USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 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 172:sc= 0 (180deg=-0.00735) USER MOD Single : A 13 LYS NZ :NH3+ -147:sc= -0.27 (180deg=-1.31!) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc=-0.00735 (180deg=-0.238) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 54:sc= 0.904 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0376 USER MOD Single : A 25 THR OG1 : rot -18:sc= -1.23 USER MOD Single : A 27 SER OG : rot 98:sc= 1.13 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.4! C(o=-2.4!,f=-2.4!) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -1.13 (180deg=-1.6) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -3.45! C(o=-3.5!,f=-3.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.025) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0913 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 9 7.686 -12.142 -13.880 1.00 0.00 N ATOM 2 CA ALA A 9 6.641 -13.205 -13.895 1.00 0.00 C ATOM 3 C ALA A 9 5.607 -12.911 -12.813 1.00 0.00 C ATOM 4 O ALA A 9 5.758 -13.330 -11.667 1.00 0.00 O ATOM 5 CB ALA A 9 7.295 -14.563 -13.637 1.00 0.00 C ATOM 0 HA ALA A 9 6.148 -13.224 -14.867 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.533 -15.342 -13.648 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.032 -14.766 -14.414 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.788 -14.551 -12.665 1.00 0.00 H new ATOM 11 N ALA A 10 4.554 -12.188 -13.186 1.00 0.00 N ATOM 12 CA ALA A 10 3.500 -11.843 -12.240 1.00 0.00 C ATOM 13 C ALA A 10 2.545 -13.018 -12.055 1.00 0.00 C ATOM 14 O ALA A 10 2.656 -14.033 -12.742 1.00 0.00 O ATOM 15 CB ALA A 10 2.725 -10.625 -12.744 1.00 0.00 C ATOM 0 H ALA A 10 4.409 -11.832 -14.131 1.00 0.00 H new ATOM 0 HA ALA A 10 3.959 -11.607 -11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.939 -10.373 -12.032 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.404 -9.779 -12.848 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.278 -10.853 -13.712 1.00 0.00 H new ATOM 21 N THR A 11 1.603 -12.872 -11.125 1.00 0.00 N ATOM 22 CA THR A 11 0.626 -13.924 -10.850 1.00 0.00 C ATOM 23 C THR A 11 -0.749 -13.311 -10.592 1.00 0.00 C ATOM 24 O THR A 11 -0.856 -12.225 -10.021 1.00 0.00 O ATOM 25 CB THR A 11 1.065 -14.732 -9.623 1.00 0.00 C ATOM 26 OG1 THR A 11 1.507 -13.841 -8.609 1.00 0.00 O ATOM 27 CG2 THR A 11 2.206 -15.682 -10.002 1.00 0.00 C ATOM 0 H THR A 11 1.496 -12.037 -10.550 1.00 0.00 H new ATOM 0 HA THR A 11 0.566 -14.583 -11.716 1.00 0.00 H new ATOM 0 HB THR A 11 0.222 -15.318 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.787 -14.354 -7.822 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.512 -16.252 -9.125 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.866 -16.367 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.053 -15.104 -10.372 1.00 0.00 H new ATOM 35 N MET A 12 -1.795 -14.012 -11.016 1.00 0.00 N ATOM 36 CA MET A 12 -3.156 -13.526 -10.824 1.00 0.00 C ATOM 37 C MET A 12 -3.456 -13.340 -9.340 1.00 0.00 C ATOM 38 O MET A 12 -4.313 -12.541 -8.966 1.00 0.00 O ATOM 39 CB MET A 12 -4.155 -14.513 -11.426 1.00 0.00 C ATOM 40 CG MET A 12 -5.531 -13.851 -11.527 1.00 0.00 C ATOM 41 SD MET A 12 -6.735 -15.050 -12.150 1.00 0.00 S ATOM 42 CE MET A 12 -8.220 -14.063 -11.838 1.00 0.00 C ATOM 0 H MET A 12 -1.728 -14.912 -11.491 1.00 0.00 H new ATOM 0 HA MET A 12 -3.249 -12.563 -11.326 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.819 -14.830 -12.413 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.215 -15.408 -10.807 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.842 -13.483 -10.549 1.00 0.00 H new ATOM 0 HG3 MET A 12 -5.483 -12.989 -12.192 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.085 -14.557 -12.281 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.371 -13.962 -10.763 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.100 -13.075 -12.282 1.00 0.00 H new ATOM 52 N LYS A 13 -2.741 -14.082 -8.502 1.00 0.00 N ATOM 53 CA LYS A 13 -2.939 -13.990 -7.063 1.00 0.00 C ATOM 54 C LYS A 13 -2.390 -12.670 -6.540 1.00 0.00 C ATOM 55 O LYS A 13 -3.050 -11.978 -5.765 1.00 0.00 O ATOM 56 CB LYS A 13 -2.235 -15.154 -6.364 1.00 0.00 C ATOM 57 CG LYS A 13 -2.718 -15.240 -4.911 1.00 0.00 C ATOM 58 CD LYS A 13 -1.799 -16.164 -4.097 1.00 0.00 C ATOM 59 CE LYS A 13 -2.052 -17.627 -4.476 1.00 0.00 C ATOM 60 NZ LYS A 13 -3.501 -17.942 -4.328 1.00 0.00 N ATOM 0 H LYS A 13 -2.025 -14.748 -8.792 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.008 -14.038 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.446 -16.088 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.155 -15.011 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.731 -14.245 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.741 -15.616 -4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.756 -15.907 -4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.978 -16.020 -3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.734 -17.807 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.460 -18.285 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.612 -18.933 -4.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.921 -17.317 -3.