USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 59 SER OG : rot 180:sc= -0.98 USER MOD Set 2.1: A 46 SER OG : rot 170:sc= -0.186 USER MOD Set 2.2: A 48 MET CE :methyl -168:sc= -3.03! (180deg=-2.63) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -174:sc= -6.05! (180deg=-5.15!) USER MOD Set 3.2: A 52 SER OG : rot 170:sc= -1.24! USER MOD Set 4.1: A 12 THR OG1 : rot -46:sc= 0.285 USER MOD Set 4.2: A 15 HIS : no HD1:sc= -24.7! C(o=-24!,f=-32!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= -2.28! (180deg=-2.52!) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= -0.0045 (180deg=-0.0257) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -22.5! C(o=-22!,f=-15!) USER MOD Single : A 20 THR OG1 : rot 100:sc= -0.169! USER MOD Single : A 24 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.54) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -50:sc= 0.36 USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= -0.0184 (180deg=-4.42!) USER MOD Single : A 30 ASN : amide:sc= -0.0828 X(o=-0.083,f=-0.0037) USER MOD Single : A 31 SER OG : rot 115:sc= -5.19! USER MOD Single : A 34 ASN : amide:sc= -3.91! C(o=-3.9!,f=-7.2!) USER MOD Single : A 41 SER OG : rot -12:sc= 0.693! USER MOD Single : A 43 ASN : amide:sc= 0.483 K(o=0.48,f=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 169:sc= -3.22! (180deg=-4.32!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 62 THR OG1 : rot 133:sc= -9.98! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 74 MET CE :methyl 166:sc= -5.72! (180deg=-5.87!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -4.18! C(o=-4.2!,f=-7.2!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0.729 K(o=0.73,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.233 -11.986 -7.893 1.00 1.00 N ATOM 2 CA MET A 1 -0.587 -11.544 -9.117 1.00 1.00 C ATOM 3 C MET A 1 -1.373 -10.408 -9.773 1.00 1.00 C ATOM 4 O MET A 1 -1.487 -10.352 -10.997 1.00 1.00 O ATOM 5 CB MET A 1 -0.478 -12.719 -10.091 1.00 1.00 C ATOM 6 CG MET A 1 0.865 -13.436 -9.938 1.00 1.00 C ATOM 7 SD MET A 1 1.167 -14.476 -11.357 1.00 1.00 S ATOM 8 CE MET A 1 2.806 -15.065 -10.967 1.00 1.00 C ATOM 0 H1 MET A 1 -0.645 -12.710 -7.432 1.00 1.00 H new ATOM 0 H2 MET A 1 -1.352 -11.176 -7.251 1.00 1.00 H new ATOM 0 H3 MET A 1 -2.165 -12.389 -8.118 1.00 1.00 H new ATOM 0 HA MET A 1 0.408 -11.175 -8.867 1.00 1.00 H new ATOM 0 HB2 MET A 1 -1.292 -13.422 -9.911 1.00 1.00 H new ATOM 0 HB3 MET A 1 -0.588 -12.359 -11.114 1.00 1.00 H new ATOM 0 HG2 MET A 1 1.667 -12.705 -9.835 1.00 1.00 H new ATOM 0 HG3 MET A 1 0.864 -14.038 -9.029 1.00 1.00 H new ATOM 0 HE1 MET A 1 3.150 -15.733 -11.757 1.00 1.00 H new ATOM 0 HE2 MET A 1 3.487 -14.218 -10.886 1.00 1.00 H new ATOM 0 HE3 MET A 1 2.783 -15.604 -10.020 1.00 1.00 H new ATOM 18 N GLU A 2 -1.897 -9.529 -8.931 1.00 1.00 N ATOM 19 CA GLU A 2 -2.670 -8.398 -9.413 1.00 1.00 C ATOM 20 C GLU A 2 -2.260 -7.122 -8.675 1.00 1.00 C ATOM 21 O GLU A 2 -2.207 -7.102 -7.446 1.00 1.00 O ATOM 22 CB GLU A 2 -4.170 -8.657 -9.270 1.00 1.00 C ATOM 23 CG GLU A 2 -4.544 -10.033 -9.824 1.00 1.00 C ATOM 24 CD GLU A 2 -6.007 -10.065 -10.272 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.432 -9.068 -10.895 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.668 -11.085 -9.981 1.00 1.00 O ATOM 0 H GLU A 2 -1.801 -9.578 -7.917 1.00 1.00 H new ATOM 0 HA GLU A 2 -2.459 -8.265 -10.474 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.455 -8.594 -8.220 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.728 -7.884 -9.799 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.897 -10.278 -10.666 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.377 -10.794 -9.061 1.00 1.00 H new ATOM 33 N LYS A 3 -1.982 -6.088 -9.455 1.00 1.00 N ATOM 34 CA LYS A 3 -1.580 -4.811 -8.890 1.00 1.00 C ATOM 35 C LYS A 3 -2.747 -3.826 -8.983 1.00 1.00 C ATOM 36 O LYS A 3 -3.400 -3.729 -10.021 1.00 1.00 O ATOM 37 CB LYS A 3 -0.298 -4.310 -9.558 1.00 1.00 C ATOM 38 CG LYS A 3 -0.519 -2.947 -10.217 1.00 1.00 C ATOM 39 CD LYS A 3 0.762 -2.449 -10.890 1.00 1.00 C ATOM 40 CE LYS A 3 1.866 -2.210 -9.858 1.00 1.00 C ATOM 41 NZ LYS A 3 2.957 -1.401 -10.446 1.00 1.00 N ATOM 0 H LYS A 3 -2.027 -6.108 -10.474 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.340 -4.921 -7.833 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.497 -4.235 -8.816 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.032 -5.031 -10.306 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.317 -3.021 -10.956 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.845 -2.225 -9.468 1.00 1.00 H new ATOM 0 HD2 LYS A 3 1.099 -3.180 -11.625 1.00 1.00 H new ATOM 0 HD3 LYS A 3 0.558 -1.524 -11.430 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.454 -1.699 -8.988 1.00 1.00 H new ATOM 0 HE3 LYS A 3 2.260 -3.165 -9.510 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 3.666 -1.190 -9.715 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 3.405 -1.932 -11.220 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 2.568 -0.511 -10.817 1.00 1.00 H new ATOM 55 N LYS A 4 -2.973 -3.120 -7.885 1.00 1.00 N ATOM 56 CA LYS A 4 -4.050 -2.146 -7.830 1.00 1.00 C ATOM 57 C LYS A 4 -3.469 -0.767 -7.512 1.00 1.00 C ATOM 58 O LYS A 4 -2.981 -0.535 -6.408 1.00 1.00 O ATOM 59 CB LYS A 4 -5.132 -2.599 -6.848 1.00 1.00 C ATOM 60 CG LYS A 4 -6.409 -1.774 -7.020 1.00 1.00 C ATOM 61 CD LYS A 4 -7.135 -2.150 -8.313 1.00 1.00 C ATOM 62 CE LYS A 4 -8.292 -1.188 -8.592 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.897 -1.474 -9.912 1.00 1.00 N ATOM 0 H LYS A 4 -2.429 -3.203 -7.026 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.544 -2.068 -8.799 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.353 -3.655 -7.006 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.765 -2.500 -5.826 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -7.069 -1.937 -6.168 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.161 -0.713 -7.033 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.433 -2.132 -9.147 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.515 -3.169 -8.238 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -9.047 -1.282 -7.811 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.932 -0.159 -8.565 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.680 -0.812 -10.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.178 -1.362 -10.655 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.258 -2.449 -9.924 1.00 1.00 H new ATOM 77 N GLU A 5 -3.541 0.112 -8.501 1.00 1.00 N ATOM 78 CA GLU A 5 -3.028 1.462 -8.341 1.00 1.00 C ATOM 79 C GLU A 5 -4.061 2.342 -7.634 1.00 1.00 C ATOM 80 O GLU A 5 -5.255 2.046 -7.660 1.00 1.00 O ATOM 81 CB GLU A 5 -2.629 2.061 -9.691 1.00 1.00 C ATOM 82 CG GLU A 5 -1.714 1.109 -10.464 1.00 1.00 C ATOM 83 CD GLU A 5 -2.497 0.345 -11.534 1.00 1.00 C ATOM 84 OE1 GLU A 5 -3.651 -0.030 -11.233 1.00 1.00 O ATOM 85 OE2 GLU A 5 -1.924 0.152 -12.628 1.00 1.00 O ATOM 0 H GLU A 5 -3.947 -0.084 -9.416 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.132 1.418 -7.722 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.523 2.269 -10.279 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -2.121 3.013 -9.535 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.908 1.674 -10.932 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.251 0.404 -9.774 1.00 1.00 H new ATOM 92 N PHE A 6 -3.565 3.406 -7.021 1.00 1.00 N ATOM 93 CA PHE A 6 -4.430 4.331 -6.309 1.00 1.00 C ATOM 94 C PHE A 6 -3.770 5.705 -6.173 1.00 1.00 C ATOM 95 O PHE A 6 -2.670 5.921 -6.677 1.00 1.00 O ATOM 96 CB PHE A 6 -4.657 3.747 -4.913 1.00 1.00 C ATOM 97 CG PHE A 6 -5.267 2.344 -4.918 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.617 2.189 -4.985 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.460 1.251 -4.855 1.00 1.00 C ATOM 100 CE1 PHE A 6 -7.183 0.887 -4.989 