USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 456 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 12 ASN : amide:sc= 0.68 X(o=1.4,f=1.3) USER MOD Set 1.2: A 17 THR OG1 : rot 120:sc= 0.756 USER MOD Set 2.1: A 16 THR OG1 : rot -67:sc= 1.24 USER MOD Set 2.2: A 20 HIS : no HE2:sc= -0.398 K(o=0.84,f=-1.9) USER MOD Set 3.1: A 1 MET N :NH3+ 159:sc= 1.27 (180deg=-0.463) USER MOD Set 3.2: A 44 HIS : no HE2:sc= 0.94 K(o=2.2,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 49:sc= 1.13 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 71:sc= 0.363 USER MOD Single : A 23 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.5!) USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= 1.16 (180deg=1.12) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 34 ASN : amide:sc=-0.00454 X(o=-0.0045,f=-0.019) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc=-1.76e-05 (180deg=-0.151) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -42:sc= 0.513 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00931 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.022 21.763 1.839 1.00 0.00 N ATOM 2 CA MET A 1 -1.809 20.931 1.827 1.00 0.00 C ATOM 3 C MET A 1 -1.165 20.988 0.446 1.00 0.00 C ATOM 4 O MET A 1 -1.836 20.750 -0.555 1.00 0.00 O ATOM 5 CB MET A 1 -2.151 19.485 2.212 1.00 0.00 C ATOM 6 CG MET A 1 -0.867 18.663 2.397 1.00 0.00 C ATOM 7 SD MET A 1 -0.180 18.001 0.856 1.00 0.00 S ATOM 8 CE MET A 1 1.310 17.216 1.521 1.00 0.00 C ATOM 0 H1 MET A 1 -3.642 21.462 2.618 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.758 22.760 1.972 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.525 21.656 0.935 1.00 0.00 H new ATOM 0 HA MET A 1 -1.100 21.315 2.560 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.733 19.475 3.134 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.772 19.033 1.438 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.115 19.288 2.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.074 17.835 3.075 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.869 16.749 0.710 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.933 17.969 2.004 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.027 16.457 2.250 1.00 0.00 H new ATOM 20 N ALA A 2 0.132 21.306 0.399 1.00 0.00 N ATOM 21 CA ALA A 2 0.868 21.387 -0.853 1.00 0.00 C ATOM 22 C ALA A 2 2.364 21.327 -0.563 1.00 0.00 C ATOM 23 O ALA A 2 2.799 21.661 0.544 1.00 0.00 O ATOM 24 CB ALA A 2 0.507 22.685 -1.574 1.00 0.00 C ATOM 0 H ALA A 2 0.693 21.512 1.226 1.00 0.00 H new ATOM 0 HA ALA A 2 0.603 20.548 -1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.059 22.746 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.563 22.701 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.768 23.536 -0.944 1.00 0.00 H new ATOM 30 N THR A 3 3.146 20.894 -1.561 1.00 0.00 N ATOM 31 CA THR A 3 4.587 20.759 -1.427 1.00 0.00 C ATOM 32 C THR A 3 5.295 21.852 -2.228 1.00 0.00 C ATOM 33 O THR A 3 4.729 22.411 -3.167 1.00 0.00 O ATOM 34 CB THR A 3 5.019 19.365 -1.909 1.00 0.00 C ATOM 35 OG1 THR A 3 4.199 18.942 -2.982 1.00 0.00 O ATOM 36 CG2 THR A 3 4.889 18.365 -0.759 1.00 0.00 C ATOM 0 H THR A 3 2.790 20.630 -2.480 1.00 0.00 H new ATOM 0 HA THR A 3 4.866 20.871 -0.379 1.00 0.00 H new ATOM 0 HB THR A 3 6.055 19.415 -2.246 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.143 19.655 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.195 17.376 -1.100 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.527 18.677 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.852 18.328 -0.424 1.00 0.00 H new ATOM 44 N ILE A 4 6.544 22.150 -1.845 1.00 0.00 N ATOM 45 CA ILE A 4 7.349 23.172 -2.502 1.00 0.00 C ATOM 46 C ILE A 4 7.534 22.830 -3.982 1.00 0.00 C ATOM 47 O ILE A 4 7.695 23.721 -4.805 1.00 0.00 O ATOM 48 CB ILE A 4 8.699 23.291 -1.763 1.00 0.00 C ATOM 49 CG1 ILE A 4 9.514 24.485 -2.318 1.00 0.00 C ATOM 50 CG2 ILE A 4 9.495 21.976 -1.866 1.00 0.00 C ATOM 51 CD1 ILE A 4 10.535 24.037 -3.372 1.00 0.00 C ATOM 0 H ILE A 4 7.019 21.686 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 4 6.844 24.137 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 4 8.502 23.477 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.835 25.216 -2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.032 24.984 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.443 22.082 -1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.919 21.166 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.687 21.748 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.086 24.904 -3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.231 23.326 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.015 23.562 -4.204 1.00 0.00 H new ATOM 63 N LYS A 5 7.504 21.533 -4.306 1.00 0.00 N ATOM 64 CA LYS A 5 7.653 21.054 -5.675 1.00 0.00 C ATOM 65 C LYS A 5 6.735 21.832 -6.620 1.00 0.00 C ATOM 66 O LYS A 5 7.203 22.515 -7.532 1.00 0.00 O ATOM 67 CB LYS A 5 7.298 19.565 -5.714 1.00 0.00 C ATOM 68 CG LYS A 5 8.351 18.750 -4.953 1.00 0.00 C ATOM 69 CD LYS A 5 8.051 17.250 -5.084 1.00 0.00 C ATOM 70 CE LYS A 5 6.758 16.899 -4.337 1.00 0.00 C ATOM 71 NZ LYS A 5 6.546 15.440 -4.297 1.00 0.00 N ATOM 0 H LYS A 5 7.375 20.788 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 5 8.682 21.203 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.315 19.406 -5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.241 19.224 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.344 18.966 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.355 19.038 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.956 16.982 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.881 16.670 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.804 17.291 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.910 17.379 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.665 15.231 -3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.479 15.072 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.345 14.986 -3.809 1.00 0.00 H new ATOM 85 N ASP A 6 5.427 21.709 -6.397 1.00 0.00 N ATOM 86 CA ASP A 6 4.418 22.356 -7.224 1.00 0.00 C ATOM 87 C ASP A 6 4.615 23.871 -7.231 1.00 0.00 C ATOM 88 O ASP A 6 4.546 24.504 -8.286 1.00 0.00 O ATOM 89 CB ASP A 6 3.029 21.997 -6.682 1.00 0.00 C ATOM 90 CG ASP A 6 2.944 20.512 -6.339 1.00 0.00 C ATOM 91 OD1 ASP A 6 3.453 20.153 -5.250 1.00 0.00 O ATOM 92 OD2 ASP A 6 2.382 19.767 -7.168 1.00 0.00 O ATOM 0 H ASP A 6 5.039 21.155 -5.634 1.00 0.00 H new ATOM 0 HA ASP A 6 4.512 22.005 -8.252 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.816 22.592 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.270 22.247 -7.423 1.00 0.00 H new ATOM 97 N VAL A 7 4.853 24.450 -6.051 1.00 