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.983 -17.796 -5.238 1.00 0.00 H new ATOM 74 N ASP A 14 -1.178 -12.325 -6.964 1.00 0.00 N ATOM 75 CA ASP A 14 -0.557 -11.084 -6.524 1.00 0.00 C ATOM 76 C ASP A 14 -1.386 -9.888 -6.970 1.00 0.00 C ATOM 77 O ASP A 14 -1.446 -8.869 -6.281 1.00 0.00 O ATOM 78 CB ASP A 14 0.859 -10.970 -7.097 1.00 0.00 C ATOM 79 CG ASP A 14 1.564 -9.756 -6.502 1.00 0.00 C ATOM 80 OD1 ASP A 14 1.891 -9.802 -5.329 1.00 0.00 O ATOM 81 OD2 ASP A 14 1.766 -8.798 -7.231 1.00 0.00 O ATOM 0 H ASP A 14 -0.613 -12.882 -7.605 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.504 -11.093 -5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.425 -11.875 -6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.815 -10.880 -8.182 1.00 0.00 H new ATOM 86 N VAL A 15 -2.023 -10.021 -8.127 1.00 0.00 N ATOM 87 CA VAL A 15 -2.848 -8.948 -8.662 1.00 0.00 C ATOM 88 C VAL A 15 -4.002 -8.633 -7.713 1.00 0.00 C ATOM 89 O VAL A 15 -4.283 -7.468 -7.429 1.00 0.00 O ATOM 90 CB VAL A 15 -3.390 -9.364 -10.035 1.00 0.00 C ATOM 91 CG1 VAL A 15 -4.473 -8.385 -10.501 1.00 0.00 C ATOM 92 CG2 VAL A 15 -2.248 -9.369 -11.052 1.00 0.00 C ATOM 0 H VAL A 15 -1.984 -10.857 -8.709 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.240 -8.049 -8.767 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.823 -10.361 -9.954 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.847 -8.694 -11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.293 -8.380 -9.783 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.050 -7.383 -10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.632 -9.665 -12.028 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.816 -8.371 -11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.481 -10.076 -10.735 1.00 0.00 H new ATOM 102 N ALA A 16 -4.669 -9.676 -7.232 1.00 0.00 N ATOM 103 CA ALA A 16 -5.794 -9.494 -6.320 1.00 0.00 C ATOM 104 C ALA A 16 -5.391 -8.612 -5.143 1.00 0.00 C ATOM 105 O ALA A 16 -6.180 -7.794 -4.667 1.00 0.00 O ATOM 106 CB ALA A 16 -6.277 -10.850 -5.801 1.00 0.00 C ATOM 0 H ALA A 16 -4.454 -10.648 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.602 -9.008 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.116 -10.702 -5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.594 -11.469 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.465 -11.347 -5.271 1.00 0.00 H new ATOM 112 N LEU A 17 -4.160 -8.784 -4.680 1.00 0.00 N ATOM 113 CA LEU A 17 -3.659 -7.998 -3.554 1.00 0.00 C ATOM 114 C LEU A 17 -3.623 -6.513 -3.926 1.00 0.00 C ATOM 115 O LEU A 17 -4.062 -5.656 -3.157 1.00 0.00 O ATOM 116 CB LEU A 17 -2.247 -8.484 -3.157 1.00 0.00 C ATOM 117 CG LEU A 17 -2.004 -8.284 -1.650 1.00 0.00 C ATOM 118 CD1 LEU A 17 -0.546 -8.629 -1.318 1.00 0.00 C ATOM 119 CD2 LEU A 17 -2.281 -6.821 -1.265 1.00 0.00 C ATOM 0 H LEU A 17 -3.492 -9.454 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.328 -8.130 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.135 -9.538 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.496 -7.937 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.674 -8.937 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.373 -8.488 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.348 -9.668 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.120 -7.977 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.107 -6.687 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.616 -6.165 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.317 -6.573 -1.498 1.00 0.00 H new ATOM 131 N LYS A 18 -3.097 -6.216 -5.109 1.00 0.00 N ATOM 132 CA LYS A 18 -3.004 -4.835 -5.573 1.00 0.00 C ATOM 133 C LYS A 18 -4.391 -4.244 -5.817 1.00 0.00 C ATOM 134 O LYS A 18 -4.612 -3.051 -5.604 1.00 0.00 O ATOM 135 CB LYS A 18 -2.190 -4.774 -6.865 1.00 0.00 C ATOM 136 CG LYS A 18 -2.095 -3.323 -7.345 1.00 0.00 C ATOM 137 CD LYS A 18 -1.086 -3.228 -8.492 1.00 0.00 C ATOM 138 CE LYS A 18 -1.047 -1.794 -9.019 1.00 0.00 C ATOM 139 NZ LYS A 18 -0.449 -0.900 -7.987 1.00 0.00 N ATOM 0 H LYS A 18 -2.730 -6.908 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.509 -4.250 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.192 -5.178 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.659 -5.391 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.073 -2.974 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.788 -2.676 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.097 -3.527 -8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.364 -3.914 -9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.462 -1.749 -9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.054 -1.459 -9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.188 0.008 -8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.141 -0.734 -7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.400 -1.349 -7.588 1.00 0.00 H new ATOM 153 N ALA A 19 -5.321 -5.083 -6.266 1.00 0.00 N ATOM 154 CA ALA A 19 -6.689 -4.634 -6.542 1.00 0.00 C ATOM 155 C ALA A 19 -7.582 -4.863 -5.320 1.00 0.00 C ATOM 156 O ALA A 19 -8.793 -4.650 -5.377 1.00 0.00 O ATOM 157 CB ALA A 19 -7.244 -5.391 -7.759 1.00 0.00 C ATOM 0 H ALA A 19 -5.157 -6.073 -6.447 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.676 -3.566 -6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.261 -5.056 -7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.616 -5.194 -8.628 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.249 -6.461 -7.551 1.00 0.00 H new ATOM 163 N LYS A 20 -6.973 -5.293 -4.218 1.00 0.00 N ATOM 164 CA LYS A 20 -7.715 -5.545 -2.983 1.00 0.00 C ATOM 165 C LYS A 20 -9.045 -6.235 -3.284 1.00 0.00 C ATOM 166 O LYS A 20 -10.089 -5.855 -2.757 1.00 0.00 O ATOM 167 CB LYS A 20 -7.973 -4.222 -2.251 1.00 0.00 C ATOM 168 CG LYS A 20 -8.333 -4.496 -0.782 1.00 0.00 C ATOM 169 CD LYS A 20 -8.972 -3.247 -0.169 1.00 0.00 C ATOM 170 CE LYS A 20 -7.954 -2.103 -0.161 1.00 0.00 C ATOM 171 NZ LYS A 20 -8.427 -1.026 0.754 1.00 0.00 N ATOM 0 H LYS A 20 -5.971 -5.474 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.118 -6.201 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.088 -3.588 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.784 -3.680 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.021 -5.339 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.439 -4.771 