1.00 1.00 C ATOM 101 CE2 PHE A 6 -5.026 -0.051 -4.859 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.375 -0.206 -4.926 1.00 1.00 C ATOM 0 H PHE A 6 -2.574 3.648 -7.003 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.366 4.459 -6.853 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.705 3.716 -4.384 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.311 4.415 -4.353 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -7.258 3.057 -5.035 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -3.388 1.374 -4.802 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -8.255 0.764 -5.042 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -4.385 -0.919 -4.809 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.805 -1.197 -4.929 1.00 1.00 H new ATOM 112 N HIS A 7 -4.471 6.597 -5.489 1.00 1.00 N ATOM 113 CA HIS A 7 -3.967 7.944 -5.280 1.00 1.00 C ATOM 114 C HIS A 7 -4.411 8.451 -3.906 1.00 1.00 C ATOM 115 O HIS A 7 -5.574 8.304 -3.532 1.00 1.00 O ATOM 116 CB HIS A 7 -4.398 8.868 -6.420 1.00 1.00 C ATOM 117 CG HIS A 7 -4.735 10.272 -5.979 1.00 1.00 C ATOM 118 ND1 HIS A 7 -4.186 11.396 -6.570 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.572 10.722 -5.000 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.676 12.469 -5.965 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.535 12.049 -4.993 1.00 1.00 N ATOM 0 H HIS A 7 -5.384 6.414 -5.072 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.877 7.934 -5.290 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.599 8.913 -7.160 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.267 8.435 -6.916 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -6.164 10.103 -4.342 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.437 13.495 -6.201 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -6.062 12.655 -4.364 1.00 1.00 H new ATOM 129 N ILE A 8 -3.462 9.037 -3.192 1.00 1.00 N ATOM 130 CA ILE A 8 -3.741 9.567 -1.868 1.00 1.00 C ATOM 131 C ILE A 8 -4.789 10.676 -1.977 1.00 1.00 C ATOM 132 O ILE A 8 -4.649 11.589 -2.789 1.00 1.00 O ATOM 133 CB ILE A 8 -2.446 10.010 -1.184 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.445 8.855 -1.105 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.731 10.617 0.191 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.167 7.509 -1.008 1.00 1.00 C ATOM 0 H ILE A 8 -2.499 9.157 -3.505 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.163 8.791 -1.229 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.989 10.791 -1.791 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.803 8.865 -1.986 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.798 8.988 -0.238 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.793 10.923 0.655 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.380 11.485 0.078 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.222 9.876 0.821 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.433 6.705 -0.953 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.789 7.494 -0.113 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.794 7.368 -1.888 1.00 1.00 H new ATOM 148 N VAL A 9 -5.816 10.560 -1.148 1.00 1.00 N ATOM 149 CA VAL A 9 -6.887 11.542 -1.141 1.00 1.00 C ATOM 150 C VAL A 9 -7.098 12.050 0.287 1.00 1.00 C ATOM 151 O VAL A 9 -8.158 12.585 0.608 1.00 1.00 O ATOM 152 CB VAL A 9 -8.152 10.940 -1.755 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.979 10.714 -3.258 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.540 9.640 -1.046 1.00 1.00 C ATOM 0 H VAL A 9 -5.929 9.801 -0.476 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.621 12.402 -1.756 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.964 11.654 -1.616 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.893 10.285 -3.669 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.772 11.666 -3.748 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.148 10.030 -3.430 