0.00 N ATOM 98 CA VAL A 7 5.041 25.887 -5.917 1.00 0.00 C ATOM 99 C VAL A 7 6.193 26.357 -6.806 1.00 0.00 C ATOM 100 O VAL A 7 6.083 27.385 -7.464 1.00 0.00 O ATOM 101 CB VAL A 7 5.313 26.229 -4.443 1.00 0.00 C ATOM 102 CG1 VAL A 7 5.607 27.724 -4.302 1.00 0.00 C ATOM 103 CG2 VAL A 7 4.089 25.873 -3.595 1.00 0.00 C ATOM 0 H VAL A 7 4.919 23.937 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 7 4.137 26.403 -6.239 1.00 0.00 H new ATOM 0 HB VAL A 7 6.174 25.656 -4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 7 5.799 27.960 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.483 27.980 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.749 28.298 -4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.286 26.117 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.227 26.441 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.881 24.807 -3.685 1.00 0.00 H new ATOM 113 N ALA A 8 7.298 25.606 -6.818 1.00 0.00 N ATOM 114 CA ALA A 8 8.472 25.960 -7.600 1.00 0.00 C ATOM 115 C ALA A 8 8.138 25.995 -9.091 1.00 0.00 C ATOM 116 O ALA A 8 8.607 26.876 -9.808 1.00 0.00 O ATOM 117 CB ALA A 8 9.583 24.953 -7.322 1.00 0.00 C ATOM 0 H ALA A 8 7.398 24.741 -6.287 1.00 0.00 H new ATOM 0 HA ALA A 8 8.808 26.956 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.465 25.214 -7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.832 24.970 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.247 23.954 -7.600 1.00 0.00 H new ATOM 123 N LYS A 9 7.328 25.038 -9.556 1.00 0.00 N ATOM 124 CA LYS A 9 6.934 24.982 -10.958 1.00 0.00 C ATOM 125 C LYS A 9 6.100 26.213 -11.303 1.00 0.00 C ATOM 126 O LYS A 9 6.365 26.887 -12.293 1.00 0.00 O ATOM 127 CB LYS A 9 6.136 23.701 -11.220 1.00 0.00 C ATOM 128 CG LYS A 9 7.035 22.478 -11.036 1.00 0.00 C ATOM 129 CD LYS A 9 6.195 21.206 -11.162 1.00 0.00 C ATOM 130 CE LYS A 9 7.066 19.981 -10.874 1.00 0.00 C ATOM 131 NZ LYS A 9 6.275 18.741 -10.959 1.00 0.00 N ATOM 0 H LYS A 9 6.935 24.295 -8.978 1.00 0.00 H new ATOM 0 HA LYS A 9 7.823 24.972 -11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.288 23.645 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.731 23.716 -12.232 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.827 22.479 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.519 22.512 -10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.358 21.241 -10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.772 21.136 -12.164 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.890 19.941 -11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.507 20.069 -9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.887 17.924 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.503 18.773 -10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.875 18.649 -11.915 1.00 0.00 H new ATOM 145 N ARG A 10 5.091 26.501 -10.473 1.00 0.00 N ATOM 146 CA ARG A 10 4.218 27.647 -10.680 1.00 0.00 C ATOM 147 C ARG A 10 5.015 28.951 -10.555 1.00 0.00 C ATOM 148 O ARG A 10 4.692 29.941 -11.215 1.00 0.00 O ATOM 149 CB ARG A 10 3.081 27.593 -9.648 1.00 0.00 C ATOM 150 CG ARG A 10 2.157 28.811 -9.801 1.00 0.00 C ATOM 151 CD ARG A 10 2.490 29.853 -8.727 1.00 0.00 C ATOM 152 NE ARG A 10 1.624 31.033 -8.843 1.00 0.00 N ATOM 153 CZ ARG A 10 1.881 32.065 -9.664 1.00 0.00 C ATOM 154 NH1 ARG A 10 2.872 31.989 -10.567 1.00 0.00 N ATOM 155 NH2 ARG A 10 1.140 33.178 -9.582 1.00 0.00 N ATOM 0 H ARG A 10 4.863 25.947 -9.647 1.00 0.00 H new ATOM 0 HA ARG A 10 3.793 27.616 -11.683 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.507 26.675 -9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.497 27.569 -8.641 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.276 29.247 -10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.115 28.503 -9.711 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.374 29.409 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.533 30.154 -8.820 1.00 0.00 H new ATOM 0 HE ARG A 10 0.782 31.071 -8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.437 31.143 -10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.060 32.778 -11.186 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.385 33.239 -8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.331 33.965 -10.203 1.00 0.00 H new ATOM 169 N ALA A 11 6.048 28.953 -9.708 1.00 0.00 N ATOM 170 CA ALA A 11 6.866 30.133 -9.486 1.00 0.00 C ATOM 171 C ALA A 11 7.738 30.420 -10.705 1.00 0.00 C ATOM 172 O ALA A 11 7.726 31.536 -11.220 1.00 0.00 O ATOM 173 CB ALA A 11 7.740 29.923 -8.249 1.00 0.00 C ATOM 0 H ALA A 11 6.334 28.139 -9.164 1.00 0.00 H new ATOM 0 HA ALA A 11 6.213 30.991 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.354 30.808 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.105 29.753 -7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.385 29.058 -8.402 1.00 0.00 H new ATOM 179 N ASN A 12 8.505 29.418 -11.162 1.00 0.00 N ATOM 180 CA ASN A 12 9.406 29.602 -12.289 1.00 0.00 C ATOM 181 C ASN A 12 9.545 28.310 -13.099 1.00 0.00 C ATOM 182 O ASN A 12 8.878 28.157 -14.120 1.00 0.00 O ATOM 183 CB ASN A 12 10.766 30.077 -11.763 1.00 0.00 C ATOM 184 CG ASN A 12 11.762 30.268 -12.901 1.00 0.00 C ATOM 185 OD1 ASN A 12 11.479 30.972 -13.865 1.00 0.00 O ATOM 186 ND2 ASN A 12 12.933 29.638 -12.793 1.00 0.00 N ATOM 0 H ASN A 12 8.513 28.479 -10.764 1.00 0.00 H new ATOM 0 HA ASN A 12 8.997 30.356 -12.961 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.642 31.016 -11.223 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.158 29.350 -11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 12 13.633 29.733 -13.529 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.129 29.062 -11.974 1.00 0.00 H new ATOM 193 N VAL A 13 10.420 27.385 -12.657 1.00 0.00 N ATOM 194 CA VAL A 13 10.673 26.150 -13.393 1.00 0.00 C ATOM 195 C VAL A 13 10.829 24.966 -12.436 1.00 0.00 C ATOM 196 O VAL A 13 9.997 24.061 -12.439 1.00 0.00 O ATOM 197 CB VAL A 13 11.942 26.321 -14.254 1.00 0.00 C ATOM 198 CG1 VAL A 13 12.279 25.001 -14.954 1.00 0.00 C ATOM 199 CG2 VAL A 13 11.710 27.399 -15.320 1.00 0.00 C ATOM 0 H VAL A 13 10.958 27.478 -11.795 1.00 0.00 H new ATOM 0 HA VAL A 13 9.821 25.942 -14.041 1.00 0.00 H new ATOM 0 HB VAL A 13 12.766 26.616 -13.604 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.176 25.129 -15.560 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.454 24.227 -14.207 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.448 24.706 -15.594 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.610 27.514 -15.924 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.879 27.104 -15.961 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.476 28.346 -14.834 1.00 0.00 H new ATOM 209 N SER A 14 11.905 24.966 -11.630 