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.854 -2.959 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.306 -3.458 0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.981 -2.470 0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.826 -1.709 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.737 -0.248 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.347 -0.670 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.528 -1.407 1.716 1.00 0.00 H new ATOM 185 N VAL A 21 -8.990 -7.241 -4.145 1.00 0.00 N ATOM 186 CA VAL A 21 -10.192 -7.974 -4.528 1.00 0.00 C ATOM 187 C VAL A 21 -10.713 -8.806 -3.362 1.00 0.00 C ATOM 188 O VAL A 21 -11.672 -8.422 -2.693 1.00 0.00 O ATOM 189 CB VAL A 21 -9.895 -8.883 -5.722 1.00 0.00 C ATOM 190 CG1 VAL A 21 -11.204 -9.477 -6.237 1.00 0.00 C ATOM 191 CG2 VAL A 21 -9.237 -8.067 -6.834 1.00 0.00 C ATOM 0 H VAL A 21 -8.133 -7.568 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.958 -7.251 -4.808 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.223 -9.684 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.999 -10.126 -7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.677 -10.057 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.872 -8.673 -6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.026 -8.715 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.909 -7.268 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.306 -7.635 -6.466 1.00 0.00 H new ATOM 201 N SER A 22 -10.075 -9.945 -3.129 1.00 0.00 N ATOM 202 CA SER A 22 -10.475 -10.834 -2.040 1.00 0.00 C ATOM 203 C SER A 22 -9.820 -12.205 -2.212 1.00 0.00 C ATOM 204 O SER A 22 -9.765 -12.746 -3.316 1.00 0.00 O ATOM 205 CB SER A 22 -12.006 -10.973 -2.006 1.00 0.00 C ATOM 206 OG SER A 22 -12.545 -9.977 -1.147 1.00 0.00 O ATOM 0 H SER A 22 -9.281 -10.277 -3.676 1.00 0.00 H new ATOM 0 HA SER A 22 -10.143 -10.405 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.416 -10.865 -3.010 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.286 -11.966 -1.653 1.00 0.00 H new ATOM 0 HG SER A 22 -12.218 -9.095 -1.423 1.00 0.00 H new ATOM 212 N THR A 23 -9.318 -12.752 -1.110 1.00 0.00 N ATOM 213 CA THR A 23 -8.659 -14.054 -1.142 1.00 0.00 C ATOM 214 C THR A 23 -9.644 -15.157 -1.527 1.00 0.00 C ATOM 215 O THR A 23 -9.254 -16.170 -2.108 1.00 0.00 O ATOM 216 CB THR A 23 -8.046 -14.364 0.231 1.00 0.00 C ATOM 217 OG1 THR A 23 -8.972 -14.006 1.250 1.00 0.00 O ATOM 218 CG2 THR A 23 -6.751 -13.567 0.418 1.00 0.00 C ATOM 0 H THR A 23 -9.354 -12.317 -0.188 1.00 0.00 H new ATOM 0 HA THR A 23 -7.870 -14.018 -1.894 1.00 0.00 H new ATOM 0 HB THR A 23 -7.822 -15.429 0.292 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.585 -14.204 2.128 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.323 -13.793 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.040 -13.840 -0.362 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.968 -12.501 0.355 1.00 0.00 H new ATOM 226 N ALA A 24 -10.919 -14.957 -1.208 1.00 0.00 N ATOM 227 CA ALA A 24 -11.943 -15.944 -1.538 1.00 0.00 C ATOM 228 C ALA A 24 -12.342 -15.837 -3.007 1.00 0.00 C ATOM 229 O ALA A 24 -12.549 -16.843 -3.683 1.00 0.00 O ATOM 230 CB ALA A 24 -13.174 -15.732 -0.656 1.00 0.00 C ATOM 0 H ALA A 24 -11.266 -14.128 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.533 -16.938 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.934 -16.472 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.894 -15.841 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.573 -14.731 -0.822 1.00 0.00 H new ATOM 236 N THR A 25 -12.465 -14.605 -3.486 1.00 0.00 N ATOM 237 CA THR A 25 -12.860 -14.377 -4.871 1.00 0.00 C ATOM 238 C THR A 25 -11.889 -15.075 -5.816 1.00 0.00 C ATOM 239 O THR A 25 -12.272 -15.988 -6.548 1.00 0.00 O ATOM 240 CB THR A 25 -12.880 -12.878 -5.173 1.00 0.00 C ATOM 241 OG1 THR A 25 -11.678 -12.289 -4.696 1.00 0.00 O ATOM 242 CG2 THR A 25 -14.082 -12.231 -4.483 1.00 0.00 C ATOM 0 H THR A 25 -12.299 -13.757 -2.944 1.00 0.00 H new ATOM 0 HA THR A 25 -13.860 -14.786 -5.019 1.00 0.00 H new ATOM 0 HB THR A 25 -12.960 -12.722 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.255 -12.889 -4.046 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.094 -11.163 -4.700 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.001 -12.686 -4.851 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.008 -12.382 -3.406 1.00 0.00 H new ATOM 250 N VAL A 26 -10.638 -14.637 -5.805 1.00 0.00 N ATOM 251 CA VAL A 26 -9.627 -15.224 -6.673 1.00 0.00 C ATOM 252 C VAL A 26 -9.627 -16.748 -6.554 1.00 0.00 C ATOM 253 O VAL A 26 -9.248 -17.452 -7.492 1.00 0.00 O ATOM 254 CB VAL A 26 -8.246 -14.662 -6.308 1.00 0.00 C ATOM 255 CG1 VAL A 26 -7.740 -15.301 -5.008 1.00 0.00 C ATOM 256 CG2 VAL A 26 -7.258 -14.960 -7.439 1.00 0.00 C ATOM 0 H VAL A 26 -10.300 -13.882 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.860 -14.966 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.329 -13.585 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.760 -14.894 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.438 -15.083 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.662 -16.380 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.277 -14.561 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.185 -16.038 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.608 -14.494 -8.360 1.00 0.00 H new ATOM 266 N SER A 27 -10.053 -17.251 -5.399 1.00 0.00 N ATOM 267 CA SER A 27 -10.095 -18.694 -5.176 1.00 0.00 C ATOM 268 C SER A 27 -11.338 -19.300 -5.822 1.00 0.00 C ATOM 269 O SER A 27 -11.314 -20.440 -6.285 1.00 0.00 O ATOM 270 CB SER A 27 -10.100 -18.990 -3.674 1.00 0.00 C ATOM 271 OG SER A 27 -8.816 -18.708 -3.136 1.00 0.00 O ATOM 0 H SER A 27 -10.371 -16.688 -4.610 1.00 0.00 H new