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.442 9.232 -1.502 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.729 8.918 -1.140 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.726 9.842 0.009 1.00 1.00 H new ATOM 164 N ALA A 10 -6.072 11.865 1.105 1.00 1.00 N ATOM 165 CA ALA A 10 -6.132 12.298 2.490 1.00 1.00 C ATOM 166 C ALA A 10 -5.352 13.605 2.646 1.00 1.00 C ATOM 167 O ALA A 10 -5.519 14.318 3.634 1.00 1.00 O ATOM 168 CB ALA A 10 -5.596 11.187 3.396 1.00 1.00 C ATOM 0 H ALA A 10 -5.194 11.421 0.835 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.163 12.492 2.787 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.641 11.512 4.436 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.202 10.290 3.270 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.562 10.967 3.129 1.00 1.00 H new ATOM 174 N GLU A 11 -4.517 13.880 1.655 1.00 1.00 N ATOM 175 CA GLU A 11 -3.711 15.089 1.669 1.00 1.00 C ATOM 176 C GLU A 11 -3.078 15.288 3.047 1.00 1.00 C ATOM 177 O GLU A 11 -2.641 16.389 3.381 1.00 1.00 O ATOM 178 CB GLU A 11 -4.544 16.308 1.267 1.00 1.00 C ATOM 179 CG GLU A 11 -5.559 16.661 2.355 1.00 1.00 C ATOM 180 CD GLU A 11 -6.182 18.035 2.098 1.00 1.00 C ATOM 181 OE1 GLU A 11 -5.409 19.018 2.102 1.00 1.00 O ATOM 182 OE2 GLU A 11 -7.416 18.072 1.905 1.00 1.00 O ATOM 0 H GLU A 11 -4.381 13.286 0.837 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.912 14.979 0.936 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.887 17.159 1.088 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.065 16.105 0.331 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.342 15.903 2.387 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.070 16.656 3.329 1.00 1.00 H new ATOM 189 N THR A 12 -3.048 14.206 3.812 1.00 1.00 N ATOM 190 CA THR A 12 -2.476 14.248 5.147 1.00 1.00 C ATOM 191 C THR A 12 -0.950 14.160 5.075 1.00 1.00 C ATOM 192 O THR A 12 -0.250 15.071 5.516 1.00 1.00 O ATOM 193 CB THR A 12 -3.112 13.127 5.970 1.00 1.00 C ATOM 194 OG1 THR A 12 -3.201 13.668 7.285 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.186 11.918 6.126 1.00 1.00 C ATOM 0 H THR A 12 -3.411 13.295 3.532 1.00 1.00 H new ATOM 0 HA THR A 12 -2.693 15.195 5.641 1.00 1.00 H new ATOM 0 HB THR A 12 -4.043 12.813 5.497 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.352 14.097 7.520 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.685 11.151 6.718 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.943 11.516 5.142 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.269 12.225 6.629 1.00 1.00 H new ATOM 203 N GLY A 13 -0.479 13.054 4.518 1.00 1.00 N ATOM 204 CA GLY A 13 0.951 12.835 4.383 1.00 1.00 C ATOM 205 C GLY A 13 1.329 11.412 4.801 1.00 1.00 C ATOM 206 O GLY A 13 2.197 11.221 5.653 1.00 1.00 O ATOM 0 H GLY A 13 -1.062 12.300 4.155 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.253 13.007 3.350 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.492 13.554 4.997 1.00 1.00 H new ATOM 210 N ILE A 14 0.660 10.450 4.183 1.00 1.00 N ATOM 211 CA ILE A 14 0.915 9.051 4.481 1.00 1.00 C ATOM 212 C ILE A 14 1.963 8.953 5.590 1.00 1.00 C ATOM 213 O ILE A 14 3.124 8.645 5.327 1.00 1.00 O ATOM 214 CB ILE A 14 1.294 8.293 3.207 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.048 7.890 2.416 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.183 7.090 3.529 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.977 9.026 2.393 1.00 1.00 C ATOM 0 H ILE A 14 -0.058 10.612 3.477 1.00 1.00 H new ATOM 0 HA ILE A 14 0.011 8.570 4.854 1.00 1.00 H new ATOM 0 HB ILE A 14 1.875 8.962 2.572 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.329 7.628 1.396 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.399 7.001 2.862 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.438 6.569 2.606 1.00 1.00 H new ATOM 0 HG22 ILE A 14 3.096 7.432 4.017 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.649 6.411 