1.00 0.00 N ATOM 210 CA SER A 14 12.191 23.860 -10.724 1.00 0.00 C ATOM 211 C SER A 14 12.523 24.373 -9.328 1.00 0.00 C ATOM 212 O SER A 14 12.662 25.579 -9.111 1.00 0.00 O ATOM 213 CB SER A 14 13.355 23.039 -11.287 1.00 0.00 C ATOM 214 OG SER A 14 12.964 22.438 -12.503 1.00 0.00 O ATOM 0 H SER A 14 12.586 25.724 -11.594 1.00 0.00 H new ATOM 0 HA SER A 14 11.307 23.228 -10.642 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.221 23.680 -11.448 1.00 0.00 H new ATOM 0 HB3 SER A 14 13.654 22.274 -10.571 1.00 0.00 H new ATOM 0 HG SER A 14 13.710 21.914 -12.864 1.00 0.00 H new ATOM 220 N THR A 15 12.648 23.433 -8.380 1.00 0.00 N ATOM 221 CA THR A 15 12.935 23.735 -6.985 1.00 0.00 C ATOM 222 C THR A 15 14.187 24.600 -6.847 1.00 0.00 C ATOM 223 O THR A 15 14.274 25.400 -5.926 1.00 0.00 O ATOM 224 CB THR A 15 13.108 22.420 -6.219 1.00 0.00 C ATOM 225 OG1 THR A 15 14.095 21.633 -6.853 1.00 0.00 O ATOM 226 CG2 THR A 15 11.784 21.650 -6.199 1.00 0.00 C ATOM 0 H THR A 15 12.550 22.436 -8.570 1.00 0.00 H new ATOM 0 HA THR A 15 12.102 24.301 -6.568 1.00 0.00 H new ATOM 0 HB THR A 15 13.413 22.640 -5.196 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.208 20.792 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.915 20.716 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.020 22.253 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.474 21.432 -7.221 1.00 0.00 H new ATOM 234 N THR A 16 15.156 24.434 -7.757 1.00 0.00 N ATOM 235 CA THR A 16 16.403 25.191 -7.709 1.00 0.00 C ATOM 236 C THR A 16 16.128 26.689 -7.542 1.00 0.00 C ATOM 237 O THR A 16 16.779 27.343 -6.730 1.00 0.00 O ATOM 238 CB THR A 16 17.233 24.891 -8.974 1.00 0.00 C ATOM 239 OG1 THR A 16 18.536 25.415 -8.818 1.00 0.00 O ATOM 240 CG2 THR A 16 16.583 25.508 -10.217 1.00 0.00 C ATOM 0 H THR A 16 15.095 23.778 -8.536 1.00 0.00 H new ATOM 0 HA THR A 16 16.983 24.882 -6.839 1.00 0.00 H new ATOM 0 HB THR A 16 17.278 23.810 -9.107 1.00 0.00 H new ATOM 0 HG1 THR A 16 18.494 26.394 -8.789 1.00 0.00 H new ATOM 0 HG21 THR A 16 17.188 25.281 -11.095 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.584 25.093 -10.349 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.514 26.589 -10.093 1.00 0.00 H new ATOM 248 N THR A 17 15.164 27.231 -8.303 1.00 0.00 N ATOM 249 CA THR A 17 14.837 28.649 -8.246 1.00 0.00 C ATOM 250 C THR A 17 14.448 29.068 -6.828 1.00 0.00 C ATOM 251 O THR A 17 14.659 30.220 -6.454 1.00 0.00 O ATOM 252 CB THR A 17 13.700 28.944 -9.234 1.00 0.00 C ATOM 253 OG1 THR A 17 13.963 28.290 -10.460 1.00 0.00 O ATOM 254 CG2 THR A 17 13.606 30.451 -9.477 1.00 0.00 C ATOM 0 H THR A 17 14.600 26.699 -8.965 1.00 0.00 H new ATOM 0 HA THR A 17 15.717 29.228 -8.525 1.00 0.00 H new ATOM 0 HB THR A 17 12.759 28.584 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.238 27.661 -10.657 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.798 30.657 -10.179 1.00 0.00 H new ATOM 0 HG22 THR A 17 13.406 30.960 -8.534 1.00 0.00 H new ATOM 0 HG23 THR A 17 14.547 30.812 -9.892 1.00 0.00 H new ATOM 262 N VAL A 18 13.893 28.135 -6.049 1.00 0.00 N ATOM 263 CA VAL A 18 13.496 28.400 -4.675 1.00 0.00 C ATOM 264 C VAL A 18 14.673 28.136 -3.739 1.00 0.00 C ATOM 265 O VAL A 18 14.850 28.849 -2.757 1.00 0.00 O ATOM 266 CB VAL A 18 12.303 27.500 -4.309 1.00 0.00 C ATOM 267 CG1 VAL A 18 11.795 27.854 -2.904 1.00 0.00 C ATOM 268 CG2 VAL A 18 11.170 27.695 -5.321 1.00 0.00 C ATOM 0 H VAL A 18 13.709 27.180 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 18 13.198 29.443 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 18 12.629 26.460 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.950 27.213 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.595 27.703 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.479 28.897 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.330 27.054 -5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.849 28.737 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.524 27.433 -6.318 1.00 0.00 H new ATOM 278 N SER A 19 15.468 27.102 -4.045 1.00 0.00 N ATOM 279 CA SER A 19 16.591 26.705 -3.208 1.00 0.00 C ATOM 280 C SER A 19 17.553 27.866 -3.024 1.00 0.00 C ATOM 281 O SER A 19 17.993 28.131 -1.904 1.00 0.00 O ATOM 282 CB SER A 19 17.303 25.510 -3.846 1.00 0.00 C ATOM 283 OG SER A 19 16.379 24.466 -4.062 1.00 0.00 O ATOM 0 H SER A 19 15.346 26.524 -4.877 1.00 0.00 H new ATOM 0 HA SER A 19 16.221 26.416 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.758 25.807 -4.791 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.110 25.167 -3.198 1.00 0.00 H new ATOM 0 HG SER A 19 15.774 24.711 -4.793 1.00 0.00 H new ATOM 289 N HIS A 20 17.882 28.562 -4.119 1.00 0.00 N ATOM 290 CA HIS A 20 18.802 29.683 -4.053 1.00 0.00 C ATOM 291 C HIS A 20 18.303 30.713 -3.051 1.00 0.00 C ATOM 292 O HIS A 20 19.073 31.245 -2.286 1.00 0.00 O ATOM 293 CB HIS A 20 18.949 30.338 -5.424 1.00 0.00 C ATOM 294 CG HIS A 20 19.246 29.372 -6.527 1.00 0.00 C ATOM 295 ND1 HIS A 20 20.319 28.489 -6.502 1.00 0.00 N ATOM 296 CD2 HIS A 20 18.626 29.143 -7.716 1.00 0.00 C ATOM 297 CE1 HIS A 20 20.273 27.793 -7.656 1.00 0.00 C ATOM 298 NE2 HIS A 20 19.255 28.146 -8.447 1.00 0.00 N ATOM 0 H HIS A 20 17.522 28.363 -5.053 1.00 0.00 H new ATOM 0 HA HIS A 20 19.774 29.308 -3.733 1.00 0.00 H new ATOM 0 HB2 HIS A 20 18.030 30.874 -5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 20 19.747 31.079 -5.378 1.00 0.00 H new ATOM 0 HD1 HIS A 20 21.007 28.387 -5.756 1.00 0.00 H new ATOM 0 HD2 HIS A 20 17.748 29.675 -8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 20 20.988 27.026 -7.915 1.00 0.00 H new ATOM 306 N VAL A 21 17.010 31.009 -3.063 1.00 0.00 N ATOM 307 CA VAL A 21 16.457 32.044 -2.194 1.00 0.00 C ATOM 308 C VAL A 21 16.718 31.761 -0.716 1.00 0.00 C ATOM 309 O VAL A 21 16.813 32.698 0.075 1.00 0.00 O ATOM 310 CB VAL A 21 14.948 32.191 -2.452 1.00 0.00 C ATOM 311 CG1 VAL A 21 14.446 33.522 -1.894 1.00 0.00 C ATOM 312 CG2 VAL A 21 14.674 32.155 -3.948 1.00 0.00 C ATOM 0 H VAL A 21 16.325 30.549 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 21 16.963 32.979 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 21 14.431 31.368 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.376 33.615 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.630 33.559 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.973 34.343 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.603 32.260 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.204 32.974 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.018 31.206 -4.358 1.00 0.00 H new ATOM 322 N ILE A 22 16.817 30.490 -0.332 1.00 0.00 N ATOM 323 CA ILE A 22 16.984 30.142 1.073 1.00 0.00 C ATOM 324 C ILE A 22 18.436 30.308 