USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 376 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -147:sc= -0.0937 (180deg=-1.05) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0113 (180deg=-0.208) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= -3.15! (180deg=-5.77!) USER MOD Single : A 22 SER OG : rot 72:sc= 0.944 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00802 USER MOD Single : A 25 THR OG1 : rot -17:sc= -1.59 USER MOD Single : A 27 SER OG : rot 91:sc= 1.24 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.94! C(o=-2.9!,f=-3.5!) USER MOD Single : A 35 LYS NZ :NH3+ 138:sc= -1.38 (180deg=-3.45!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -4.4! C(o=-4.4!,f=-5.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00618 USER MOD Single : A 42 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.011) USER MOD Single : A 46 LYS NZ :NH3+ -132:sc= 0.186 (180deg=-0.183) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 9 8.057 -13.665 -12.310 1.00 0.00 N ATOM 2 CA ALA A 9 6.718 -13.962 -12.897 1.00 0.00 C ATOM 3 C ALA A 9 5.632 -13.580 -11.897 1.00 0.00 C ATOM 4 O ALA A 9 5.715 -13.916 -10.716 1.00 0.00 O ATOM 5 CB ALA A 9 6.627 -15.453 -13.222 1.00 0.00 C ATOM 0 HA ALA A 9 6.580 -13.387 -13.813 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.649 -15.673 -13.651 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.405 -15.718 -13.938 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.761 -16.033 -12.309 1.00 0.00 H new ATOM 11 N ALA A 10 4.612 -12.875 -12.379 1.00 0.00 N ATOM 12 CA ALA A 10 3.507 -12.452 -11.520 1.00 0.00 C ATOM 13 C ALA A 10 2.438 -13.536 -11.453 1.00 0.00 C ATOM 14 O ALA A 10 2.513 -14.540 -12.162 1.00 0.00 O ATOM 15 CB ALA A 10 2.886 -11.162 -12.063 1.00 0.00 C ATOM 0 H ALA A 10 4.526 -12.585 -13.353 1.00 0.00 H new ATOM 0 HA ALA A 10 3.899 -12.276 -10.518 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.064 -10.854 -11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.642 -10.377 -12.088 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.510 -11.336 -13.071 1.00 0.00 H new ATOM 21 N THR A 11 1.441 -13.327 -10.595 1.00 0.00 N ATOM 22 CA THR A 11 0.352 -14.289 -10.433 1.00 0.00 C ATOM 23 C THR A 11 -0.975 -13.557 -10.258 1.00 0.00 C ATOM 24 O THR A 11 -1.027 -12.475 -9.672 1.00 0.00 O ATOM 25 CB THR A 11 0.617 -15.168 -9.205 1.00 0.00 C ATOM 26 OG1 THR A 11 1.054 -14.350 -8.128 1.00 0.00 O ATOM 27 CG2 THR A 11 1.698 -16.205 -9.526 1.00 0.00 C ATOM 0 H THR A 11 1.365 -12.501 -10.002 1.00 0.00 H new ATOM 0 HA THR A 11 0.299 -14.914 -11.324 1.00 0.00 H new ATOM 0 HB THR A 11 -0.302 -15.684 -8.929 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.223 -14.908 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.880 -16.825 -8.648 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.365 -16.834 -10.352 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.619 -15.695 -9.807 1.00 0.00 H new ATOM 35 N MET A 12 -2.047 -14.155 -10.769 1.00 0.00 N ATOM 36 CA MET A 12 -3.372 -13.554 -10.662 1.00 0.00 C ATOM 37 C MET A 12 -3.729 -13.299 -9.202 1.00 0.00 C ATOM 38 O MET A 12 -4.548 -12.433 -8.895 1.00 0.00 O ATOM 39 CB MET A 12 -4.418 -14.477 -11.289 1.00 0.00 C ATOM 40 CG MET A 12 -3.892 -15.031 -12.614 1.00 0.00 C ATOM 41 SD MET A 12 -5.269 -15.721 -13.565 1.00 0.00 S ATOM 42 CE MET A 12 -5.772 -16.974 -12.359 1.00 0.00 C ATOM 0 H MET A 12 -2.025 -15.050 -11.258 1.00 0.00 H new ATOM 0 HA MET A 12 -3.361 -12.603 -11.194 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.649 -15.296 -10.608 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.346 -13.930 -11.456 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.403 -14.240 -13.183 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.143 -15.800 -12.428 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.155 -17.850 -12.883 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.913 -17.261 -11.753 1.00 0.00 H new ATOM 0 HE3 MET A 12 -6.551 -16.567 -11.715 1.00 0.00 H new ATOM 52 N LYS A 13 -3.116 -14.066 -8.307 1.00 0.00 N ATOM 53 CA LYS A 13 -3.382 -13.922 -6.882 1.00 0.00 C ATOM 54 C LYS A 13 -2.771 -12.636 -6.343 1.00 0.00 C ATOM 55 O LYS A 13 -3.388 -11.942 -5.534 1.00 0.00 O ATOM 56 CB LYS A 13 -2.806 -15.123 -6.121 1.00 0.00 C ATOM 57 CG LYS A 13 -3.681 -16.355 -6.364 1.00 0.00 C ATOM 58 CD LYS A 13 -2.957 -17.603 -5.859 1.00 0.00 C ATOM 59 CE LYS A 13 -3.906 -18.801 -5.909 1.00 0.00 C ATOM 60 NZ LYS A 13 -4.899 -18.697 -4.803 1.00 0.00 N ATOM 0 H LYS A 13 -2.436 -14.789 -8.542 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.462 -13.880 -6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.786 -15.319 -6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.760 -14.902 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.636 -16.243 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.901 -16.454 -7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.076 -17.798 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.607 -17.445 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.419 -18.832 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.342 -19.729 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.362 -19.618 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.414 -18.417 -3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.615 -17.983 -5.045 1.00 0.00 H new ATOM 74 N ASP A 14 -1.553 -12.324 -6.777 1.00 0.00 N ATOM 75 CA ASP A 14 -0.879 -11.122 -6.307 1.00 0.00 C ATOM 76 C ASP A 14 -1.599 -9.871 -6.783 1.00 0.00 C ATOM 77 O ASP A 14 -1.688 -8.882 -6.056 1.00 0.00 O ATOM 78 CB ASP A 14 0.569 -11.100 -6.803 1.00 0.00 C ATOM 79 CG ASP A 14 1.316 -9.928 -6.179 1.00 0.00 C ATOM 80 OD1 ASP A 14 0.674 -9.121 -5.527 1.00 0.00 O ATOM 81 OD2 ASP A 14 