4.194 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.853 8.714 1.825 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.274 9.269 3.413 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.535 9.905 1.925 1.00 1.00 H new ATOM 229 N HIS A 15 1.516 9.220 6.809 1.00 1.00 N ATOM 230 CA HIS A 15 2.401 9.165 7.960 1.00 1.00 C ATOM 231 C HIS A 15 2.241 7.818 8.667 1.00 1.00 C ATOM 232 O HIS A 15 1.409 7.002 8.274 1.00 1.00 O ATOM 233 CB HIS A 15 2.157 10.356 8.889 1.00 1.00 C ATOM 234 CG HIS A 15 0.712 10.786 8.971 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.184 10.236 9.871 1.00 1.00 N ATOM 236 CD2 HIS A 15 0.018 11.717 8.256 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.362 10.818 9.697 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.235 11.735 8.695 1.00 1.00 N ATOM 0 H HIS A 15 0.552 9.475 7.024 1.00 1.00 H new ATOM 0 HA HIS A 15 3.437 9.241 7.631 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.507 10.101 9.889 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.757 11.199 8.547 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.419 12.335 7.466 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.264 10.604 10.251 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -1.980 12.335 8.341 1.00 1.00 H new ATOM 246 N ALA A 16 3.050 7.628 9.698 1.00 1.00 N ATOM 247 CA ALA A 16 3.009 6.393 10.464 1.00 1.00 C ATOM 248 C ALA A 16 1.553 5.960 10.646 1.00 1.00 C ATOM 249 O ALA A 16 1.249 4.768 10.629 1.00 1.00 O ATOM 250 CB ALA A 16 3.728 6.596 11.799 1.00 1.00 C ATOM 0 H ALA A 16 3.738 8.308 10.022 1.00 1.00 H new ATOM 0 HA ALA A 16 3.527 5.594 9.933 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.697 5.670 12.373 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.766 6.874 11.615 1.00 1.00 H new ATOM 0 HB3 ALA A 16 3.234 7.388 12.361 1.00 1.00 H new ATOM 256 N ARG A 17 0.690 6.952 10.817 1.00 1.00 N ATOM 257 CA ARG A 17 -0.726 6.688 11.002 1.00 1.00 C ATOM 258 C ARG A 17 -1.313 6.035 9.749 1.00 1.00 C ATOM 259 O ARG A 17 -1.607 4.840 9.747 1.00 1.00 O ATOM 260 CB ARG A 17 -1.492 7.978 11.302 1.00 1.00 C ATOM 261 CG ARG A 17 -1.717 8.145 12.807 1.00 1.00 C ATOM 262 CD ARG A 17 -0.384 8.253 13.551 1.00 1.00 C ATOM 263 NE ARG A 17 -0.129 9.660 13.930 1.00 1.00 N ATOM 264 CZ ARG A 17 0.641 10.033 14.962 1.00 1.00 C ATOM 265 NH1 ARG A 17 1.234 9.105 15.724 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.816 11.334 15.231 1.00 1.00 N ATOM 0 H ARG A 17 0.945 7.939 10.831 1.00 1.00 H new ATOM 0 HA ARG A 17 -0.829 6.012 11.850 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -0.936 8.833 10.917 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.452 7.963 10.787 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.315 9.038 12.992 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.284 7.297 13.190 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.404 7.626 14.442 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.425 7.885 12.920 1.00 1.00 H new ATOM 0 HE ARG A 17 -0.567 10.392 13.371 1.00 1.00 H new ATOM 0 HH11 ARG A 17 1.100 8.115 15.519 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.820 9.388 16.509 1.00 1.00 H new ATOM 0 HH21 ARG A 17 0.363 12.040 14.651 1.00 1.00 H new ATOM 0 HH22 ARG A 17 1.402 11.618 16.016 1.00 1.00 H new ATOM 280 N PRO A 18 -1.470 6.868 8.686 1.00 1.00 N ATOM 281 CA PRO A 18 -2.016 6.385 7.429 1.00 1.00 C ATOM 282 C PRO A 18 -0.983 5.551 6.668 1.00 1.00 C ATOM 283 O PRO A 18 -1.342 4.631 5.934 1.00 1.00 O ATOM 284 CB PRO A 18 -2.441 7.635 6.678 1.00 1.00 C ATOM 285 CG PRO A 18 -1.698 8.788 7.333 1.00 1.00 C ATOM 286 CD PRO A 18 -1.132 8.288 8.652 1.00 1.00 C ATOM 0 HA PRO A 18 -2.864 5.714 7.568 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.190 7.559 5.620 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.520 7.780 6.740 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.897 9.144 6.684 