1.549 1.00 0.00 C ATOM 325 O ILE A 22 18.655 30.573 2.730 1.00 0.00 O ATOM 326 CB ILE A 22 16.502 28.701 1.325 1.00 0.00 C ATOM 327 CG1 ILE A 22 15.258 28.398 0.473 1.00 0.00 C ATOM 328 CG2 ILE A 22 16.158 28.543 2.811 1.00 0.00 C ATOM 329 CD1 ILE A 22 14.633 27.064 0.890 1.00 0.00 C ATOM 0 H ILE A 22 16.785 29.693 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 22 16.374 30.836 1.652 1.00 0.00 H new ATOM 0 HB ILE A 22 17.293 28.003 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 22 14.528 29.199 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 22 15.532 28.364 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 22 15.816 27.525 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.044 28.745 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 22 15.370 29.246 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.754 26.866 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 22 15.359 26.263 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 22 14.340 27.112 1.939 1.00 0.00 H new ATOM 341 N ASN A 23 19.430 30.140 0.657 1.00 0.00 N ATOM 342 CA ASN A 23 20.843 30.188 1.069 1.00 0.00 C ATOM 343 C ASN A 23 21.601 31.341 0.402 1.00 0.00 C ATOM 344 O ASN A 23 22.509 31.909 1.008 1.00 0.00 O ATOM 345 CB ASN A 23 21.510 28.845 0.742 1.00 0.00 C ATOM 346 CG ASN A 23 21.751 28.684 -0.759 1.00 0.00 C ATOM 347 OD1 ASN A 23 22.840 28.972 -1.247 1.00 0.00 O ATOM 348 ND2 ASN A 23 20.736 28.222 -1.488 1.00 0.00 N ATOM 0 H ASN A 23 19.284 29.972 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 23 20.878 30.368 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 23 22.459 28.771 1.273 1.00 0.00 H new ATOM 0 HB3 ASN A 23 20.881 28.030 1.099 1.00 0.00 H new ATOM 0 HD21 ASN A 23 20.847 28.095 -2.494 1.00 0.00 H new ATOM 0 HD22 ASN A 23 19.848 27.995 -1.040 1.00 0.00 H new ATOM 355 N LYS A 24 21.238 31.670 -0.835 1.00 0.00 N ATOM 356 CA LYS A 24 21.900 32.711 -1.621 1.00 0.00 C ATOM 357 C LYS A 24 21.307 32.699 -3.031 1.00 0.00 C ATOM 358 O LYS A 24 21.634 31.826 -3.835 1.00 0.00 O ATOM 359 CB LYS A 24 23.424 32.475 -1.668 1.00 0.00 C ATOM 360 CG LYS A 24 24.153 33.636 -0.976 1.00 0.00 C ATOM 361 CD LYS A 24 25.651 33.318 -0.860 1.00 0.00 C ATOM 362 CE LYS A 24 25.987 32.855 0.564 1.00 0.00 C ATOM 363 NZ LYS A 24 25.267 31.619 0.915 1.00 0.00 N ATOM 0 H LYS A 24 20.468 31.217 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 24 21.735 33.684 -1.158 1.00 0.00 H new ATOM 0 HB2 LYS A 24 23.671 31.534 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.756 32.390 -2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 24 24.011 34.556 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 24 23.730 33.804 0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.922 32.542 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.238 34.202 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.061 32.688 0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 24 25.729 33.641 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 25.696 31.196 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 24.269 31.841 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 25.327 30.946 0.125 1.00 0.00 H new ATOM 377 N THR A 25 20.427 33.667 -3.308 1.00 0.00 N ATOM 378 CA THR A 25 19.726 33.774 -4.591 1.00 0.00 C ATOM 379 C THR A 25 20.670 33.663 -5.792 1.00 0.00 C ATOM 380 O THR A 25 20.267 33.151 -6.837 1.00 0.00 O ATOM 381 CB THR A 25 18.993 35.110 -4.668 1.00 0.00 C ATOM 382 OG1 THR A 25 19.911 36.171 -4.489 1.00 0.00 O ATOM 383 CG2 THR A 25 17.909 35.192 -3.590 1.00 0.00 C ATOM 0 H THR A 25 20.180 34.402 -2.645 1.00 0.00 H new ATOM 0 HA THR A 25 19.025 32.941 -4.637 1.00 0.00 H new ATOM 0 HB THR A 25 18.524 35.190 -5.649 1.00 0.00 H new ATOM 0 HG1 THR A 25 19.436 37.027 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 25 17.397 36.152 -3.661 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.190 34.386 -3.735 1.00 0.00 H new ATOM 0 HG23 THR A 25 18.367 35.097 -2.605 1.00 0.00 H new ATOM 391 N ARG A 26 21.910 34.158 -5.653 1.00 0.00 N ATOM 392 CA ARG A 26 22.880 34.165 -6.748 1.00 0.00 C ATOM 393 C ARG A 26 22.487 35.266 -7.747 1.00 0.00 C ATOM 394 O ARG A 26 21.700 36.151 -7.412 1.00 0.00 O ATOM 395 CB ARG A 26 22.954 32.771 -7.417 1.00 0.00 C ATOM 396 CG ARG A 26 24.412 32.285 -7.489 1.00 0.00 C ATOM 397 CD ARG A 26 24.973 32.035 -6.079 1.00 0.00 C ATOM 398 NE ARG A 26 24.002 31.325 -5.230 1.00 0.00 N ATOM 399 CZ ARG A 26 23.973 29.990 -5.073 1.00 0.00 C ATOM 400 NH1 ARG A 26 24.786 29.201 -5.790 1.00 0.00 N ATOM 401 NH2 ARG A 26 23.122 29.448 -4.192 1.00 0.00 N ATOM 0 H ARG A 26 22.262 34.560 -4.784 1.00 0.00 H new ATOM 0 HA ARG A 26 23.878 34.382 -6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 26 22.354 32.058 -6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 26 22.531 32.820 -8.420 1.00 0.00 H new ATOM 0 HG2 ARG A 26 24.466 31.368 -8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 26 25.023 33.028 -8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 26 25.891 31.452 -6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 26 25.235 32.987 -5.616 1.00 0.00 H new ATOM 0 HE ARG A 26 23.308 31.881 -4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 26 25.434 29.612 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 26 24.757 28.189 -5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 26 22.502 30.047 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 26 23.093 28.436 -4.067 1.00 0.00 H new ATOM 415 N PHE A 27 23.041 35.226 -8.966 1.00 0.00 N ATOM 416 CA PHE A 27 22.760 36.248 -9.969 1.00 0.00 C ATOM 417 C PHE A 27 21.407 35.994 -10.639 1.00 0.00 C ATOM 418 O PHE A 27 21.317 35.220 -11.590 1.00 0.00 O ATOM 419 CB PHE A 27 23.887 36.269 -11.007 1.00 0.00 C ATOM 420 CG PHE A 27 23.623 37.188 -12.193 1.00 0.00 C ATOM 421 CD1 PHE A 27 22.877 38.378 -12.035 1.00 0.00 C ATOM 422 CD2 PHE A 27 24.132 36.849 -13.461 1.00 0.00 C ATOM 423 CE1 PHE A 27 22.643 39.214 -13.141 1.00 0.00 C ATOM 424 CE2 PHE A 27 23.897 37.688 -14.564 1.00 0.00 C ATOM 425 CZ PHE A 27 23.152 38.869 -14.405 1.00 0.00 C ATOM 0 H PHE A 27 23.684 34.497 -9.276 1.00 0.00 H new ATOM 0 HA PHE A 27 22.709 37.221 -9.481 1.00 0.00 H new ATOM 0 HB2 PHE A 27 24.811 36.580 -10.519 1.00 0.00 H new ATOM 0 HB3 PHE A 27 24.047 35.255 -11.375 1.00 0.00 H new ATOM 0 HD1 PHE A 27 22.486 38.645 -11.064 1.00 0.00 H new ATOM 0 HD2 PHE A 27 24.705 35.942 -13.587 1.00 0.00 H new ATOM 0 HE1 PHE A 27 22.072 40.122 -13.019 1.00 0.00 H new ATOM 0 HE2 PHE A 27 24.290 37.425 -15.535 1.00 0.00 H new ATOM 0 HZ PHE A 27 22.971 39.511 -15.254 1.00 0.00 H new ATOM 435 N VAL A 28 20.364 36.668 -10.140 1.00 0.00 N ATOM 436 CA VAL A 28 19.021 36.590 -10.705 1.00 0.00 C ATOM 