD2 LEU A 33 46.504 23.308 -16.967 1.00 0.00 C ATOM 0 H LEU A 33 45.990 27.411 -14.572 1.00 0.00 H new ATOM 0 HA LEU A 33 46.830 27.489 -17.206 1.00 0.00 H new ATOM 0 HB2 LEU A 33 47.102 25.603 -15.641 1.00 0.00 H new ATOM 0 HB3 LEU A 33 45.370 25.336 -15.625 1.00 0.00 H new ATOM 0 HG LEU A 33 45.428 24.841 -18.066 1.00 0.00 H new ATOM 0 HD11 LEU A 33 47.593 24.443 -19.182 1.00 0.00 H new ATOM 0 HD12 LEU A 33 47.412 26.145 -18.693 1.00 0.00 H new ATOM 0 HD13 LEU A 33 48.445 25.051 -17.743 1.00 0.00 H new ATOM 0 HD21 LEU A 33 46.599 22.638 -17.822 1.00 0.00 H new ATOM 0 HD22 LEU A 33 47.402 23.241 -16.352 1.00 0.00 H new ATOM 0 HD23 LEU A 33 45.636 23.019 -16.374 1.00 0.00 H new ATOM 496 N ALA A 34 43.574 26.866 -17.071 1.00 0.00 N ATOM 497 CA ALA A 34 42.318 27.060 -17.781 1.00 0.00 C ATOM 498 C ALA A 34 41.764 28.468 -17.558 1.00 0.00 C ATOM 499 O ALA A 34 40.787 28.857 -18.195 1.00 0.00 O ATOM 500 CB ALA A 34 41.313 26.000 -17.333 1.00 0.00 C ATOM 0 H ALA A 34 43.475 26.371 -16.185 1.00 0.00 H new ATOM 0 HA ALA A 34 42.499 26.952 -18.850 1.00 0.00 H new ATOM 0 HB1 ALA A 34 40.372 26.144 -17.864 1.00 0.00 H new ATOM 0 HB2 ALA A 34 41.707 25.008 -17.555 1.00 0.00 H new ATOM 0 HB3 ALA A 34 41.142 26.091 -16.260 1.00 0.00 H new ATOM 506 N LYS A 35 42.403 29.221 -16.657 1.00 0.00 N ATOM 507 CA LYS A 35 42.070 30.582 -16.286 1.00 0.00 C ATOM 508 C LYS A 35 40.576 30.761 -16.035 1.00 0.00 C ATOM 509 O LYS A 35 39.926 31.604 -16.650 1.00 0.00 O ATOM 510 CB LYS A 35 42.637 31.549 -17.328 1.00 0.00 C ATOM 511 CG LYS A 35 42.653 33.000 -16.840 1.00 0.00 C ATOM 512 CD LYS A 35 43.363 33.143 -15.489 1.00 0.00 C ATOM 513 CE LYS A 35 43.485 34.614 -15.082 1.00 0.00 C ATOM 514 NZ LYS A 35 44.383 35.362 -15.978 1.00 0.00 N ATOM 0 H LYS A 35 43.211 28.868 -16.143 1.00 0.00 H new ATOM 0 HA LYS A 35 42.539 30.817 -15.331 1.00 0.00 H new ATOM 0 HB2 LYS A 35 43.652 31.245 -17.585 1.00 0.00 H new ATOM 0 HB3 LYS A 35 42.044 31.483 -18.240 1.00 0.00 H new ATOM 0 HG2 LYS A 35 43.152 33.626 -17.580 1.00 0.00 H new ATOM 0 HG3 LYS A 35 41.629 33.364 -16.752 1.00 0.00 H new ATOM 0 HD2 LYS A 35 42.811 32.596 -14.725 1.00 0.00 H new ATOM 0 HD3 LYS A 35 44.355 32.695 -15.547 1.00 0.00 H new ATOM 0 HE2 LYS A 35 42.498 35.076 -15.091 1.00 0.00 H new ATOM 0 HE3 LYS A 35 43.858 34.678 -14.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 44.626 36.275 -15.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 45.251 34.812 -16.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 43.907 35.528 -16.887 1.00 0.00 H new ATOM 528 N THR A 36 40.050 29.989 -15.079 1.00 0.00 N ATOM 529 CA THR A 36 38.778 30.299 -14.450 1.00 0.00 C ATOM 530 C THR A 36 38.980 31.443 -13.453 1.00 0.00 C ATOM 531 O THR A 36 38.017 32.107 -13.075 1.00 0.00 O ATOM 532 CB THR A 36 38.194 29.046 -13.786 1.00 0.00 C ATOM 533 OG1 THR A 36 36.917 29.343 -13.264 1.00 0.00 O ATOM 534 CG2 THR A 36 39.083 28.516 -12.659 1.00 0.00 C ATOM 0 H THR A 36 40.495 29.141 -14.727 1.00 0.00 H new ATOM 0 HA THR A 36 38.057 30.625 -15.199 1.00 0.00 H new ATOM 0 HB THR A 36 38.129 28.272 -14.551 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.542 28.542 -12.841 1.00 0.00 H new ATOM 0 HG21 THR A 36 38.626 27.629 -12.221 1.00 0.00 H new ATOM 0 HG22 THR A 36 40.064 28.259 -13.059 1.00 0.00 H new ATOM 0 HG23 THR A 36 39.194 29.283 -11.892 1.00 0.00 H new ATOM 542 N CYS A 37 40.237 31.684 -13.053 1.00 0.00 N ATOM 543 CA CYS A 37 40.615 32.779 -12.177 1.00 0.00 C ATOM 544 C CYS A 37 41.100 33.965 -13.008 1.00 0.00 C ATOM 545 O CYS A 37 41.309 33.823 -14.211 1.00 0.00 O ATOM 546 CB CYS A 37 41.713 32.297 -11.229 1.00 0.00 C ATOM 547 SG CYS A 37 41.137 31.183 -9.923 1.00 0.00 S ATOM 548 OXT CYS A 37 41.268 35.136 -12.327 1.00 0.00 O ATOM 0 H CYS A 37 41.027 31.107 -13.340 1.00 0.00 H new ATOM 0 HA CYS A 37 39.754 33.104 -11.592 1.00 0.00 H new ATOM 0 HB2 CYS A 37 42.481 31.788 -11.811 1.00 0.00 H new ATOM 0 HB3 CYS A 37 42.185 33.165 -10.768 1.00 0.00 H new TER 554 CYS A 37