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.370 9.629 7.501 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.054 8.440 8.703 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.569 8.819 9.497 1.00 1.00 H new ATOM 294 N ALA A 19 0.278 5.902 6.868 1.00 1.00 N ATOM 295 CA ALA A 19 1.365 5.198 6.210 1.00 1.00 C ATOM 296 C ALA A 19 1.281 3.708 6.548 1.00 1.00 C ATOM 297 O ALA A 19 1.259 2.865 5.652 1.00 1.00 O ATOM 298 CB ALA A 19 2.701 5.816 6.627 1.00 1.00 C ATOM 0 H ALA A 19 0.572 6.666 7.477 1.00 1.00 H new ATOM 0 HA ALA A 19 1.285 5.295 5.127 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.516 5.287 6.133 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.722 6.867 6.338 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.818 5.735 7.708 1.00 1.00 H new ATOM 304 N THR A 20 1.235 3.429 7.842 1.00 1.00 N ATOM 305 CA THR A 20 1.154 2.056 8.309 1.00 1.00 C ATOM 306 C THR A 20 -0.235 1.479 8.028 1.00 1.00 C ATOM 307 O THR A 20 -0.369 0.295 7.721 1.00 1.00 O ATOM 308 CB THR A 20 1.530 2.038 9.792 1.00 1.00 C ATOM 309 OG1 THR A 20 2.341 3.197 9.958 1.00 1.00 O ATOM 310 CG2 THR A 20 2.463 0.877 10.145 1.00 1.00 C ATOM 0 H THR A 20 1.252 4.131 8.582 1.00 1.00 H new ATOM 0 HA THR A 20 1.853 1.414 7.774 1.00 1.00 H new ATOM 0 HB THR A 20 0.625 1.973 10.396 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.803 3.921 10.341 1.00 1.00 H new ATOM 0 HG21 THR A 20 2.699 0.910 11.209 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.972 -0.068 9.912 1.00 1.00 H new ATOM 0 HG23 THR A 20 3.383 0.961 9.566 1.00 1.00 H new ATOM 318 N LEU A 21 -1.234 2.342 8.142 1.00 1.00 N ATOM 319 CA LEU A 21 -2.608 1.932 7.904 1.00 1.00 C ATOM 320 C LEU A 21 -2.654 0.999 6.692 1.00 1.00 C ATOM 321 O LEU A 21 -3.216 -0.093 6.766 1.00 1.00 O ATOM 322 CB LEU A 21 -3.516 3.156 7.774 1.00 1.00 C ATOM 323 CG LEU A 21 -4.996 2.929 8.091 1.00 1.00 C ATOM 324 CD1 LEU A 21 -5.816 4.190 7.811 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.538 1.714 7.337 1.00 1.00 C ATOM 0 H LEU A 21 -1.120 3.323 8.396 1.00 1.00 H new ATOM 0 HA LEU A 21 -2.992 1.368 8.755 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.138 3.936 8.435 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.437 3.536 6.755 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.088 2.714 9.156 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -6.864 4.002 8.044 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.448 5.008 8.430 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.721 4.459 6.759 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.591 1.575 7.580 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.431 1.874 6.264 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -4.978 0.825 7.629 1.00 1.00 H new ATOM 337 N LEU A 22 -2.057 1.464 5.604 1.00 1.00 N ATOM 338 CA LEU A 22 -2.024 0.685 4.378 1.00 1.00 C ATOM 339 C LEU A 22 -1.053 -0.484 4.549 1.00 1.00 C ATOM 340 O LEU A 22 -1.413 -1.635 4.307 1.00 1.00 O ATOM 341 CB LEU A 22 -1.701 1.583 3.182 1.00 1.00 C ATOM 342 CG LEU A 22 -0.583 2.606 3.393 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.510 2.450 2.334 1.00 1.00 C ATOM 344 CD2 LEU A 22 -1.143 4.029 3.434 1.00 1.00 C ATOM 0 H LEU A 22 -1.592 2.370 5.546 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.005 0.258 4.171 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.430 0.948 2.339 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.608 2.118 2.900 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.122 2.414 4.362 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.292 3.189 2.507 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.936 1.449 2.396 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.081 2.601 1.343 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.328 4.737 3.585 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.645 4.250 2.492 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.856 4.116 