2.521 -9.853 -6.361 1.00 0.00 O ATOM 0 H ASP A 14 -1.020 -12.880 -7.445 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.890 -11.136 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.064 -12.036 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.589 -11.017 -7.890 1.00 0.00 H new ATOM 86 N VAL A 15 -2.110 -9.916 -8.004 1.00 0.00 N ATOM 87 CA VAL A 15 -2.816 -8.770 -8.556 1.00 0.00 C ATOM 88 C VAL A 15 -4.118 -8.531 -7.800 1.00 0.00 C ATOM 89 O VAL A 15 -4.553 -7.391 -7.644 1.00 0.00 O ATOM 90 CB VAL A 15 -3.099 -9.001 -10.044 1.00 0.00 C ATOM 91 CG1 VAL A 15 -3.992 -7.881 -10.586 1.00 0.00 C ATOM 92 CG2 VAL A 15 -1.775 -9.017 -10.817 1.00 0.00 C ATOM 0 H VAL A 15 -2.051 -10.723 -8.625 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.189 -7.885 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.609 -9.956 -10.168 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.189 -8.052 -11.644 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.935 -7.870 -10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.489 -6.922 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.974 -9.181 -11.876 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.266 -8.062 -10.687 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.142 -9.819 -10.438 1.00 0.00 H new ATOM 102 N ALA A 16 -4.734 -9.607 -7.323 1.00 0.00 N ATOM 103 CA ALA A 16 -5.979 -9.478 -6.578 1.00 0.00 C ATOM 104 C ALA A 16 -5.801 -8.475 -5.444 1.00 0.00 C ATOM 105 O ALA A 16 -6.636 -7.594 -5.244 1.00 0.00 O ATOM 106 CB ALA A 16 -6.398 -10.834 -6.006 1.00 0.00 C ATOM 0 H ALA A 16 -4.398 -10.563 -7.436 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.757 -9.125 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.330 -10.723 -5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.543 -11.543 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.620 -11.203 -5.338 1.00 0.00 H new ATOM 112 N LEU A 17 -4.702 -8.613 -4.707 1.00 0.00 N ATOM 113 CA LEU A 17 -4.428 -7.706 -3.597 1.00 0.00 C ATOM 114 C LEU A 17 -4.308 -6.271 -4.112 1.00 0.00 C ATOM 115 O LEU A 17 -4.679 -5.321 -3.421 1.00 0.00 O ATOM 116 CB LEU A 17 -3.130 -8.118 -2.872 1.00 0.00 C ATOM 117 CG LEU A 17 -3.422 -9.235 -1.842 1.00 0.00 C ATOM 118 CD1 LEU A 17 -2.143 -10.039 -1.568 1.00 0.00 C ATOM 119 CD2 LEU A 17 -3.912 -8.618 -0.518 1.00 0.00 C ATOM 0 H LEU A 17 -3.996 -9.334 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.255 -7.762 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.395 -8.466 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.697 -7.254 -2.369 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.192 -9.890 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.355 -10.824 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.790 -10.489 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.374 -9.376 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.115 -9.412 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.144 -7.955 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.824 -8.049 -0.697 1.00 0.00 H new ATOM 131 N LYS A 18 -3.795 -6.121 -5.329 1.00 0.00 N ATOM 132 CA LYS A 18 -3.642 -4.797 -5.921 1.00 0.00 C ATOM 133 C LYS A 18 -5.005 -4.142 -6.113 1.00 0.00 C ATOM 134 O LYS A 18 -5.142 -2.924 -5.994 1.00 0.00 O ATOM 135 CB LYS A 18 -2.925 -4.901 -7.270 1.00 0.00 C ATOM 136 CG LYS A 18 -2.417 -3.517 -7.691 1.00 0.00 C ATOM 137 CD LYS A 18 -2.051 -3.533 -9.177 1.00 0.00 C ATOM 138 CE LYS A 18 -0.892 -4.506 -9.410 1.00 0.00 C ATOM 139 NZ LYS A 18 -0.287 -4.244 -10.748 1.00 0.00 N ATOM 0 H LYS A 18 -3.481 -6.891 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.046 -4.183 -5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.091 -5.599 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.605 -5.295 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.183 -2.765 -7.503 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.547 -3.241 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.915 -3.831 -9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.770 -2.532 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.141 -4.388 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.249 -5.534 -9.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.501 -4.904 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.007 -4.378 -11.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.068 -3.267 -10.783 1.00 0.00 H new ATOM 153 N ALA A 19 -6.015 -4.962 -6.406 1.00 0.00 N ATOM 154 CA ALA A 19 -7.379 -4.465 -6.607 1.00 0.00 C ATOM 155 C ALA A 19 -8.238 -4.753 -5.373 1.00 0.00 C ATOM 156 O ALA A 19 -9.448 -4.535 -5.383 1.00 0.00 O ATOM 157 CB ALA A 19 -7.996 -5.135 -7.840 1.00 0.00 C ATOM 0 H ALA A 19 -5.916 -5.972 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.342 -3.387 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.010 -4.763 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.394 -4.904 -8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.023 -6.215 -7.692 1.00 0.00 H new ATOM 163 N LYS A 20 -7.596 -5.242 -4.315 1.00 0.00 N ATOM 164 CA LYS A 20 -8.302 -5.555 -3.073 1.00 0.00 C ATOM 165 C LYS A 20 -9.619 -6.260 -3.368 1.00 0.00 C ATOM 166 O LYS A 20 -10.670 -5.885 -2.847 1.00 0.00 O ATOM 167 CB LYS A 20 -8.578 -4.270 -2.293 1.00 0.00 C ATOM 168 CG LYS A 20 -7.260 -3.717 -1.721 1.00 0.00 C ATOM 169 CD LYS A 20 -7.421 -2.228 -1.408 1.00 0.00 C ATOM 170 CE LYS A 20 -8.459 -2.043 -0.298 1.00 0.00 C ATOM 171 NZ LYS A 20 -9.827 -2.222 -0.863 1.00 0.00 N ATOM 0 H LYS A 20 -6.594 -5.430 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.673 -6.217 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.042 -3.530 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.282 -4.468 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.987 -4.262 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.451 -3.863 -2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.465 -1.806 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.732 -1.690 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.286 -2.765 0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.363 -1.051 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.462 -1.498 -0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.790 -2.127 -1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.184 -3.167 -0.615 1.00 0.00 H new ATOM 185 N VAL A 21 -9.550 -7.281 -4.207 1.00 0.00 N ATOM 186 CA VAL A 21 -10.741 -8.040 -4.572 1.00 0.00 C ATOM 187 C VAL A 21 -11.202 -8.913 -3.408 1.00 0.00 C ATOM 188 O VAL A 21 -12.116 -8.547 -2.670 1.00 0.00 O ATOM 189 CB VAL A 21 -10.449 -8.913 -5.795 1.00 0.00 C ATOM 190 CG1 VAL A 21 -11.758 -9.486 -6.340 1.00 0.00 C ATOM 191 CG2 VAL A 21 -9.780 -8.060 -6.877 1.00 0.00 C ATOM 0 H VAL A 21 -8.688 -7.604 -4.647 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.538 -7.337 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.787 -9.730 -5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.549 -10.107 -7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.239 -10.090 -5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.421 -8.670 -6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.570 -8.678 -7.750 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.446 -7.245 -7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.847 -7.649 -6.491 1.00 0.00 H new ATOM 201 N SER A 22 -10.566 -10.067 -3.254 1.00 0.00 N ATOM 202 CA SER A 22 -10.911 -10.994 -2.182 1.00 0.00 C ATOM 203 C SER A 22 -10.231 -12.342 -2.419 1.00 0.00 C ATOM 204 O SER A 22 -10.277 -12.886 -3.522 1.00 0.00 O ATOM 205 CB SER A 22 -12.436 -11.170 -2.111 1.00 0.00 C ATOM 206 OG SER A 22 -12.976 -10.197 -1.224 1.00 0.00 O ATOM 0 H SER A 22 -9.808 -10.384 -3.858 1.00 0.00 H new ATOM 0 HA SER A 22 -10.561 -10.588 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.874 -11.059 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.683 -12.173 -1.764 1.00 0.00 H new ATOM 0 HG SER A 22 -12.933 -9.312 -1.643 1.00 0.00 H new ATOM 212 N THR A 23 -9.590 -12.867 -1.382 1.00 0.00 N ATOM 213 CA THR A 23 -8.895 -14.144 -1.493 1.00 0.00 C ATOM 214 C THR A 23 -9.844 -15.245 -1.970 1.00 0.00 C ATOM 215 O THR A 23 -9.416 -16.200 -2.617 1.00 0.00 O ATOM 216 CB THR A 23 -8.292 -14.532 -0.132 1.00 0.00 C ATOM 217 OG1 THR A 23 -9.220 -14.223 0.897 1.00 0.00 O ATOM 218 CG2 THR A 23 -6.989 -13.758 0.107 1.00 0.00 C ATOM 0 H THR A 23 -9.537 -12.432 -0.461 1.00 0.00 H new ATOM 0 HA THR A 23 -8.097 -14.035 -2.228 1.00 0.00 H new ATOM 0 HB THR A 23 -8.077 -15.601 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.840 -14.471 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.570 -14.040 1.073 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.275 -13.996 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.195 -12.688 0.099 1.00 0.00 H new ATOM 226 N ALA A 24 -11.129 -15.107 -1.651 1.00 0.00 N ATOM 227 CA ALA A 24 -12.117 -16.102 -2.062 1.00 0.00 C ATOM 228 C ALA A 24 -12.524 -15.905 -3.520 1.00 0.00 C ATOM 229 O ALA A 24 -12.699 -16.870 -4.261 1.00 0.00 O ATOM 230 CB ALA A 24 -13.354 -16.001 -1.169 1.00 0.00 C ATOM 0 H ALA A 24 -11.508 -14.326 -1.116 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.667 -17.089 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.088 -16.745 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.070 -16.182 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.787 -15.005 -1.258 1.00 0.00 H new ATOM 236 N THR A 25 -12.691 -14.648 -3.917 1.00 0.00 N ATOM 237 CA THR A 25 -13.103 -14.348 -5.285 1.00 0.00 C ATOM 238 C THR A 25 -12.113 -14.949 -6.276 1.00 0.00 C ATOM 239 O THR A 25 -12.467 -15.832 -7.057 1.00 0.00 O ATOM 240 CB THR A 25 -13.188 -12.832 -5.494 1.00 0.00 C ATOM 241 OG1 THR A 25 -12.031 -12.215 -4.949 1.00 0.00 O ATOM 242 CG2 THR A 25 -14.436 -12.285 -4.795 1.00 0.00 C ATOM 0 H THR A 25 -12.550 -13.831 -3.322 1.00 0.00 H new ATOM 0 HA THR A 25 -14.087 -14.785 -5.454 1.00 0.00 H new ATOM 0 HB THR A 25 -13.248 -12.616 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.587 -12.837 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.494 -11.207 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.324 -12.758 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.379 -12.500 -3.728 1.00 0.00 H new ATOM 250 N VAL A 26 -10.880 -14.467 -6.245 1.00 0.00 N ATOM 251 CA VAL A 26 -9.856 -14.967 -7.153 1.00 0.00 C ATOM 252 C VAL A 26 -9.794 -16.495 -7.117 1.00 0.00 C ATOM 253 O VAL A 26 -9.468 -17.135 -8.116 1.00 0.00 O ATOM 254 CB VAL A 26 -8.494 -14.370 -6.773 1.00 0.00 C ATOM 255 CG1 VAL A 26 -7.939 -15.064 -5.523 1.00 0.00 C ATOM 256 CG2 VAL A 26 -7.512 -14.554 -7.933 1.00 0.00 C ATOM 0 H VAL A 26 -10.565 -13.736 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.112 -14.664 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.622 -13.308 -6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.973 -14.631 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.632 -14.927 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.818 -16.129 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.545 -14.130 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.395 -15.617 -8.146 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.896 -14.047 -8.818 1.00 0.00 H new ATOM 266 N SER A 27 -10.104 -17.069 -5.959 1.00 0.00 N ATOM 267 CA SER A 27 -10.074 -18.520 -5.804 1.00 0.00 C ATOM 268 C SER A 27 -11.254 -19.168 -6.524 1.00 0.00 C ATOM 269 O SER A 27 -11.162 -20.305 -6.985 1.00 0.00 O ATOM 270 CB SER A 27 -10.115 -18.887 -4.320 1.00 0.00 C ATOM 271 OG SER A 27 -8.880 -18.534 -3.714 1.00 0.00 O ATOM 0 H SER A 27 -10.377 -16.557 -5.120 1.00 0.00 H new ATOM 0 HA SER A 27 -9.150 -18.892 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.936 -18.367 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.298 -19.955 -4.203 1.00 0.00 H new ATOM 0 HG SER A 27 -8.935 -17.619 -3.368 1.00 0.00 H new ATOM 277 N ARG A 28 -12.361 -18.438 -6.616 1.00 0.00 N ATOM 278 CA ARG A 28 -13.553 -18.954 -7.282 1.00 0.00 C ATOM 279 C ARG A 28 -13.401 -18.866 -8.794 1.00 0.00 C ATOM 280 O ARG A 28 -14.102 -19.547 -9.541 1.00 0.00 O ATOM 281 CB ARG A 28 -14.783 -18.157 -6.845 1.00 0.00 C ATOM 282 CG ARG A 28 -15.146 -18.532 -5.408 1.00 0.00 C ATOM 283 CD ARG A 28 -16.132 -17.509 -4.843 1.00 0.00 C ATOM 284 NE ARG A 28 -17.382 -17.551 -5.593 1.00 0.00 N ATOM 285 CZ ARG A 28 -18.211 -18.586 -5.490 1.00 0.00 C ATOM 286 NH1 ARG A 28 -17.913 -19.586 -4.706 1.00 0.00 N ATOM 287 NH2 ARG A 28 -19.324 -18.602 -6.174 1.00 0.00 N ATOM 0 H ARG A 28 -12.458 -17.494 -6.241 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.679 -19.999 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.581 -17.088 -6.914 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.621 -18.366 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.586 -19.529 -5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.247 -18.564 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.323 -17.719 -3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.701 -16.509 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.625 -16.773 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.044 -19.574 -4.172 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.549 -20.379 -4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -19.557 -17.821 -6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.960 -19.396 -6.095 1.00 0.00 H new ATOM 301 N ALA A 29 -12.479 -18.023 -9.236 1.00 0.00 N ATOM 302 CA ALA A 29 -12.234 -17.845 -10.662 1.00 0.00 C ATOM 303 C ALA A 29 -12.087 -19.193 -11.357 1.00 0.00 C ATOM 304 O ALA A 29 -12.248 -19.295 -12.574 1.00 0.00 O ATOM 305 CB ALA A 29 -10.965 -17.017 -10.879 1.00 0.00 C ATOM 0 H ALA A 29 -11.889 -17.452 -8.630 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.088 -17.320 -11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.792 -16.890 -11.948 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.084 -16.039 -10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.114 -17.531 -10.432 1.00 0.00 H new ATOM 311 N LEU A 30 -11.781 -20.229 -10.578 1.00 0.00 N ATOM 312 CA LEU A 30 -11.614 -21.578 -11.124 1.00 0.00 C ATOM 313 C LEU A 30 -12.841 -22.435 -10.810 1.00 0.00 C ATOM 314 O LEU A 30 -13.137 -23.394 -11.522 1.00 0.00 O ATOM 315 CB LEU A 30 -10.359 -22.234 -10.519 1.00 0.00 C ATOM 316 CG LEU A 30 -9.101 -21.760 -11.259 1.00 0.00 C ATOM 317 CD1 LEU A 30 -9.042 -20.227 -11.270 1.00 0.00 C ATOM 318 CD2 LEU A 30 -7.862 -22.318 -10.550 1.00 0.00 C ATOM 0 H LEU A 30 -11.644 -20.162 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.501 -21.505 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.283 -21.983 -9.461 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.440 -23.319 -10.584 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.131 -22.118 -12.288 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.146 -19.901 -11.797 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.924 -19.833 -11.775 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.015 -19.857 -10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.964 -21.985 -11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.839 -21.959 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.901 -23.407 -10.553 1.00 0.00 H new ATOM 330 N MET A 31 -13.543 -22.092 -9.729 1.00 0.00 N ATOM 331 CA MET A 31 -14.729 -22.847 -9.316 1.00 0.00 C ATOM 332 C MET A 31 -16.012 -22.207 -9.845 1.00 0.00 C ATOM 333 O MET A 31 -16.791 -22.857 -10.539 1.00 0.00 O ATOM 334 CB MET A 31 -14.795 -22.916 -7.789 1.00 0.00 C ATOM 335 CG MET A 31 -13.489 -23.500 -7.243 1.00 0.00 C ATOM 336 SD MET A 31 -13.385 -25.253 -7.682 1.00 0.00 S ATOM 337 CE MET A 31 -14.192 -25.906 -6.201 1.00 0.00 C ATOM 0 H MET A 31 -13.314 -21.302 -9.126 1.00 0.00 H new ATOM 0 HA MET A 31 -14.646 -23.850 -9.734 1.00 0.00 H new ATOM 0 HB2 MET A 31 -14.960 -21.920 -7.377 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.638 -23.533 -7.479 1.00 0.00 H new ATOM 0 HG2 MET A 31 -12.636 -22.960 -7.654 1.00 0.00 H new ATOM 0 HG3 MET A 31 -13.450 -23.382 -6.160 1.00 0.00 H new ATOM 0 HE1 MET A 31 -14.237 -26.993 -6.261 1.00 0.00 H new ATOM 0 HE2 MET A 31 -13.623 -25.614 -5.318 1.00 0.00 H new ATOM 0 HE3 MET A 31 -15.203 -25.504 -6.130 1.00 0.00 H new ATOM 347 N ASN A 32 -16.223 -20.935 -9.511 1.00 0.00 N ATOM 348 CA ASN A 32 -17.421 -20.220 -9.954 1.00 0.00 C ATOM 349 C ASN A 32 -17.386 -18.765 -9.450 1.00 0.00 C ATOM 350 O ASN A 32 -17.816 -18.495 -8.329 1.00 0.00 O ATOM 351 CB ASN A 32 -18.681 -20.927 -9.399 1.00 0.00 C ATOM 352 CG ASN A 32 -19.217 -21.953 -10.400 1.00 0.00 C ATOM 353 OD1 ASN A 32 -19.232 -23.150 -10.113 1.00 0.00 O ATOM 354 ND2 ASN A 32 -19.660 -21.550 -11.559 1.00 0.00 N ATOM 0 H ASN A 32 -15.586 -20.381 -8.939 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.451 -20.219 -11.044 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.440 -21.422 -8.458 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -19.452 -20.188 -9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.020 -22.228 -12.231 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.646 -20.557 -11.793 1.00 0.00 H new ATOM 361 N PRO A 33 -16.894 -17.830 -10.234 1.00 0.00 N ATOM 362 CA PRO A 33 -16.831 -16.400 -9.813 1.00 0.00 C ATOM 363 C PRO A 33 -18.166 -15.683 -10.010 1.00 0.00 C ATOM 364 O PRO A 33 -18.399 -15.056 -11.043 1.00 0.00 O ATOM 365 CB PRO A 33 -15.743 -15.819 -10.719 1.00 0.00 C ATOM 366 CG PRO A 33 -15.840 -16.612 -11.987 1.00 0.00 C ATOM 367 CD PRO A 33 -16.347 -18.011 -11.595 1.00 0.00 C ATOM 0 HA PRO A 33 -16.614 -16.284 -8.751 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.906 -14.757 -10.903 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.757 -15.916 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -16.523 -16.136 -12.690 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.869 -16.676 -12.479 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.110 -18.366 -12.287 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.541 -18.744 -11.606 1.00 0.00 H new ATOM 375 N ASP A 34 -19.039 -15.782 -9.006 1.00 0.00 N ATOM 376 CA ASP A 34 -20.358 -15.141 -9.064 1.00 0.00 C ATOM 377 C ASP A 34 -20.459 -14.023 -8.029 1.00 0.00 C ATOM 378 O ASP A 34 -21.342 -13.170 -8.111 1.00 0.00 O ATOM 379 CB ASP A 34 -21.447 -16.181 -8.797 1.00 0.00 C ATOM 380 CG ASP A 34 -21.423 -17.252 -9.882 1.00 0.00 C ATOM 381 OD1 ASP A 34 -21.360 -16.889 -11.044 1.00 0.00 O ATOM 382 OD2 ASP A 34 -21.467 -18.421 -9.533 1.00 0.00 O ATOM 0 H ASP A 34 -18.859 -16.298 -8.145 1.00 0.00 H new ATOM 0 HA ASP A 34 -20.492 -14.713 -10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -21.293 -16.638 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -22.424 -15.698 -8.772 1.00 0.00 H new ATOM 387 N LYS A 35 -19.553 -14.035 -7.056 1.00 0.00 N ATOM 388 CA LYS A 35 -19.554 -13.018 -6.006 1.00 0.00 C ATOM 389 C LYS A 35 -18.840 -11.757 -6.487 1.00 0.00 C ATOM 390 O LYS A 35 -18.967 -10.692 -5.881 1.00 0.00 O ATOM 391 CB LYS A 35 -18.858 -13.559 -4.750 1.00 0.00 C ATOM 392 CG LYS A 35 -19.795 -14.519 -4.006 1.00 0.00 C ATOM 393 CD LYS A 35 -20.310 -15.592 -4.970 1.00 0.00 C ATOM 394 CE LYS A 35 -20.884 -16.766 -4.171 1.00 0.00 C ATOM 395 NZ LYS A 35 -21.708 -17.624 -5.070 1.00 0.00 N ATOM 0 H LYS A 35 -18.813 -14.732 -6.971 1.00 0.00 H new ATOM 0 HA LYS A 35 -20.587 -12.769 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.939 -14.076 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.575 -12.734 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.267 -14.987 -3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.633 -13.967 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.077 -15.173 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.500 -15.937 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.076 -17.351 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.493 -16.395 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.517 -18.626 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.716 -17.425 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.467 -17.421 -6.061 1.00 0.00 H new ATOM 409 N VAL A 36 -18.087 -11.881 -7.575 1.00 0.00 N ATOM 410 CA VAL A 36 -17.359 -10.743 -8.121 1.00 0.00 C ATOM 411 C VAL A 36 -18.325 -9.753 -8.769 1.00 0.00 C ATOM 412 O VAL A 36 -19.138 -10.129 -9.614 1.00 0.00 O ATOM 413 CB VAL A 36 -16.339 -11.217 -9.160 1.00 0.00 C ATOM 414 CG1 VAL A 36 -15.304 -10.117 -9.410 1.00 0.00 C ATOM 415 CG2 VAL A 36 -15.633 -12.472 -8.642 1.00 0.00 C ATOM 0 H VAL A 36 -17.966 -12.752 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.836 -10.246 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.854 -11.444 -10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.581 -10.459 -10.150 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.806 -9.223 -9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.788 -9.885 -8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -14.906 -12.811 -9.380 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.121 -12.242 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.368 -13.258 -8.469 1.00 0.00 H new ATOM 425 N SER A 37 -18.229 -8.492 -8.368 1.00 0.00 N ATOM 426 CA SER A 37 -19.098 -7.460 -8.915 1.00 0.00 C ATOM 427 C SER A 37 -18.840 -7.282 -10.406 1.00 0.00 C ATOM 428 O SER A 37 -17.720 -7.468 -10.879 1.00 0.00 O ATOM 429 CB SER A 37 -18.866 -6.132 -8.191 1.00 0.00 C ATOM 430 OG SER A 37 -19.907 -5.227 -8.529 1.00 0.00 O ATOM 0 H SER A 37 -17.562 -8.161 -7.670 1.00 0.00 H new ATOM 0 HA SER A 37 -20.132 -7.771 -8.769 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.842 -6.291 -7.113 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.899 -5.715 -8.473 1.00 0.00 H new ATOM 0 HG SER A 37 -19.763 -4.375 -8.066 1.00 0.00 H new ATOM 436 N GLN A 38 -19.889 -6.934 -11.140 1.00 0.00 N ATOM 437 CA GLN A 38 -19.774 -6.745 -12.580 1.00 0.00 C ATOM 438 C GLN A 38 -18.562 -5.888 -12.919 1.00 0.00 C ATOM 439 O GLN A 38 -17.717 -6.284 -13.722 1.00 0.00 O ATOM 440 CB GLN A 38 -21.041 -6.079 -13.124 1.00 0.00 C ATOM 441 CG GLN A 38 -22.199 -7.080 -13.103 1.00 0.00 C ATOM 442 CD GLN A 38 -22.426 -7.586 -11.684 1.00 0.00 C ATOM 443 OE1 GLN A 38 -21.789 -8.550 -11.258 1.00 0.00 O ATOM 444 NE2 GLN A 38 -23.303 -6.992 -10.922 1.00 0.00 N ATOM 0 H GLN A 38 -20.824 -6.778 -10.764 1.00 0.00 H new ATOM 0 HA GLN A 38 -19.650 -7.724 -13.043 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -21.292 -5.206 -12.522 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -20.870 -5.727 -14.141 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -23.106 -6.607 -13.478 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -21.979 -7.917 -13.765 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -23.829 -6.194 -11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -23.462 -7.326 -9.971 1.00 0.00 H new ATOM 453 N ALA A 39 -18.477 -4.713 -12.308 1.00 0.00 N ATOM 454 CA ALA A 39 -17.352 -3.828 -12.574 1.00 0.00 C ATOM 455 C ALA A 39 -16.048 -4.518 -12.191 1.00 0.00 C ATOM 456 O ALA A 39 -15.117 -4.596 -12.992 1.00 0.00 O ATOM 457 CB ALA A 39 -17.501 -2.526 -11.774 1.00 0.00 C ATOM 0 H ALA A 39 -19.159 -4.356 -11.638 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.336 -3.591 -13.638 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.654 -1.873 -11.981 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.425 -2.025 -12.063 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.530 -2.755 -10.709 1.00 0.00 H new ATOM 463 N THR A 40 -15.990 -5.015 -10.960 1.00 0.00 N ATOM 464 CA THR A 40 -14.796 -5.692 -10.473 1.00 0.00 C ATOM 465 C THR A 40 -14.486 -6.915 -11.329 1.00 0.00 C ATOM 466 O THR A 40 -13.336 -7.343 -11.423 1.00 0.00 O ATOM 467 CB THR A 40 -15.004 -6.123 -9.020 1.00 0.00 C ATOM 468 OG1 THR A 40 -15.209 -4.973 -8.212 1.00 0.00 O ATOM 469 CG2 THR A 40 -13.772 -6.884 -8.522 1.00 0.00 C ATOM 0 H THR A 40 -16.753 -4.962 -10.285 1.00 0.00 H new ATOM 0 HA THR A 40 -13.956 -5.001 -10.533 1.00 0.00 H new ATOM 0 HB THR A 40 -15.876 -6.774 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 40 -15.344 -5.247 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.926 -7.188 -7.487 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.616 -7.768 -9.141 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.896 -6.238 -8.584 1.00 0.00 H new ATOM 477 N ARG A 41 -15.521 -7.476 -11.946 1.00 0.00 N ATOM 478 CA ARG A 41 -15.347 -8.655 -12.785 1.00 0.00 C ATOM 479 C ARG A 41 -14.607 -8.298 -14.072 1.00 0.00 C ATOM 480 O ARG A 41 -13.770 -9.063 -14.549 1.00 0.00 O ATOM 481 CB ARG A 41 -16.708 -9.265 -13.128 1.00 0.00 C ATOM 482 CG ARG A 41 -16.505 -10.595 -13.858 1.00 0.00 C ATOM 483 CD ARG A 41 -17.835 -11.345 -13.935 1.00 0.00 C ATOM 484 NE ARG A 41 -17.743 -12.441 -14.892 1.00 0.00 N ATOM 485 CZ ARG A 41 -16.990 -13.509 -14.643 1.00 0.00 C ATOM 486 NH1 ARG A 41 -16.321 -13.589 -13.527 1.00 0.00 N ATOM 487 NH2 ARG A 41 -16.923 -14.476 -15.516 1.00 0.00 N ATOM 0 H ARG A 41 -16.481 -7.137 -11.882 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.755 -9.383 -12.230 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.287 -9.423 -12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.278 -8.578 -13.754 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.118 -10.416 -14.861 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.765 -11.200 -13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.099 -11.733 -12.951 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.630 -10.660 -14.231 1.00 0.00 H new ATOM 0 HE ARG A 41 -18.265 -12.388 -15.767 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.375 -12.833 -12.845 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.744 -14.408 -13.336 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.448 -14.413 -16.388 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.346 -15.295 -15.326 1.00 0.00 H new ATOM 501 N ASN A 42 -14.925 -7.135 -14.632 1.00 0.00 N ATOM 502 CA ASN A 42 -14.284 -6.694 -15.865 1.00 0.00 C ATOM 503 C ASN A 42 -12.800 -6.428 -15.633 1.00 0.00 C ATOM 504 O ASN A 42 -11.974 -6.652 -16.518 1.00 0.00 O ATOM 505 CB ASN A 42 -14.959 -5.423 -16.382 1.00 0.00 C ATOM 506 CG ASN A 42 -16.352 -5.750 -16.910 1.00 0.00 C ATOM 507 OD1 ASN A 42 -17.328 -5.100 -16.538 1.00 0.00 O ATOM 508 ND2 ASN A 42 -16.503 -6.727 -17.763 1.00 0.00 N ATOM 0 H ASN A 42 -15.616 -6.486 -14.255 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.387 -7.485 -16.607 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -15.028 -4.687 -15.581 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.356 -4.978 -17.174 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -17.431 -6.952 -18.122 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.693 -7.265 -18.071 1.00 0.00 H new ATOM 515 N ARG A 43 -12.470 -5.953 -14.437 1.00 0.00 N ATOM 516 CA ARG A 43 -11.083 -5.665 -14.097 1.00 0.00 C ATOM 517 C ARG A 43 -10.284 -6.959 -14.005 1.00 0.00 C ATOM 518 O ARG A 43 -9.140 -7.029 -14.454 1.00 0.00 O ATOM 519 CB ARG A 43 -11.014 -4.921 -12.761 1.00 0.00 C ATOM 520 CG ARG A 43 -11.652 -3.539 -12.912 1.00 0.00 C ATOM 521 CD ARG A 43 -11.365 -2.705 -11.662 1.00 0.00 C ATOM 522 NE ARG A 43 -11.977 -3.326 -10.493 1.00 0.00 N ATOM 523 CZ ARG A 43 -12.120 -2.654 -9.354 1.00 0.00 C ATOM 524 NH1 ARG A 43 -11.711 -1.417 -9.270 1.00 0.00 N ATOM 525 NH2 ARG A 43 -12.671 -3.230 -8.321 1.00 0.00 N ATOM 0 H ARG A 43 -13.139 -5.761 -13.692 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.655 -5.038 -14.879 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.532 -5.490 -11.989 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.977 -4.821 -12.442 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.255 -3.038 -13.795 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.728 -3.637 -13.057 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.289 -2.616 -11.514 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.754 -1.695 -11.792 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.301 -4.292 -10.550 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.282 -0.966 -10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.821 -0.902 -8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.992 -4.196 -8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.780 -2.714 -7.448 1.00 0.00 H new ATOM 539 N VAL A 44 -10.899 -7.982 -13.423 1.00 0.00 N ATOM 540 CA VAL A 44 -10.244 -9.274 -13.279 1.00 0.00 C ATOM 541 C VAL A 44 -9.878 -9.832 -14.653 1.00 0.00 C ATOM 542 O VAL A 44 -8.734 -10.216 -14.894 1.00 0.00 O ATOM 543 CB VAL A 44 -11.177 -10.245 -12.546 1.00 0.00 C ATOM 544 CG1 VAL A 44 -10.611 -11.667 -12.599 1.00 0.00 C ATOM 545 CG2 VAL A 44 -11.314 -9.811 -11.084 1.00 0.00 C ATOM 0 H VAL A 44 -11.846 -7.941 -13.045 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.330 -9.150 -12.698 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.153 -10.232 -13.031 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.283 -12.346 -12.075 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.515 -11.982 -13.638 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.631 -11.687 -12.122 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.977 -10.500 -10.561 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.333 -9.819 -10.609 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.729 -8.804 -11.041 1.00 0.00 H new ATOM 555 N GLU A 45 -10.860 -9.882 -15.546 1.00 0.00 N ATOM 556 CA GLU A 45 -10.629 -10.405 -16.891 1.00 0.00 C ATOM 557 C GLU A 45 -9.412 -9.736 -17.525 1.00 0.00 C ATOM 558 O GLU A 45 -8.583 -10.402 -18.143 1.00 0.00 O ATOM 559 CB GLU A 45 -11.861 -10.169 -17.772 1.00 0.00 C ATOM 560 CG GLU A 45 -11.590 -10.691 -19.186 1.00 0.00 C ATOM 561 CD GLU A 45 -12.881 -10.694 -19.996 1.00 0.00 C ATOM 562 OE1 GLU A 45 -13.935 -10.833 -19.396 1.00 0.00 O ATOM 563 OE2 GLU A 45 -12.799 -10.554 -21.206 1.00 0.00 O ATOM 0 H GLU A 45 -11.815 -9.571 -15.368 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.443 -11.476 -16.812 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.727 -10.676 -17.346 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.098 -9.106 -17.805 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.844 -10.066 -19.677 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.179 -11.699 -19.138 1.00 0.00 H new ATOM 570 N LYS A 46 -9.312 -8.419 -17.369 1.00 0.00 N ATOM 571 CA LYS A 46 -8.185 -7.680 -17.933 1.00 0.00 C ATOM 572 C LYS A 46 -6.894 -8.011 -17.186 1.00 0.00 C ATOM 573 O LYS A 46 -5.828 -8.128 -17.790 1.00 0.00 O ATOM 574 CB LYS A 46 -8.454 -6.174 -17.852 1.00 0.00 C ATOM 575 CG LYS A 46 -7.292 -5.405 -18.492 1.00 0.00 C ATOM 576 CD LYS A 46 -7.632 -3.914 -18.538 1.00 0.00 C ATOM 577 CE LYS A 46 -6.616 -3.187 -19.419 1.00 0.00 C ATOM 578 NZ LYS A 46 -5.261 -3.296 -18.810 1.00 0.00 N ATOM 0 H LYS A 46 -9.988 -7.847 -16.863 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.070 -7.973 -18.977 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.387 -5.934 -18.363 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.573 -5.872 -16.812 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.378 -5.563 -17.920 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.106 -5.778 -19.499 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.638 -3.771 -18.931 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.621 -3.496 -17.531 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.612 -3.619 -20.420 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.895 -2.139 -19.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.812 -2.358 -18.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.345 -3.658 -17.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.679 -3.948 -19.373 1.00 0.00 H new ATOM 592 N ALA A 47 -6.999 -8.155 -15.868 1.00 0.00 N ATOM 593 CA ALA A 47 -5.838 -8.469 -15.044 1.00 0.00 C ATOM 594 C ALA A 47 -5.184 -9.767 -15.507 1.00 0.00 C ATOM 595 O ALA A 47 -4.006 -10.003 -15.243 1.00 0.00 O ATOM 596 CB ALA A 47 -6.249 -8.596 -13.573 1.00 0.00 C ATOM 0 H ALA A 47 -7.873 -8.060 -15.350 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.119 -7.656 -15.147 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.372 -8.831 -12.969 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.682 -7.655 -13.234 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.985 -9.393 -13.468 1.00 0.00 H new ATOM 602 N ALA A 48 -5.950 -10.602 -16.199 1.00 0.00 N ATOM 603 CA ALA A 48 -5.426 -11.869 -16.696 1.00 0.00 C ATOM 604 C ALA A 48 -4.439 -11.631 -17.835 1.00 0.00 C ATOM 605 O ALA A 48 -3.359 -12.219 -17.871 1.00 0.00 O ATOM 606 CB ALA A 48 -6.573 -12.754 -17.188 1.00 0.00 C ATOM 0 H ALA A 48 -6.929 -10.427 -16.428 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.907 -12.370 -15.879 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.172 -13.698 -17.557 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.261 -12.949 -16.365 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.105 -12.246 -17.993 1.00 0.00 H new ATOM 612 N ARG A 49 -4.821 -10.766 -18.769 1.00 0.00 N ATOM 613 CA ARG A 49 -3.959 -10.456 -19.906 1.00 0.00 C ATOM 614 C ARG A 49 -2.827 -9.517 -19.493 1.00 0.00 C ATOM 615 O ARG A 49 -1.716 -9.599 -20.020 1.00 0.00 O ATOM 616 CB ARG A 49 -4.781 -9.805 -21.022 1.00 0.00 C ATOM 617 CG ARG A 49 -5.688 -10.853 -21.678 1.00 0.00 C ATOM 618 CD ARG A 49 -6.653 -10.158 -22.641 1.00 0.00 C ATOM 619 NE ARG A 49 -5.937 -9.178 -23.452 1.00 0.00 N ATOM 620 CZ ARG A 49 -5.073 -9.559 -24.386 1.00 0.00 C ATOM 621 NH1 ARG A 49 -4.851 -10.828 -24.593 1.00 0.00 N ATOM 622 NH2 ARG A 49 -4.444 -8.663 -25.099 1.00 0.00 N ATOM 0 H ARG A 49 -5.713 -10.271 -18.763 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.524 -11.388 -20.267 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.383 -8.992 -20.616 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.117 -9.368 -21.768 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.086 -11.586 -22.215 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.246 -11.396 -20.915 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.129 -10.896 -23.286 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.447 -9.666 -22.080 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.103 -8.183 -23.299 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.341 -11.529 -24.037 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.187 -11.119 -25.311 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.616 -7.671 -24.938 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.781 -8.956 -25.816 1.00 0.00 H new ATOM 636 N GLU A 50 -3.122 -8.615 -18.563 1.00 0.00 N ATOM 637 CA GLU A 50 -2.142 -7.648 -18.096 1.00 