437 C VAL A 28 18.321 37.918 -10.474 1.00 0.00 C ATOM 438 O VAL A 28 18.616 38.613 -9.502 1.00 0.00 O ATOM 439 CB VAL A 28 18.204 35.452 -10.059 1.00 0.00 C ATOM 440 CG1 VAL A 28 18.562 34.116 -10.723 1.00 0.00 C ATOM 441 CG2 VAL A 28 18.503 35.373 -8.556 1.00 0.00 C ATOM 0 H VAL A 28 20.433 37.284 -9.330 1.00 0.00 H new ATOM 0 HA VAL A 28 19.099 36.378 -11.771 1.00 0.00 H new ATOM 0 HB VAL A 28 17.143 35.657 -10.201 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.983 33.315 -10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.332 34.166 -11.787 1.00 0.00 H new ATOM 0 HG13 VAL A 28 19.625 33.917 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.921 34.566 -8.111 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.565 35.179 -8.406 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.236 36.317 -8.082 1.00 0.00 H new ATOM 451 N ALA A 29 17.395 38.270 -11.361 1.00 0.00 N ATOM 452 CA ALA A 29 16.646 39.501 -11.230 1.00 0.00 C ATOM 453 C ALA A 29 15.692 39.383 -10.042 1.00 0.00 C ATOM 454 O ALA A 29 15.283 38.275 -9.681 1.00 0.00 O ATOM 455 CB ALA A 29 15.873 39.771 -12.522 1.00 0.00 C ATOM 0 H ALA A 29 17.150 37.713 -12.179 1.00 0.00 H new ATOM 0 HA ALA A 29 17.325 40.335 -11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.309 40.699 -12.422 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.573 39.860 -13.353 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.185 38.947 -12.713 1.00 0.00 H new ATOM 461 N GLU A 30 15.338 40.521 -9.442 1.00 0.00 N ATOM 462 CA GLU A 30 14.428 40.550 -8.304 1.00 0.00 C ATOM 463 C GLU A 30 13.123 39.846 -8.670 1.00 0.00 C ATOM 464 O GLU A 30 12.503 39.202 -7.825 1.00 0.00 O ATOM 465 CB GLU A 30 14.153 42.006 -7.900 1.00 0.00 C ATOM 466 CG GLU A 30 15.400 42.631 -7.247 1.00 0.00 C ATOM 467 CD GLU A 30 16.494 42.947 -8.271 1.00 0.00 C ATOM 468 OE1 GLU A 30 16.136 43.132 -9.456 1.00 0.00 O ATOM 469 OE2 GLU A 30 17.665 42.995 -7.845 1.00 0.00 O ATOM 0 H GLU A 30 15.673 41.440 -9.731 1.00 0.00 H new ATOM 0 HA GLU A 30 14.883 40.030 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.867 42.585 -8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.314 42.044 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.116 43.546 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.795 41.948 -6.495 1.00 0.00 H new ATOM 476 N GLU A 31 12.713 39.968 -9.938 1.00 0.00 N ATOM 477 CA GLU A 31 11.490 39.356 -10.429 1.00 0.00 C ATOM 478 C GLU A 31 11.474 37.852 -10.127 1.00 0.00 C ATOM 479 O GLU A 31 10.438 37.316 -9.731 1.00 0.00 O ATOM 480 CB GLU A 31 11.379 39.610 -11.936 1.00 0.00 C ATOM 481 CG GLU A 31 10.012 39.149 -12.446 1.00 0.00 C ATOM 482 CD GLU A 31 9.822 39.538 -13.907 1.00 0.00 C ATOM 483 OE1 GLU A 31 10.480 38.896 -14.753 1.00 0.00 O ATOM 484 OE2 GLU A 31 9.023 40.468 -14.149 1.00 0.00 O ATOM 0 H GLU A 31 13.225 40.495 -10.646 1.00 0.00 H new ATOM 0 HA GLU A 31 10.633 39.800 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.515 40.671 -12.145 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.171 39.077 -12.462 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.924 38.068 -12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.223 39.595 -11.840 1.00 0.00 H new ATOM 491 N THR A 32 12.615 37.163 -10.314 1.00 0.00 N ATOM 492 CA THR A 32 12.679 35.731 -10.090 1.00 0.00 C ATOM 493 C THR A 32 12.475 35.417 -8.602 1.00 0.00 C ATOM 494 O THR A 32 12.084 34.306 -8.255 1.00 0.00 O ATOM 495 CB THR A 32 14.028 35.204 -10.595 1.00 0.00 C ATOM 496 OG1 THR A 32 14.411 35.914 -11.757 1.00 0.00 O ATOM 497 CG2 THR A 32 13.906 33.717 -10.933 1.00 0.00 C ATOM 0 H THR A 32 13.493 37.584 -10.618 1.00 0.00 H new ATOM 0 HA THR A 32 11.882 35.233 -10.642 1.00 0.00 H new ATOM 0 HB THR A 32 14.779 35.342 -9.817 1.00 0.00 H new ATOM 0 HG1 THR A 32 15.274 35.577 -12.077 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.866 33.345 -11.292 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.613 33.164 -10.041 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.152 33.581 -11.708 1.00 0.00 H new ATOM 505 N ARG A 33 12.742 36.396 -7.722 1.00 0.00 N ATOM 506 CA ARG A 33 12.580 36.214 -6.286 1.00 0.00 C ATOM 507 C ARG A 33 11.139 36.486 -5.889 1.00 0.00 C ATOM 508 O ARG A 33 10.539 35.706 -5.149 1.00 0.00 O ATOM 509 CB ARG A 33 13.522 37.158 -5.527 1.00 0.00 C ATOM 510 CG ARG A 33 14.946 37.061 -6.079 1.00 0.00 C ATOM 511 CD ARG A 33 15.458 35.620 -5.983 1.00 0.00 C ATOM 512 NE ARG A 33 15.493 34.971 -7.303 1.00 0.00 N ATOM 513 CZ ARG A 33 15.230 33.663 -7.505 1.00 0.00 C ATOM 514 NH1 ARG A 33 14.389 33.006 -6.704 1.00 0.00 N ATOM 515 NH2 ARG A 33 15.818 33.015 -8.512 1.00 0.00 N ATOM 0 H ARG A 33 13.072 37.323 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 33 12.830 35.185 -6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.163 38.184 -5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.520 36.906 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.964 37.392 -7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.605 37.726 -5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.457 35.616 -5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.816 35.049 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 33 15.730 35.544 -8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.937 33.492 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.198 32.017 -6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.465 33.508 -9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.621 32.026 -8.667 1.00 0.00 H new ATOM 529 N ASN A 34 10.581 37.598 -6.381 1.00 0.00 N ATOM 530 CA ASN A 34 9.208 37.968 -6.087 1.00 0.00 C ATOM 531 C ASN A 34 8.282 36.813 -6.447 1.00 0.00 C ATOM 532 O ASN A 34 7.378 36.489 -5.689 1.00 0.00 O ATOM 533 CB ASN A 34 8.830 39.226 -6.877 1.00 0.00 C ATOM 534 CG ASN A 34 9.542 40.459 -6.329 1.00 0.00 C ATOM 535 OD1 ASN A 34 10.409 41.022 -6.988 1.00 0.00 O ATOM 536 ND2 ASN A 34 9.169 40.879 -5.119 1.00 0.00 N ATOM 0 H ASN A 34 11.070 38.256 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 34 9.106 38.182 -5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.089 39.090 -7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.751 39.376 -6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.610 41.701 -4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.443 40.379 -4.607 1.00 0.00 H new ATOM 543 N ALA A 35 8.518 36.196 -7.611 1.00 0.00 N ATOM 544 CA ALA A 35 7.705 35.087 -8.080 1.00 0.00 C ATOM 545 C ALA A 35 7.706 33.931 -7.074 1.00 0.00 C ATOM 546 O ALA A 35 6.663 33.327 -6.834 1.00 0.00 O ATOM 547 CB ALA A 35 8.238 34.616 -9.434 1.00 0.00 C ATOM 0 H ALA A 35 9.274 36.455 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 35 6.675 35.426 -8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.633 33.783 -9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.188 35.436 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.273 34.292 -9.325 1.00 0.00 H new ATOM 553 N VAL A 36 8.870 33.618 -6.489 1.00 0.00 N ATOM 554 CA VAL A 36 8.985 32.509 -5.554 1.00 0.00 C ATOM 555 C VAL A 36 8.184 32.792 -4.286 1.00 0.00 C ATOM 556 O VAL A 36 7.310 32.007 -3.919 1.00 0.00 O ATOM 557 CB VAL A 36 10.468 32.266 -5.230 1.00 0.00 C ATOM 558 CG1 VAL A 36 10.598 31.356 -4.003 1.00 0.00 C ATOM 559 CG2 VAL A 36 11.145 31.597 -6.430 1.00 0.00 C ATOM 0 H VAL A 36 9.742 34.122 -6.652 1.00 0.00 H new ATOM 0 HA VAL A 36 8.573 31.608 -6.009 1.00 0.00 H new ATOM 0 HB VAL A 36 10.948 33.221 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.653 31.191 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.118 31.829 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.116 30.400 -4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.197 31.423 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.657 30.645 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.064 32.246 -7.302 1.00 0.00 H new ATOM 569 N TRP A 37 8.483 33.902 -3.609 1.00 0.00 N ATOM 570 CA TRP A 37 7.817 34.232 -2.357 1.00 0.00 C ATOM 571 C TRP A 37 6.328 34.506 -2.591 1.00 0.00 C ATOM 572 O TRP A 37 5.508 34.236 -1.713 1.00 0.00 O ATOM 573 CB TRP A 37 8.525 35.418 -1.697 1.00 0.00 C ATOM 574 CG TRP A 37 9.831 35.055 -1.049 1.00 0.00 C ATOM 575 CD1 TRP A 37 11.029 35.609 -1.319 1.00 0.00 C ATOM 576 CD2 TRP A 37 10.100 34.039 -0.028 1.00 0.00 C ATOM 577 NE1 TRP A 37 12.021 35.031 -0.558 1.00 0.00 N ATOM 578 CE2 TRP A 37 11.503 34.045 0.262 1.00 0.00 C ATOM 579 CE3 TRP A 37 9.306 33.108 0.686 1.00 0.00 C ATOM 580 CZ2 TRP A 37 12.081 33.175 1.195 1.00 0.00 C ATOM 581 CZ3 TRP A 37 9.886 32.233 1.630 1.00 0.00 C ATOM 582 CH2 TRP A 37 11.269 32.266 1.882 1.00 0.00 C ATOM 0 H TRP A 37 9.180 34.583 -3.909 1.00 0.00 H new ATOM 0 HA TRP A 37 7.878 33.382 -1.677 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.703 36.188 -2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 37 7.865 35.852 -0.946 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.190 36.400 -2.036 1.00 0.00 H new ATOM 0 HE1 TRP A 37 13.006 35.295 -0.594 1.00 0.00 H new ATOM 0 HE3 TRP A 37 8.242 33.067 0.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.144 33.206 1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 9.262 31.532 2.164 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.704 31.591 2.604 1.00 0.00 H new ATOM 593 N ALA A 38 5.971 35.026 -3.770 1.00 0.00 N ATOM 594 CA ALA A 38 4.578 35.270 -4.103 1.00 0.00 C ATOM 595 C ALA A 38 3.852 33.933 -4.231 1.00 0.00 C ATOM 596 O ALA A 38 2.812 33.736 -3.618 1.00 0.00 O ATOM 597 CB ALA A 38 4.484 36.064 -5.407 1.00 0.00 C ATOM 0 H ALA A 38 6.632 35.283 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 38 4.107 35.856 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.436 36.243 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.997 37.018 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.951 35.497 -6.212 1.00 0.00 H new ATOM 603 N ALA A 39 4.416 33.013 -5.029 1.00 0.00 N ATOM 604 CA ALA A 39 3.830 31.694 -5.235 1.00 0.00 C ATOM 605 C ALA A 39 3.685 30.962 -3.899 1.00 0.00 C ATOM 606 O ALA A 39 2.668 30.311 -3.654 1.00 0.00 O ATOM 607 CB ALA A 39 4.718 30.897 -6.189 1.00 0.00 C ATOM 0 H ALA A 39 5.284 33.167 -5.542 1.00 0.00 H new ATOM 0 HA ALA A 39 2.837 31.801 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.286 29.909 -6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.789 31.420 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.714 30.793 -5.758 1.00 0.00 H new ATOM 613 N ILE A 40 4.705 31.071 -3.040 1.00 0.00 N ATOM 614 CA ILE A 40 4.705 30.433 -1.730 1.00 0.00 C ATOM 615 C ILE A 40 3.458 30.834 -0.945 1.00 0.00 C ATOM 616 O ILE A 40 2.756 29.980 -0.420 1.00 0.00 O ATOM 617 CB ILE A 40 5.983 30.845 -0.973 1.00 0.00 C ATOM 618 CG1 ILE A 40 7.165 29.965 -1.421 1.00 0.00 C ATOM 619 CG2 ILE A 40 5.777 30.723 0.545 1.00 0.00 C ATOM 620 CD1 ILE A 40 7.108 28.593 -0.741 1.00 0.00 C ATOM 0 H ILE A 40 5.551 31.605 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 40 4.691 29.350 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 40 6.205 31.886 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.142 29.841 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.105 30.459 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.691 31.018 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.959 31.373 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.535 29.691 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.952 27.988 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.155 28.721 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.177 28.093 -1.007 1.00 0.00 H new ATOM 632 N LYS A 41 3.195 32.137 -0.863 1.00 0.00 N ATOM 633 CA LYS A 41 2.066 32.654 -0.112 1.00 0.00 C ATOM 634 C LYS A 41 0.764 32.388 -0.865 1.00 0.00 C ATOM 635 O LYS A 41 -0.278 32.172 -0.249 1.00 0.00 O ATOM 636 CB LYS A 41 2.274 34.160 0.105 1.00 0.00 C ATOM 637 CG LYS A 41 1.296 34.698 1.160 1.00 0.00 C ATOM 638 CD LYS A 41 1.812 34.376 2.570 1.00 0.00 C ATOM 639 CE LYS A 41 0.828 34.898 3.622 1.00 0.00 C ATOM 640 NZ LYS A 41 0.780 36.372 3.629 1.00 0.00 N ATOM 0 H LYS A 41 3.759 32.857 -1.315 1.00 0.00 H new ATOM 0 HA LYS A 41 1.998 32.154 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.299 34.348 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.130 34.691 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.180 35.776 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.311 34.254 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.939 33.299 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.792 34.830 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.167 34.501 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.122 34.537 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.269 36.699 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.748 36.751 3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.288 36.707 2.776 1.00 0.00 H new ATOM 654 N GLU A 42 0.828 32.414 -2.199 1.00 0.00 N ATOM 655 CA GLU A 42 -0.340 32.229 -3.035 1.00 0.00 C ATOM 656 C GLU A 42 -0.927 30.826 -2.853 1.00 0.00 C ATOM 657 O GLU A 42 -2.065 30.681 -2.410 1.00 0.00 O ATOM 658 CB GLU A 42 0.051 32.471 -4.499 1.00 0.00 C ATOM 659 CG GLU A 42 -1.185 32.412 -5.401 1.00 0.00 C ATOM 660 CD GLU A 42 -0.776 32.386 -6.868 1.00 0.00 C ATOM 661 OE1 GLU A 42 -0.516 33.482 -7.410 1.00 0.00 O ATOM 662 OE2 GLU A 42 -0.724 31.269 -7.423 1.00 0.00 O ATOM 0 H GLU A 42 1.692 32.564 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.109 