4.254 1.00 1.00 H new ATOM 356 N VAL A 23 0.160 -0.149 4.964 1.00 1.00 N ATOM 357 CA VAL A 23 1.186 -1.158 5.169 1.00 1.00 C ATOM 358 C VAL A 23 0.669 -2.212 6.150 1.00 1.00 C ATOM 359 O VAL A 23 0.818 -3.410 5.915 1.00 1.00 O ATOM 360 CB VAL A 23 2.486 -0.496 5.632 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.556 0.959 5.164 1.00 1.00 C ATOM 362 CG2 VAL A 23 2.638 -0.591 7.152 1.00 1.00 C ATOM 0 H VAL A 23 0.455 0.807 5.164 1.00 1.00 H new ATOM 0 HA VAL A 23 1.413 -1.668 4.233 1.00 1.00 H new ATOM 0 HB VAL A 23 3.318 -1.035 5.178 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.489 1.407 5.506 1.00 1.00 H new ATOM 0 HG12 VAL A 23 2.515 0.993 4.075 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.714 1.515 5.577 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.570 -0.113 7.455 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.799 -0.089 7.634 1.00 1.00 H new ATOM 0 HG23 VAL A 23 2.654 -1.639 7.451 1.00 1.00 H new ATOM 372 N GLN A 24 0.073 -1.728 7.230 1.00 1.00 N ATOM 373 CA GLN A 24 -0.466 -2.613 8.248 1.00 1.00 C ATOM 374 C GLN A 24 -1.499 -3.560 7.634 1.00 1.00 C ATOM 375 O GLN A 24 -1.563 -4.734 7.996 1.00 1.00 O ATOM 376 CB GLN A 24 -1.072 -1.815 9.404 1.00 1.00 C ATOM 377 CG GLN A 24 -2.354 -1.103 8.966 1.00 1.00 C ATOM 378 CD GLN A 24 -3.268 -0.834 10.163 1.00 1.00 C ATOM 379 OE1 GLN A 24 -2.827 -0.516 11.255 1.00 1.00 O ATOM 380 NE2 GLN A 24 -4.563 -0.979 9.898 1.00 1.00 N ATOM 0 H GLN A 24 -0.048 -0.734 7.422 1.00 1.00 H new ATOM 0 HA GLN A 24 0.351 -3.210 8.652 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.289 -2.483 10.237 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.349 -1.082 9.763 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.103 -0.162 8.477 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.880 -1.713 8.232 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -4.865 -1.247 8.961 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -5.254 -0.822 10.631 1.00 1.00 H new ATOM 389 N THR A 25 -2.283 -3.014 6.716 1.00 1.00 N ATOM 390 CA THR A 25 -3.310 -3.796 6.048 1.00 1.00 C ATOM 391 C THR A 25 -2.713 -4.565 4.869 1.00 1.00 C ATOM 392 O THR A 25 -3.238 -5.604 4.470 1.00 1.00 O ATOM 393 CB THR A 25 -4.440 -2.846 5.645 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.499 -3.166 6.542 1.00 1.00 O ATOM 395 CG2 THR A 25 -5.011 -3.170 4.263 1.00 1.00 C ATOM 0 H THR A 25 -2.228 -2.040 6.419 1.00 1.00 H new ATOM 0 HA THR A 25 -3.725 -4.554 6.712 1.00 1.00 H new ATOM 0 HB THR A 25 -4.073 -1.820 5.655 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.272 -2.595 6.352 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.809 -2.467 4.025 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.222 -3.090 3.515 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.409 -4.185 4.263 1.00 1.00 H new ATOM 403 N ALA A 26 -1.623 -4.026 4.343 1.00 1.00 N ATOM 404 CA ALA A 26 -0.948 -4.648 3.216 1.00 1.00 C ATOM 405 C ALA A 26 0.050 -5.685 3.735 1.00 1.00 C ATOM 406 O ALA A 26 0.269 -6.714 3.098 1.00 1.00 O ATOM 407 CB ALA A 26 -0.278 -3.570 2.363 1.00 1.00 C ATOM 0 H ALA A 26 -1.190 -3.165 4.677 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.664 -5.168 2.579 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.228 -4.037 1.518 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.033 -2.876 1.995 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.450 -3.028 2.967 1.00 1.00 H new ATOM 413 N SER A 27 0.629 -5.378 4.887 1.00 1.00 N ATOM 414 CA SER A 27 1.598 -6.271 5.498 1.00 1.00 C ATOM 415 C SER A 27 0.901 -7.197 6.496 1.00 1.00 C ATOM 416 O SER A 27 1.435 -7.475 7.569 1.00 1.00 O ATOM 417 CB SER A 27 2.710 -5.483 6.194 1.00 1.00 C ATOM 418 OG SER A 27 3.702 -6.339 6.753 1.00 1.00 O ATOM 0 H SER A 27 0.445 -4.523 5.413 1.00 1.00 H new ATOM 0 HA SER A 27 2.052 -6.872 4.711 1.00 1.00 H new ATOM 0 HB2 SER A 27 3.177 -4.806 5.479 