0.00 C ATOM 638 C GLU A 50 -1.073 -8.305 -17.224 1.00 0.00 C ATOM 639 O GLU A 50 0.104 -7.952 -17.305 1.00 0.00 O ATOM 640 CB GLU A 50 -2.856 -6.558 -17.298 1.00 0.00 C ATOM 641 CG GLU A 50 -1.906 -5.384 -17.072 1.00 0.00 C ATOM 642 CD GLU A 50 -1.717 -4.605 -18.369 1.00 0.00 C ATOM 643 OE1 GLU A 50 -2.626 -4.619 -19.184 1.00 0.00 O ATOM 644 OE2 GLU A 50 -0.667 -4.006 -18.530 1.00 0.00 O ATOM 0 H GLU A 50 -4.036 -8.536 -18.118 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.644 -7.218 -18.965 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.744 -6.223 -17.834 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.193 -6.956 -16.341 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.305 -4.727 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.943 -5.749 -16.714 1.00 0.00 H new ATOM 651 N VAL A 51 -1.481 -9.247 -16.380 1.00 0.00 N ATOM 652 CA VAL A 51 -0.533 -9.918 -15.493 1.00 0.00 C ATOM 653 C VAL A 51 0.315 -10.931 -16.263 1.00 0.00 C ATOM 654 O VAL A 51 1.421 -11.270 -15.846 1.00 0.00 O ATOM 655 CB VAL A 51 -1.285 -10.616 -14.350 1.00 0.00 C ATOM 656 CG1 VAL A 51 -1.958 -11.888 -14.864 1.00 0.00 C ATOM 657 CG2 VAL A 51 -0.302 -10.982 -13.235 1.00 0.00 C ATOM 0 H VAL A 51 -2.447 -9.561 -16.290 1.00 0.00 H new ATOM 0 HA VAL A 51 0.135 -9.165 -15.074 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.045 -9.938 -13.963 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.488 -12.375 -14.046 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.665 -11.632 -15.653 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.201 -12.565 -15.260 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.838 -11.477 -12.425 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.461 -11.653 -13.629 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.172 -10.077 -12.856 1.00 0.00 H new ATOM 667 N GLY A 52 -0.208 -11.403 -17.391 1.00 0.00 N ATOM 668 CA GLY A 52 0.515 -12.368 -18.213 1.00 0.00 C ATOM 669 C GLY A 52 0.336 -13.790 -17.689 1.00 0.00 C ATOM 670 O GLY A 52 1.292 -14.564 -17.639 1.00 0.00 O ATOM 0 H GLY A 52 -1.123 -11.136 -17.755 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.160 -12.310 -19.242 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.575 -12.114 -18.227 1.00 0.00 H new ATOM 674 N TYR A 53 -0.894 -14.135 -17.311 1.00 0.00 N ATOM 675 CA TYR A 53 -1.189 -15.476 -16.803 1.00 0.00 C ATOM 676 C TYR A 53 -1.685 -16.367 -17.937 1.00 0.00 C ATOM 677 O TYR A 53 -2.678 -16.054 -18.596 1.00 0.00 O ATOM 678 CB TYR A 53 -2.251 -15.409 -15.699 1.00 0.00 C ATOM 679 CG TYR A 53 -2.609 -16.812 -15.266 1.00 0.00 C ATOM 680 CD1 TYR A 53 -1.684 -17.573 -14.544 1.00 0.00 C ATOM 681 CD2 TYR A 53 -3.861 -17.352 -15.589 1.00 0.00 C ATOM 682 CE1 TYR A 53 -2.009 -18.873 -14.143 1.00 0.00 C ATOM 683 CE2 TYR A 53 -4.185 -18.654 -15.187 1.00 0.00 C ATOM 684 CZ TYR A 53 -3.260 -19.414 -14.465 1.00 0.00 C ATOM 685 OH TYR A 53 -3.578 -20.697 -14.070 1.00 0.00 O ATOM 0 H TYR A 53 -1.699 -13.509 -17.346 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.274 -15.897 -16.387 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.874 -14.839 -14.850 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.138 -14.891 -16.063 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.719 -17.157 -14.296 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.575 -16.765 -16.147 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.295 -19.460 -13.585 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.150 -19.071 -15.435 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.484 -20.918 -14.373 1.00 0.00 H new ATOM 695 N LEU A 54 -0.985 -17.479 -18.161 1.00 0.00 N ATOM 696 CA LEU A 54 -1.350 -18.422 -19.225 1.00 0.00 C ATOM 697 C LEU A 54 -1.792 -19.757 -18.616 1.00 0.00 C ATOM 698 O LEU A 54 -1.330 -20.127 -17.536 1.00 0.00 O ATOM 699 CB LEU A 54 -0.136 -18.649 -20.137 1.00 0.00 C ATOM 700 CG LEU A 54 0.116 -17.401 -21.017 1.00 0.00 C ATOM 701 CD1 LEU A 54 1.606 -17.300 -21.360 1.00 0.00 C ATOM 702 CD2 LEU A 54 -0.685 -17.498 -22.324 1.00 0.00 C ATOM 0 H LEU A 54 -0.163 -17.751 -17.622 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.175 -18.008 -19.805 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.746 -18.861 -19.533 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.306 -19.520 -20.770 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.200 -16.518 -20.461 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.778 -16.420 -21.980 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.186 -17.216 -20.441 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.915 -18.193 -21.904 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.497 -16.613 -22.932 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.378 -18.388 -22.874 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.749 -17.562 -22.095 1.00 0.00 H new ATOM 714 N PRO A 55 -2.665 -20.487 -19.273 1.00 0.00 N ATOM 715 CA PRO A 55 -3.151 -21.802 -18.755 1.00 0.00 C ATOM 716 C PRO A 55 -2.074 -22.883 -18.850 1.00 0.00 C ATOM 717 O PRO A 55 -1.546 -23.257 -17.816 1.00 0.00 O ATOM 718 CB PRO A 55 -4.348 -22.124 -19.664 1.00 0.00 C ATOM 719 CG PRO A 55 -4.042 -21.428 -20.952 1.00 0.00 C ATOM 720 CD PRO A 55 -3.288 -20.152 -20.570 1.00 0.00 C ATOM 0 HA PRO A 55 -3.416 -21.763 -17.698 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.457 -23.199 -19.810 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.282 -21.765 -19.232 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.437 -22.059 -21.603 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.957 -21.193 -21.496 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.539 -19.890 -21.318 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.962 -19.300 -20.482 1.00 0.00 H new TER 728 PRO A 55