32.944 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.534 33.443 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.776 31.722 -4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.772 31.524 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.823 33.275 -5.211 1.00 0.00 H new ATOM 669 N LEU A 43 -0.153 29.796 -3.214 1.00 0.00 N ATOM 670 CA LEU A 43 -0.619 28.415 -3.156 1.00 0.00 C ATOM 671 C LEU A 43 -0.463 27.830 -1.754 1.00 0.00 C ATOM 672 O LEU A 43 -1.126 26.848 -1.432 1.00 0.00 O ATOM 673 CB LEU A 43 0.173 27.573 -4.165 1.00 0.00 C ATOM 674 CG LEU A 43 0.013 28.128 -5.589 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.813 27.253 -6.559 1.00 0.00 C ATOM 676 CD2 LEU A 43 -1.463 28.120 -6.005 1.00 0.00 C ATOM 0 H LEU A 43 0.804 29.899 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.680 28.398 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.228 27.566 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.172 26.540 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 43 0.381 29.154 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.705 27.640 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.866 27.265 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.439 26.230 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.558 28.516 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.843 27.099 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.038 28.739 -5.317 1.00 0.00 H new ATOM 688 N HIS A 44 0.417 28.423 -0.927 1.00 0.00 N ATOM 689 CA HIS A 44 0.689 27.943 0.425 1.00 0.00 C ATOM 690 C HIS A 44 1.529 26.667 0.344 1.00 0.00 C ATOM 691 O HIS A 44 1.286 25.804 -0.496 1.00 0.00 O ATOM 692 CB HIS A 44 -0.623 27.733 1.219 1.00 0.00 C ATOM 693 CG HIS A 44 -0.846 26.302 1.651 1.00 0.00 C ATOM 694 ND1 HIS A 44 -0.158 25.722 2.712 1.00 0.00 N ATOM 695 CD2 HIS A 44 -1.676 25.310 1.188 1.00 0.00 C ATOM 696 CE1 HIS A 44 -0.601 24.454 2.818 1.00 0.00 C ATOM 697 NE2 HIS A 44 -1.533 24.138 1.917 1.00 0.00 N ATOM 0 H HIS A 44 0.956 29.249 -1.185 1.00 0.00 H new ATOM 0 HA HIS A 44 1.258 28.695 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.610 28.372 2.102 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.465 28.054 0.605 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.547 26.171 3.297 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.357 25.428 0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.237 23.760 3.561 1.00 0.00 H new ATOM 705 N TYR A 45 2.521 26.559 1.228 1.00 0.00 N ATOM 706 CA TYR A 45 3.404 25.402 1.289 1.00 0.00 C ATOM 707 C TYR A 45 3.381 24.834 2.707 1.00 0.00 C ATOM 708 O TYR A 45 3.328 25.594 3.673 1.00 0.00 O ATOM 709 CB TYR A 45 4.822 25.834 0.894 1.00 0.00 C ATOM 710 CG TYR A 45 5.903 24.869 1.339 1.00 0.00 C ATOM 711 CD1 TYR A 45 5.856 23.522 0.942 1.00 0.00 C ATOM 712 CD2 TYR A 45 6.957 25.321 2.158 1.00 0.00 C ATOM 713 CE1 TYR A 45 6.856 22.628 1.362 1.00 0.00 C ATOM 714 CE2 TYR A 45 7.958 24.427 2.573 1.00 0.00 C ATOM 715 CZ TYR A 45 7.907 23.081 2.176 1.00 0.00 C ATOM 716 OH TYR A 45 8.879 22.214 2.583 1.00 0.00 O ATOM 0 H TYR A 45 2.733 27.275 1.923 1.00 0.00 H new ATOM 0 HA TYR A 45 3.071 24.628 0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.870 25.943 -0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.025 26.815 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.050 23.173 0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.995 26.355 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.816 21.592 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.767 24.775 3.198 1.00 0.00 H new ATOM 0 HH TYR A 45 9.530 22.690 3.139 1.00 0.00 H new ATOM 726 N SER A 46 3.419 23.499 2.828 1.00 0.00 N ATOM 727 CA SER A 46 3.423 22.834 4.121 1.00 0.00 C ATOM 728 C SER A 46 4.835 22.293 4.407 1.00 0.00 C ATOM 729 O SER A 46 5.277 21.363 3.733 1.00 0.00 O ATOM 730 CB SER A 46 2.392 21.699 4.109 1.00 0.00 C ATOM 731 OG SER A 46 1.939 21.456 5.425 1.00 0.00 O ATOM 0 H SER A 46 3.447 22.861 2.032 1.00 0.00 H new ATOM 0 HA SER A 46 3.154 23.537 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.552 21.964 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.837 20.795 3.694 1.00 0.00 H new ATOM 0 HG SER A 46 2.699 21.483 6.043 1.00 0.00 H new ATOM 737 N PRO A 47 5.553 22.874 5.397 1.00 0.00 N ATOM 738 CA PRO A 47 6.897 22.443 5.744 1.00 0.00 C ATOM 739 C PRO A 47 6.875 21.049 6.378 1.00 0.00 C ATOM 740 O PRO A 47 5.832 20.393 6.411 1.00 0.00 O ATOM 741 CB PRO A 47 7.423 23.495 6.731 1.00 0.00 C ATOM 742 CG PRO A 47 6.229 24.374 7.120 1.00 0.00 C ATOM 743 CD PRO A 47 5.072 23.978 6.205 1.00 0.00 C ATOM 0 HA PRO A 47 7.538 22.366 4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.855 23.018 7.611 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.211 24.094 6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.963 24.224 8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.472 25.430 7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.199 23.683 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.768 24.816 5.578 1.00 0.00 H new ATOM 751 N SER A 48 8.038 20.599 6.885 1.00 0.00 N ATOM 752 CA SER A 48 8.160 19.301 7.539 1.00 0.00 C ATOM 753 C SER A 48 7.029 19.118 8.548 1.00 0.00 C ATOM 754 O SER A 48 6.433 18.044 8.630 1.00 0.00 O ATOM 755 CB SER A 48 9.522 19.213 8.231 1.00 0.00 C ATOM 756 OG SER A 48 10.541 19.550 7.311 1.00 0.00 O ATOM 0 H SER A 48 8.909 21.128 6.849 1.00 0.00 H new ATOM 0 HA SER A 48 8.087 18.506 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.552 19.888 9.086 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.682 18.205 8.615 1.00 0.00 H new ATOM 0 HG SER A 48 11.413 19.495 7.754 1.00 0.00 H new ATOM 762 N ALA A 49 6.725 20.181 9.306 1.00 0.00 N ATOM 763 CA ALA A 49 5.631 20.162 10.256 1.00 0.00 C ATOM 764 C ALA A 49 4.321 20.301 9.484 1.00 0.00 C ATOM 765 O ALA A 49 3.805 21.408 9.330 1.00 0.00 O ATOM 766 CB ALA A 49 5.807 21.307 11.258 1.00 0.00 C ATOM 0 H ALA A 49 7.232 21.065 9.270 1.00 0.00 H new ATOM 0 HA ALA A 49 5.618 19.225 10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.985 21.294 11.973 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.751 21.184 11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.810 22.259 10.726 1.00 0.00 H new ATOM 772 N VAL A 50 3.801 19.171 8.989 1.00 0.00 N ATOM 773 CA VAL A 50 2.575 19.146 8.203 1.00 0.00 C ATOM 774 C VAL A 50 1.484 19.951 8.907 1.00 0.00 C ATOM 775 O VAL A 50 1.107 19.639 10.038 1.00 0.00 O ATOM 776 CB VAL A 50 2.131 17.690 7.990 1.00 0.00 C ATOM 777 CG1 VAL A 50 0.805 17.658 7.220 1.00 0.00 C ATOM 778 CG2 VAL A 50 3.196 16.934 7.188 1.00 0.00 C ATOM 0 H VAL A 50 4.223 18.252 9.126 1.00 0.00 H new ATOM 0 HA VAL A 50 2.757 19.601 