ATOM 0 HA SER A 27 -9.210 -19.140 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.857 -18.385 -3.175 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.359 -20.034 -3.498 1.00 0.00 H new ATOM 0 HG SER A 27 -8.820 -17.816 -2.729 1.00 0.00 H new ATOM 277 N ARG A 28 -12.418 -18.526 -5.860 1.00 0.00 N ATOM 278 CA ARG A 28 -13.665 -18.988 -6.466 1.00 0.00 C ATOM 279 C ARG A 28 -13.613 -18.808 -7.976 1.00 0.00 C ATOM 280 O ARG A 28 -14.371 -19.437 -8.715 1.00 0.00 O ATOM 281 CB ARG A 28 -14.845 -18.204 -5.892 1.00 0.00 C ATOM 282 CG ARG A 28 -15.077 -18.638 -4.443 1.00 0.00 C ATOM 283 CD ARG A 28 -16.163 -17.767 -3.803 1.00 0.00 C ATOM 284 NE ARG A 28 -17.482 -18.196 -4.250 1.00 0.00 N ATOM 285 CZ ARG A 28 -18.587 -17.754 -3.657 1.00 0.00 C ATOM 286 NH1 ARG A 28 -18.500 -16.922 -2.655 1.00 0.00 N ATOM 287 NH2 ARG A 28 -19.757 -18.152 -4.074 1.00 0.00 N ATOM 0 H ARG A 28 -12.457 -17.580 -5.481 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.794 -20.046 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.643 -17.134 -5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.741 -18.384 -6.486 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.375 -19.686 -4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.150 -18.553 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.100 -17.834 -2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.004 -16.722 -4.068 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.559 -18.847 -5.032 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.585 -16.612 -2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.347 -16.582 -2.199 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -19.825 -18.803 -4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.604 -17.812 -3.618 1.00 0.00 H new ATOM 301 N ALA A 29 -12.708 -17.948 -8.425 1.00 0.00 N ATOM 302 CA ALA A 29 -12.548 -17.685 -9.851 1.00 0.00 C ATOM 303 C ALA A 29 -11.965 -18.904 -10.559 1.00 0.00 C ATOM 304 O ALA A 29 -12.084 -19.042 -11.776 1.00 0.00 O ATOM 305 CB ALA A 29 -11.628 -16.480 -10.067 1.00 0.00 C ATOM 0 H ALA A 29 -12.074 -17.421 -7.824 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.531 -17.468 -10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.517 -16.294 -11.135 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.061 -15.601 -9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.651 -16.686 -9.631 1.00 0.00 H new ATOM 311 N LEU A 30 -11.343 -19.791 -9.785 1.00 0.00 N ATOM 312 CA LEU A 30 -10.751 -21.003 -10.345 1.00 0.00 C ATOM 313 C LEU A 30 -11.796 -22.110 -10.427 1.00 0.00 C ATOM 314 O LEU A 30 -11.607 -23.108 -11.121 1.00 0.00 O ATOM 315 CB LEU A 30 -9.581 -21.467 -9.470 1.00 0.00 C ATOM 316 CG LEU A 30 -8.745 -20.252 -9.046 1.00 0.00 C ATOM 317 CD1 LEU A 30 -7.497 -20.717 -8.285 1.00 0.00 C ATOM 318 CD2 LEU A 30 -8.317 -19.468 -10.291 1.00 0.00 C ATOM 0 H LEU A 30 -11.236 -19.694 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.386 -20.781 -11.348 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.956 -21.989 -8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.960 -22.175 -10.020 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.345 -19.614 -8.397 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.908 -19.849 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.798 -21.273 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.896 -21.359 -8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.723 -18.605 -9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.721 -20.111 -10.939 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.202 -19.130 -10.830 1.00 0.00 H new ATOM 330 N MET A 31 -12.906 -21.919 -9.712 1.00 0.00 N ATOM 331 CA MET A 31 -13.992 -22.899 -9.701 1.00 0.00 C ATOM 332 C MET A 31 -15.115 -22.459 -10.634 1.00 0.00 C ATOM 333 O MET A 31 -15.799 -23.291 -11.232 1.00 0.00 O ATOM 334 CB MET A 31 -14.540 -23.050 -8.281 1.00 0.00 C ATOM 335 CG MET A 31 -13.399 -23.421 -7.333 1.00 0.00 C ATOM 336 SD MET A 31 -12.746 -25.048 -7.780 1.00 0.00 S ATOM 337 CE MET A 31 -11.447 -25.127 -6.524 1.00 0.00 C ATOM 0 H MET A 31 -13.076 -21.096 -9.134 1.00 0.00 H new ATOM 0 HA MET A 31 -13.600 -23.856 -10.045 1.00 0.00 H new ATOM 0 HB2 MET A 31 -15.007 -22.119 -7.959 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.312 -23.819 -8.257 1.00 0.00 H new ATOM 0 HG2 MET A 31 -12.608 -22.673 -7.388 1.00 0.00 H new ATOM 0 HG3 MET A 31 -13.757 -23.431 -6.303 1.00 0.00 H new ATOM 0 HE1 MET A 31 -10.906 -26.069 -6.619 1.00 0.00 H new ATOM 0 HE2 MET A 31 -10.756 -24.296 -6.663 1.00 0.00 H new ATOM 0 HE3 MET A 31 -11.895 -25.064 -5.532 1.00 0.00 H new ATOM 347 N ASN A 32 -15.302 -21.147 -10.752 1.00 0.00 N ATOM 348 CA ASN A 32 -16.347 -20.608 -11.615 1.00 0.00 C ATOM 349 C ASN A 32 -16.053 -19.142 -11.961 1.00 0.00 C ATOM 350 O ASN A 32 -15.482 -18.420 -11.144 1.00 0.00 O ATOM 351 CB ASN A 32 -17.699 -20.701 -10.904 1.00 0.00 C ATOM 352 CG ASN A 32 -18.168 -22.152 -10.862 1.00 0.00 C ATOM 353 OD1 ASN A 32 -18.199 -22.763 -9.794 1.00 0.00 O ATOM 354 ND2 ASN A 32 -18.536 -22.742 -11.966 1.00 0.00 N ATOM 0 H ASN A 32 -14.748 -20.443 -10.265 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.374 -21.190 -12.536 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.614 -20.308 -9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.435 -20.087 -11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.850 -23.712 -11.945 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.509 -22.233 -12.850 1.00 0.00 H new ATOM 361 N PRO A 33 -16.425 -18.682 -13.137 1.00 0.00 N ATOM 362 CA PRO A 33 -16.181 -17.267 -13.554 1.00 0.00 C ATOM 363 C PRO A 33 -17.191 -16.298 -12.935 1.00 0.00 C ATOM 364 O PRO A 33 -16.824 -15.225 -12.457 1.00 0.00 O ATOM 365 CB PRO A 33 -16.340 -17.325 -15.075 1.00 0.00 C ATOM 366 CG PRO A 33 -17.364 -18.391 -15.294 1.00 0.00 C ATOM 367 CD PRO A 33 -17.111 -19.441 -14.206 1.00 0.00 C ATOM 0 HA PRO A 33 -15.208 -16.899 -13.228 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -16.669 -16.367 -15.478 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.398 -17.570 -15.565 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -18.373 -17.986 -15.219 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -17.268 -18.827 -16.288 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -18.043 -19.881 -13.850 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.493 -20.259 -14.576 1.00 0.00 H new ATOM 375 N ASP A 34 -18.465 -16.680 -12.971 1.00 0.00 N ATOM 376 CA ASP A 34 -19.529 -15.837 -12.431 1.00 0.00 C ATOM 377 C ASP A 34 -19.459 -15.758 -10.907 1.00 0.00 C ATOM 378 O ASP A 34 -20.435 -16.052 -10.218 1.00 0.00 O ATOM 379 CB ASP A 34 -20.891 -16.396 -12.847 1.00 0.00 C ATOM 380 CG ASP A 34 -20.978 -17.875 -12.491 1.00 0.00 C ATOM 381 OD1 ASP A 34 -20.208 -18.643 -13.044 1.00 0.00 O ATOM 382 OD2 ASP A 34 -21.812 -18.220 -11.669 1.00 0.00 O ATOM 0 H ASP A 34 -18.785 -17.564 -13.367 1.00 0.00 H new ATOM 0 HA ASP A 34 -19.398 -14.832 -12.833 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -21.688 -15.846 -12.346 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -21.036 -16.262 -13.919 1.00 0.00 H new ATOM 387 N LYS A 35 -18.303 -15.349 -10.382 1.00 0.00 N ATOM 388 CA LYS A 35 -18.114 -15.222 -8.933 1.00 0.00 C ATOM 389 C LYS A 35 -17.589 -13.834 -8.588 1.00 0.00 C ATOM 390 O LYS A 35 -17.463 -13.479 -7.416 1.00 0.00 O ATOM 391 CB LYS A 35 -17.127 -16.284 -8.437 1.00 0.00 C ATOM 392 CG LYS A 35 -17.716 -17.693 -8.639 1.00 0.00 C ATOM 393 CD LYS A 35 -18.660 -18.051 -7.483 1.00 0.00 C ATOM 394 CE LYS A 35 -19.070 -19.520 -7.599 1.00 0.00 C ATOM 395 NZ LYS A 35 -19.866 -19.717 -8.843 1.00 0.00 N ATOM 0 H LYS A 35 -17.484 -15.100 -10.936 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.076 -15.369 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.184 -16.195 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.907 -16.122 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.257 -17.736 -9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.911 -18.425 -8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.166 -17.874 -6.527 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.543 -17.412 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.185 -20.155 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.656 -19.815 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.886 -20.728 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.837 -19.378 -8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.431 -19.182 -9.622 1.00 0.00 H new ATOM 409 N VAL A 36 -17.285 -13.048 -9.622 1.00 0.00 N ATOM 410 CA VAL A 36 -16.774 -11.690 -9.431 1.00 0.00 C ATOM 411 C VAL A 36 -17.867 -10.667 -9.727 1.00 0.00 C ATOM 412 O VAL A 36 -18.669 -10.847 -10.643 1.00 0.00 O ATOM 413 CB VAL A 36 -15.583 -11.450 -10.364 1.00 0.00 C ATOM 414 CG1 VAL A 36 -14.356 -12.196 -9.835 1.00 0.00 C ATOM 415 CG2 VAL A 36 -15.924 -11.962 -11.765 1.00 0.00 C ATOM 0 H VAL A 36 -17.383 -13.328 -10.598 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.454 -11.578 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.366 -10.383 -10.407 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.510 -12.023 -10.501 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.112 -11.833 -8.837 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.571 -13.264 -9.790 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.078 -11.792 -12.430 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.141 -13.029 -11.719 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.796 -11.430 -12.144 1.00 0.00 H new ATOM 425 N SER A 37 -17.886 -9.591 -8.949 1.00 0.00 N ATOM 426 CA SER A 37 -18.880 -8.542 -9.138 1.00 0.00 C ATOM 427 C SER A 37 -18.664 -7.849 -10.477 1.00 0.00 C ATOM 428 O SER A 37 -17.586 -7.929 -11.061 1.00 0.00 O ATOM 429 CB SER A 37 -18.781 -7.518 -8.007 1.00 0.00 C ATOM 430 OG SER A 37 -19.271 -8.096 -6.806 1.00 0.00 O ATOM 0 H SER A 37 -17.229 -9.423 -8.187 1.00 0.00 H new ATOM 0 HA SER A 37 -19.872 -8.994 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.746 -7.202 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.357 -6.627 -8.256 1.00 0.00 H new ATOM 0 HG SER A 37 -19.207 -7.442 -6.079 1.00 0.00 H new ATOM 436 N GLN A 38 -19.701 -7.180 -10.963 1.00 0.00 N ATOM 437 CA GLN A 38 -19.614 -6.488 -12.243 1.00 0.00 C ATOM 438 C GLN A 38 -18.332 -5.657 -12.314 1.00 0.00 C ATOM 439 O GLN A 38 -17.594 -5.727 -13.297 1.00 0.00 O ATOM 440 CB GLN A 38 -20.853 -5.591 -12.464 1.00 0.00 C ATOM 441 CG GLN A 38 -21.342 -5.008 -11.127 1.00 0.00 C ATOM 442 CD GLN A 38 -22.226 -6.016 -10.395 1.00 0.00 C ATOM 443 OE1 GLN A 38 -23.114 -6.616 -11.000 1.00 0.00 O ATOM 444 NE2 GLN A 38 -22.034 -6.237 -9.123 1.00 0.00 N ATOM 0 H GLN A 38 -20.604 -7.102 -10.496 1.00 0.00 H new ATOM 0 HA GLN A 38 -19.587 -7.235 -13.036 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -20.606 -4.782 -13.151 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -21.651 -6.171 -12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -20.487 -4.745 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -21.900 -4.089 -11.307 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -21.297 -5.738 -8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -22.621 -6.909 -8.628 1.00 0.00 H new ATOM 453 N ALA A 39 -18.069 -4.877 -11.271 1.00 0.00 N ATOM 454 CA ALA A 39 -16.866 -4.057 -11.254 1.00 0.00 C ATOM 455 C ALA A 39 -15.633 -4.955 -11.272 1.00 0.00 C ATOM 456 O ALA A 39 -14.746 -4.798 -12.114 1.00 0.00 O ATOM 457 CB ALA A 39 -16.842 -3.176 -10.000 1.00 0.00 C ATOM 0 H ALA A 39 -18.659 -4.796 -10.443 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.863 -3.417 -12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.937 -2.568 -10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.716 -2.525 -9.996 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.855 -3.807 -9.112 1.00 0.00 H new ATOM 463 N THR A 40 -15.587 -5.894 -10.335 1.00 0.00 N ATOM 464 CA THR A 40 -14.464 -6.820 -10.234 1.00 0.00 C ATOM 465 C THR A 40 -14.352 -7.674 -11.493 1.00 0.00 C ATOM 466 O THR A 40 -13.283 -8.197 -11.807 1.00 0.00 O ATOM 467 CB THR A 40 -14.658 -7.726 -9.012 1.00 0.00 C ATOM 468 OG1 THR A 40 -14.773 -6.922 -7.846 1.00 0.00 O ATOM 469 CG2 THR A 40 -13.466 -8.673 -8.863 1.00 0.00 C ATOM 0 H THR A 40 -16.314 -6.035 -9.634 1.00 0.00 H new ATOM 0 HA THR A 40 -13.545 -6.244 -10.125 1.00 0.00 H new ATOM 0 HB THR A 40 -15.564 -8.317 -9.145 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.899 -7.498 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.615 -9.311 -7.992 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.379 -9.292 -9.756 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.553 -8.091 -8.735 1.00 0.00 H new ATOM 477 N ARG A 41 -15.458 -7.808 -12.211 1.00 0.00 N ATOM 478 CA ARG A 41 -15.470 -8.599 -13.435 1.00 0.00 C ATOM 479 C ARG A 41 -14.704 -7.885 -14.543 1.00 0.00 C ATOM 480 O ARG A 41 -13.928 -8.502 -15.274 1.00 0.00 O ATOM 481 CB ARG A 41 -16.910 -8.850 -13.887 1.00 0.00 C ATOM 482 CG ARG A 41 -16.913 -9.856 -15.039 1.00 0.00 C ATOM 483 CD ARG A 41 -18.354 -10.147 -15.462 1.00 0.00 C ATOM 484 NE ARG A 41 -18.391 -11.281 -16.380 1.00 0.00 N ATOM 485 CZ ARG A 41 -19.520 -11.943 -16.608 1.00 0.00 C ATOM 486 NH1 ARG A 41 -20.621 -11.581 -16.009 1.00 0.00 N ATOM 487 NH2 ARG A 41 -19.527 -12.955 -17.432 1.00 0.00 N ATOM 0 H ARG A 41 -16.353 -7.383 -11.970 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.985 -9.553 -13.230 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.503 -9.231 -13.055 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.371 -7.915 -14.205 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.349 -9.459 -15.883 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.420 -10.778 -14.731 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.962 -10.361 -14.583 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.785 -9.268 -15.941 1.00 0.00 H new ATOM 0 HE ARG A 41 -17.536 -11.570 -16.855 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.615 -10.790 -15.366 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -21.488 -12.089 -16.184 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.666 -13.237 -17.900 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -20.393 -13.464 -17.608 1.00 0.00 H new ATOM 501 N ASN A 42 -14.942 -6.585 -14.672 1.00 0.00 N ATOM 502 CA ASN A 42 -14.283 -5.797 -15.706 1.00 0.00 C ATOM 503 C ASN A 42 -12.807 -5.577 -15.385 1.00 0.00 C ATOM 504 O ASN A 42 -11.954 -5.671 -16.268 1.00 0.00 O ATOM 505 CB ASN A 42 -14.980 -4.443 -15.853 1.00 0.00 C ATOM 506 CG ASN A 42 -16.398 -4.641 -16.378 1.00 0.00 C ATOM 507 OD1 ASN A 42 -17.171 -3.686 -16.455 1.00 0.00 O ATOM 508 ND2 ASN A 42 -16.787 -5.831 -16.744 1.00 0.00 N ATOM 0 H ASN A 42 -15.582 -6.057 -14.078 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.350 -6.352 -16.642 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -15.008 -3.933 -14.890 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.416 -3.807 -16.535 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -17.734 -5.972 -17.095 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -16.144 -6.620 -16.679 1.00 0.00 H new ATOM 515 N ARG A 43 -12.509 -5.271 -14.126 1.00 0.00 N ATOM 516 CA ARG A 43 -11.130 -5.028 -13.722 1.00 0.00 C ATOM 517 C ARG A 43 -10.299 -6.296 -13.864 1.00 0.00 C ATOM 518 O ARG A 43 -9.184 -6.264 -14.380 1.00 0.00 O ATOM 519 CB ARG A 43 -11.089 -4.549 -12.269 1.00 0.00 C ATOM 520 CG ARG A 43 -11.753 -3.175 -12.166 1.00 0.00 C ATOM 521 CD ARG A 43 -11.597 -2.636 -10.743 1.00 0.00 C ATOM 522 NE ARG A 43 -10.194 -2.658 -10.347 1.00 0.00 N ATOM 523 CZ ARG A 43 -9.348 -1.716 -10.756 1.00 0.00 C ATOM 524 NH1 ARG A 43 -9.771 -0.750 -11.523 1.00 0.00 N ATOM 525 NH2 ARG A 43 -8.097 -1.759 -10.389 1.00 0.00 N ATOM 0 H ARG A 43 -13.195 -5.186 -13.376 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.711 -4.259 -14.371 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.603 -5.262 -11.625 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.057 -4.493 -11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.299 -2.486 -12.879 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.809 -3.250 -12.424 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.982 -1.618 -10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.187 -3.238 -10.052 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.855 -3.409 -9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.750 -0.717 -11.809 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.123 -0.027 -11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.767 -2.515 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.448 -1.037 -10.703 1.00 0.00 H new ATOM 539 N VAL A 44 -10.853 -7.411 -13.405 1.00 0.00 N ATOM 540 CA VAL A 44 -10.153 -8.681 -13.491 1.00 0.00 C ATOM 541 C VAL A 44 -9.873 -9.025 -14.953 1.00 0.00 C ATOM 542 O VAL A 44 -8.769 -9.442 -15.300 1.00 0.00 O ATOM 543 CB VAL A 44 -10.993 -9.786 -12.826 1.00 0.00 C ATOM 544 CG1 VAL A 44 -10.479 -11.170 -13.236 1.00 0.00 C ATOM 545 CG2 VAL A 44 -10.898 -9.648 -11.304 1.00 0.00 C ATOM 0 H VAL A 44 -11.776 -7.460 -12.974 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.201 -8.603 -12.966 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.029 -9.681 -13.149 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.084 -11.940 -12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.546 -11.277 -14.319 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.440 -11.279 -12.925 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.492 -10.429 -10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.857 -9.745 -10.994 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.277 -8.671 -11.003 1.00 0.00 H new ATOM 555 N GLU A 45 -10.881 -8.858 -15.800 1.00 0.00 N ATOM 556 CA GLU A 45 -10.726 -9.166 -17.219 1.00 0.00 C ATOM 557 C GLU A 45 -9.484 -8.484 -17.786 1.00 0.00 C ATOM 558 O GLU A 45 -8.635 -9.132 -18.398 1.00 0.00 O ATOM 559 CB GLU A 45 -11.963 -8.710 -18.003 1.00 0.00 C ATOM 560 CG GLU A 45 -11.903 -9.265 -19.430 1.00 0.00 C ATOM 561 CD GLU A 45 -12.098 -10.778 -19.411 1.00 0.00 C ATOM 562 OE1 GLU A 45 -13.114 -11.218 -18.900 1.00 0.00 O ATOM 563 OE2 GLU A 45 -11.227 -11.473 -19.906 1.00 0.00 O ATOM 0 H GLU A 45 -11.805 -8.515 -15.535 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.614 -10.246 -17.320 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.869 -9.056 -17.506 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.009 -7.621 -18.027 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.674 -8.799 -20.043 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.943 -9.020 -19.884 1.00 0.00 H new ATOM 570 N LYS A 46 -9.376 -7.174 -17.578 1.00 0.00 N ATOM 571 CA LYS A 46 -8.225 -6.423 -18.075 1.00 0.00 C ATOM 572 C LYS A 46 -6.966 -6.755 -17.276 1.00 0.00 C ATOM 573 O LYS A 46 -5.871 -6.842 -17.834 1.00 0.00 O ATOM 574 CB LYS A 46 -8.505 -4.919 -17.988 1.00 0.00 C ATOM 575 CG LYS A 46 -9.520 -4.516 -19.067 1.00 0.00 C ATOM 576 CD LYS A 46 -10.085 -3.132 -18.745 1.00 0.00 C ATOM 577 CE LYS A 46 -11.140 -2.755 -19.787 1.00 0.00 C ATOM 578 NZ LYS A 46 -11.859 -1.527 -19.347 1.00 0.00 N ATOM 0 H LYS A 46 -10.064 -6.615 -17.074 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.060 -6.706 -19.115 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.892 -4.668 -17.000 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.579 -4.359 -18.119 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.041 -4.506 -20.046 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.327 -5.248 -19.114 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.527 -3.131 -17.748 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.284 -2.393 -18.740 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.666 -2.585 -20.754 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.846 -3.575 -19.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.576 -1.272 -20.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.323 -1.705 -18.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.180 -0.746 -19.244 1.00 0.00 H new ATOM 592 N ALA A 47 -7.128 -6.933 -15.969 1.00 0.00 N ATOM 593 CA ALA A 47 -6.002 -7.248 -15.098 1.00 0.00 C ATOM 594 C ALA A 47 -5.530 -8.683 -15.315 1.00 0.00 C ATOM 595 O ALA A 47 -4.387 -9.024 -15.010 1.00 0.00 O ATOM 596 CB ALA A 47 -6.403 -7.049 -13.634 1.00 0.00 C ATOM 0 H ALA A 47 -8.026 -6.865 -15.491 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.181 -6.575 -15.344 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.557 -7.286 -12.989 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.700 -6.012 -13.476 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.238 -7.707 -13.393 1.00 0.00 H new ATOM 602 N ALA A 48 -6.415 -9.519 -15.846 1.00 0.00 N ATOM 603 CA ALA A 48 -6.077 -10.915 -16.103 1.00 0.00 C ATOM 604 C ALA A 48 -5.138 -11.029 -17.300 1.00 0.00 C ATOM 605 O ALA A 48 -4.171 -11.790 -17.272 1.00 0.00 O ATOM 606 CB ALA A 48 -7.350 -11.719 -16.373 1.00 0.00 C ATOM 0 H ALA A 48 -7.366 -9.257 -16.106 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.574 -11.315 -15.222 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.089 -12.760 -16.564 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.007 -11.663 -15.505 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.862 -11.308 -17.243 1.00 0.00 H new ATOM 612 N ARG A 49 -5.429 -10.266 -18.350 1.00 0.00 N ATOM 613 CA ARG A 49 -4.606 -10.287 -19.553 1.00 0.00 C ATOM 614 C ARG A 49 -3.208 -9.762 -19.247 1.00 0.00 C ATOM 615 O ARG A 49 -2.221 -10.228 -19.815 1.00 0.00 O ATOM 616 CB ARG A 49 -5.256 -9.424 -20.645 1.00 0.00 C ATOM 617 CG ARG A 49 -6.475 -10.157 -21.252 1.00 0.00 C ATOM 618 CD ARG A 49 -6.040 -10.996 -22.467 1.00 0.00 C ATOM 619 NE ARG A 49 -4.672 -11.471 -22.292 1.00 0.00 N ATOM 620 CZ ARG A 49 -4.205 -12.494 -23.000 1.00 0.00 C ATOM 621 NH1 ARG A 49 -4.974 -13.093 -23.867 1.00 0.00 N ATOM 622 NH2 ARG A 49 -2.976 -12.900 -22.828 1.00 0.00 N ATOM 0 H ARG A 49 -6.225 -9.629 -18.391 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.527 -11.316 -19.905 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.570 -8.469 -20.225 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.528 -9.205 -21.426 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.932 -10.801 -20.501 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.231 -9.432 -21.553 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.713 -11.844 -22.591 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.111 -10.397 -23.375 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.064 -11.010 -21.615 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.934 -12.776 -24.002 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.615 -13.878 -24.410 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.374 -12.432 -22.150 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.618 -13.685 -23.371 1.00 0.00 H new ATOM 636 N GLU A 50 -3.132 -8.790 -18.346 1.00 0.00 N ATOM 637 CA GLU A 50 -1.849 -8.211 -17.971 1.00 0.00 C ATOM 638 