7.230 1.00 0.00 H new ATOM 0 HB VAL A 50 2.000 17.215 8.962 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.495 16.624 7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.041 18.188 7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.935 18.140 6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.876 15.903 7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.331 17.415 6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.139 16.946 7.734 1.00 0.00 H new ATOM 788 N ALA A 51 0.979 20.989 8.228 1.00 0.00 N ATOM 789 CA ALA A 51 -0.067 21.839 8.773 1.00 0.00 C ATOM 790 C ALA A 51 -1.413 21.127 8.660 1.00 0.00 C ATOM 791 O ALA A 51 -2.261 21.519 7.864 1.00 0.00 O ATOM 792 CB ALA A 51 -0.082 23.167 8.013 1.00 0.00 C ATOM 0 H ALA A 51 1.287 21.255 7.293 1.00 0.00 H new ATOM 0 HA ALA A 51 0.124 22.043 9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.865 23.809 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.884 23.660 8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.276 22.980 6.957 1.00 0.00 H new ATOM 798 N ARG A 52 -1.601 20.075 9.466 1.00 0.00 N ATOM 799 CA ARG A 52 -2.831 19.294 9.464 1.00 0.00 C ATOM 800 C ARG A 52 -4.031 20.191 9.786 1.00 0.00 C ATOM 801 O ARG A 52 -5.128 19.963 9.278 1.00 0.00 O ATOM 802 CB ARG A 52 -2.700 18.161 10.493 1.00 0.00 C ATOM 803 CG ARG A 52 -3.809 17.117 10.295 1.00 0.00 C ATOM 804 CD ARG A 52 -3.479 16.216 9.099 1.00 0.00 C ATOM 805 NE ARG A 52 -4.461 15.131 8.977 1.00 0.00 N ATOM 806 CZ ARG A 52 -4.398 14.189 8.020 1.00 0.00 C ATOM 807 NH1 ARG A 52 -3.407 14.211 7.117 1.00 0.00 N ATOM 808 NH2 ARG A 52 -5.327 13.225 7.970 1.00 0.00 N ATOM 0 H ARG A 52 -0.903 19.747 10.134 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.995 18.864 8.476 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.724 17.685 10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.755 18.571 11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.916 16.513 11.196 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.764 17.616 10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.469 16.808 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.480 15.797 9.218 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.227 15.090 9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.698 14.944 7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.362 13.495 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.080 13.207 8.657 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.281 12.509 7.245 1.00 0.00 H new ATOM 822 N SER A 53 -3.816 21.210 10.628 1.00 0.00 N ATOM 823 CA SER A 53 -4.871 22.137 11.013 1.00 0.00 C ATOM 824 C SER A 53 -5.385 22.901 9.786 1.00 0.00 C ATOM 825 O SER A 53 -6.559 23.261 9.732 1.00 0.00 O ATOM 826 CB SER A 53 -4.325 23.108 12.064 1.00 0.00 C ATOM 827 OG SER A 53 -5.374 23.911 12.560 1.00 0.00 O ATOM 0 H SER A 53 -2.911 21.408 11.055 1.00 0.00 H new ATOM 0 HA SER A 53 -5.708 21.581 11.437 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.862 22.553 12.880 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.550 23.736 11.625 1.00 0.00 H new ATOM 0 HG SER A 53 -5.022 24.530 13.233 1.00 0.00 H new ATOM 833 N LEU A 54 -4.496 23.143 8.804 1.00 0.00 N ATOM 834 CA LEU A 54 -4.839 23.872 7.584 1.00 0.00 C ATOM 835 C LEU A 54 -5.428 25.242 7.943 1.00 0.00 C ATOM 836 O LEU A 54 -4.688 26.142 8.338 1.00 0.00 O ATOM 837 CB LEU A 54 -5.816 23.040 6.725 1.00 0.00 C ATOM 838 CG LEU A 54 -5.142 21.744 6.242 1.00 0.00 C ATOM 839 CD1 LEU A 54 -6.208 20.806 5.674 1.00 0.00 C ATOM 840 CD2 LEU A 54 -4.111 22.056 5.154 1.00 0.00 C ATOM 0 H LEU A 54 -3.524 22.836 8.841 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.938 24.038 6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.706 22.799 7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.145 23.627 5.867 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.636 21.270 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.737 19.885 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.937 20.572 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.711 21.291 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.642 21.130 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.607 22.535 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.350 22.725 5.555 1.00 0.00 H new ATOM 852 N LYS A 55 -6.752 25.396 7.808 1.00 0.00 N ATOM 853 CA LYS A 55 -7.423 26.647 8.118 1.00 0.00 C ATOM 854 C LYS A 55 -8.905 26.371 8.354 1.00 0.00 C ATOM 855 O LYS A 55 -9.489 25.519 7.686 1.00 0.00 O ATOM 856 CB LYS A 55 -7.224 27.634 6.959 1.00 0.00 C ATOM 857 CG LYS A 55 -7.792 29.009 7.336 1.00 0.00 C ATOM 858 CD LYS A 55 -7.538 30.014 6.206 1.00 0.00 C ATOM 859 CE LYS A 55 -6.069 30.456 6.209 1.00 0.00 C ATOM 860 NZ LYS A 55 -5.836 31.520 5.218 1.00 0.00 N ATOM 0 H LYS A 55 -7.376 24.658 7.483 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.002 27.090 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.163 27.722 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.720 27.260 6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.862 28.929 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.329 29.362 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.787 29.563 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.186 30.882 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.795 30.813 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.428 29.602 5.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.835 31.801 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.077 31.169 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.432 32.342 5.445 1.00 0.00 H new ATOM 874 N VAL A 56 -9.505 27.097 9.304 1.00 0.00 N ATOM 875 CA VAL A 56 -10.915 26.949 9.634 1.00 0.00 C ATOM 876 C VAL A 56 -11.546 28.337 9.737 1.00 0.00 C ATOM 877 O VAL A 56 -10.815 29.253 10.182 1.00 0.00 O ATOM 878 CB VAL A 56 -11.055 26.184 10.961 1.00 0.00 C ATOM 879 CG1 VAL A 56 -12.539 25.995 11.295 1.00 0.00 C ATOM 880 CG2 VAL A 56 -10.384 24.811 10.847 1.00 0.00 C ATOM 881 OXT VAL A 56 -12.651 28.495 9.178 1.00 0.00 O ATOM 0 H VAL A 56 -9.022 27.801 9.862 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.428 26.383 8.857 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.572 26.758 11.752 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.634 25.453 12.236 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.018 26.970 11.388 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.022 25.428 10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.488 24.276 11.791 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.860 24.238 10.051 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.326 24.941 10.618 1.00 0.00 H new TER 891 VAL A 56