C GLU A 50 -0.882 -9.308 -17.543 1.00 0.00 C ATOM 639 O GLU A 50 0.253 -9.369 -18.018 1.00 0.00 O ATOM 640 CB GLU A 50 -2.039 -7.210 -16.824 1.00 0.00 C ATOM 641 CG GLU A 50 -2.621 -5.900 -17.368 1.00 0.00 C ATOM 642 CD GLU A 50 -3.093 -5.022 -16.214 1.00 0.00 C ATOM 643 OE1 GLU A 50 -2.521 -5.129 -15.142 1.00 0.00 O ATOM 644 OE2 GLU A 50 -4.018 -4.253 -16.420 1.00 0.00 O ATOM 0 H GLU A 50 -3.937 -8.389 -17.865 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.435 -7.690 -18.834 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.705 -7.629 -16.070 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.084 -7.019 -16.334 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.867 -5.373 -17.953 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.454 -6.113 -18.039 1.00 0.00 H new ATOM 651 N VAL A 51 -1.334 -10.174 -16.638 1.00 0.00 N ATOM 652 CA VAL A 51 -0.498 -11.271 -16.146 1.00 0.00 C ATOM 653 C VAL A 51 -0.687 -12.529 -16.992 1.00 0.00 C ATOM 654 O VAL A 51 -0.015 -13.538 -16.779 1.00 0.00 O ATOM 655 CB VAL A 51 -0.842 -11.564 -14.681 1.00 0.00 C ATOM 656 CG1 VAL A 51 0.055 -12.692 -14.148 1.00 0.00 C ATOM 657 CG2 VAL A 51 -0.621 -10.294 -13.852 1.00 0.00 C ATOM 0 H VAL A 51 -2.269 -10.139 -16.231 1.00 0.00 H new ATOM 0 HA VAL A 51 0.547 -10.969 -16.221 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.884 -11.876 -14.607 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.195 -12.895 -13.107 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.102 -13.593 -14.741 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.100 -12.390 -14.218 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.864 -10.494 -12.808 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.422 -9.986 -13.930 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.264 -9.498 -14.228 1.00 0.00 H new ATOM 667 N GLY A 52 -1.596 -12.460 -17.960 1.00 0.00 N ATOM 668 CA GLY A 52 -1.853 -13.596 -18.838 1.00 0.00 C ATOM 669 C GLY A 52 -1.951 -14.902 -18.054 1.00 0.00 C ATOM 670 O GLY A 52 -1.450 -15.937 -18.495 1.00 0.00 O ATOM 0 H GLY A 52 -2.163 -11.635 -18.155 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.780 -13.430 -19.387 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.055 -13.673 -19.577 1.00 0.00 H new ATOM 674 N TYR A 53 -2.599 -14.852 -16.890 1.00 0.00 N ATOM 675 CA TYR A 53 -2.760 -16.046 -16.054 1.00 0.00 C ATOM 676 C TYR A 53 -4.152 -16.085 -15.434 1.00 0.00 C ATOM 677 O TYR A 53 -4.503 -15.227 -14.624 1.00 0.00 O ATOM 678 CB TYR A 53 -1.709 -16.045 -14.941 1.00 0.00 C ATOM 679 CG TYR A 53 -1.660 -17.408 -14.286 1.00 0.00 C ATOM 680 CD1 TYR A 53 -1.180 -18.509 -15.005 1.00 0.00 C ATOM 681 CD2 TYR A 53 -2.095 -17.571 -12.965 1.00 0.00 C ATOM 682 CE1 TYR A 53 -1.135 -19.773 -14.403 1.00 0.00 C ATOM 683 CE2 TYR A 53 -2.050 -18.834 -12.364 1.00 0.00 C ATOM 684 CZ TYR A 53 -1.569 -19.935 -13.083 1.00 0.00 C ATOM 685 OH TYR A 53 -1.525 -21.179 -12.489 1.00 0.00 O ATOM 0 H TYR A 53 -3.019 -14.006 -16.505 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.630 -16.927 -16.683 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.731 -15.792 -15.351 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.951 -15.283 -14.200 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.844 -18.384 -16.024 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.465 -16.722 -12.410 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.765 -20.623 -14.958 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.386 -18.960 -11.345 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.862 -21.115 -11.571 1.00 0.00 H new ATOM 695 N LEU A 54 -4.943 -17.092 -15.812 1.00 0.00 N ATOM 696 CA LEU A 54 -6.304 -17.246 -15.285 1.00 0.00 C ATOM 697 C LEU A 54 -6.395 -18.442 -14.322 1.00 0.00 C ATOM 698 O LEU A 54 -7.148 -18.388 -13.348 1.00 0.00 O ATOM 699 CB LEU A 54 -7.311 -17.421 -16.447 1.00 0.00 C ATOM 700 CG LEU A 54 -7.767 -16.041 -16.983 1.00 0.00 C ATOM 701 CD1 LEU A 54 -8.132 -16.151 -18.469 1.00 0.00 C ATOM 702 CD2 LEU A 54 -8.999 -15.553 -16.204 1.00 0.00 C ATOM 0 H LEU A 54 -4.667 -17.812 -16.479 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.554 -16.343 -14.729 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.851 -17.996 -17.251 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.176 -17.988 -16.104 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.949 -15.332 -16.856 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.452 -15.177 -18.838 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.262 -16.485 -19.034 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.942 -16.869 -18.592 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.312 -14.582 -16.589 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.812 -16.269 -16.323 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.748 -15.461 -15.147 1.00 0.00 H new ATOM 714 N PRO A 55 -5.665 -19.514 -14.556 1.00 0.00 N ATOM 715 CA PRO A 55 -5.711 -20.712 -13.661 1.00 0.00 C ATOM 716 C PRO A 55 -5.467 -20.344 -12.197 1.00 0.00 C ATOM 717 O PRO A 55 -4.745 -21.072 -11.536 1.00 0.00 O ATOM 718 CB PRO A 55 -4.595 -21.619 -14.206 1.00 0.00 C ATOM 719 CG PRO A 55 -4.445 -21.218 -15.638 1.00 0.00 C ATOM 720 CD PRO A 55 -4.727 -19.716 -15.677 1.00 0.00 C ATOM 0 HA PRO A 55 -6.689 -21.194 -13.666 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.665 -21.477 -13.656 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.861 -22.672 -14.116 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.442 -21.438 -16.003 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.142 -21.764 -16.273 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.815 -19.133 -15.548 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.166 -19.414 -16.628 1.00 0.00 H new TER 728 PRO A 55