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.278 -4.866 6.982 1.00 1.00 H new ATOM 0 HG SER A 27 3.269 -7.033 7.292 1.00 1.00 H new ATOM 424 N LYS A 28 -0.282 -7.649 6.108 1.00 1.00 N ATOM 425 CA LYS A 28 -1.059 -8.539 6.955 1.00 1.00 C ATOM 426 C LYS A 28 -1.791 -9.559 6.081 1.00 1.00 C ATOM 427 O LYS A 28 -2.807 -10.118 6.491 1.00 1.00 O ATOM 428 CB LYS A 28 -1.985 -7.734 7.869 1.00 1.00 C ATOM 429 CG LYS A 28 -2.809 -6.727 7.065 1.00 1.00 C ATOM 430 CD LYS A 28 -3.953 -7.421 6.323 1.00 1.00 C ATOM 431 CE LYS A 28 -5.031 -7.896 7.299 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.779 -9.295 7.710 1.00 1.00 N ATOM 0 H LYS A 28 -0.722 -7.416 5.218 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.403 -9.102 7.619 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.652 -8.410 8.404 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.394 -7.209 8.620 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.213 -5.967 7.733 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.166 -6.214 6.350 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.391 -6.734 5.598 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.565 -8.271 5.762 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -5.045 -7.250 8.177 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -6.013 -7.820 6.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -5.634 -9.864 7.546 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -3.991 -9.684 7.153 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -4.535 -9.321 8.721 1.00 1.00 H new ATOM 446 N PHE A 29 -1.247 -9.770 4.891 1.00 1.00 N ATOM 447 CA PHE A 29 -1.836 -10.713 3.956 1.00 1.00 C ATOM 448 C PHE A 29 -0.882 -11.877 3.677 1.00 1.00 C ATOM 449 O PHE A 29 0.280 -11.663 3.335 1.00 1.00 O ATOM 450 CB PHE A 29 -2.087 -9.952 2.653 1.00 1.00 C ATOM 451 CG PHE A 29 -3.048 -8.770 2.798 1.00 1.00 C ATOM 452 CD1 PHE A 29 -4.080 -8.837 3.682 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.871 -7.652 2.043 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.971 -7.740 3.816 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.762 -6.555 2.178 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.794 -6.622 3.062 1.00 1.00 C ATOM 0 H PHE A 29 -0.405 -9.304 4.553 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.756 -11.124 4.372 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.135 -9.588 2.268 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.487 -10.644 1.912 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.221 -9.724 4.281 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -2.052 -7.599 1.341 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.790 -7.793 4.518 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.621 -5.667 1.579 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.472 -5.788 3.165 1.00 1.00 H new ATOM 466 N ASN A 30 -1.409 -13.082 3.834 1.00 1.00 N ATOM 467 CA ASN A 30 -0.620 -14.280 3.603 1.00 1.00 C ATOM 468 C ASN A 30 0.059 -14.182 2.235 1.00 1.00 C ATOM 469 O ASN A 30 0.995 -14.927 1.948 1.00 1.00 O ATOM 470 CB ASN A 30 -1.502 -15.530 3.605 1.00 1.00 C ATOM 471 CG ASN A 30 -1.571 -16.149 5.003 1.00 1.00 C ATOM 472 OD1 ASN A 30 -2.613 -16.202 5.635 1.00 1.00 O ATOM 473 ND2 ASN A 30 -0.407 -16.613 5.447 1.00 1.00 N ATOM 0 H ASN A 30 -2.373 -13.255 4.118 1.00 1.00 H new ATOM 0 HA ASN A 30 0.117 -14.358 4.403 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -2.506 -15.272 3.268 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -1.106 -16.260 2.899 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -0.349 -17.046 6.369 1.00 1.00 H new ATOM 0 HD22 ASN A 30 0.428 -16.536 4.866 1.00 1.00 H new ATOM 480 N SER A 31 -0.439 -13.258 1.427 1.00 1.00 N ATOM 481 CA SER A 31 0.107 -13.053 0.097 1.00 1.00 C ATOM 482 C SER A 31 0.968 -11.789 0.073 1.00 1.00 C ATOM 483 O SER A 31 1.146 -11.136 1.100 1.00 1.00 O ATOM 484 CB SER A 31 -1.007 -12.956 -0.947 1.00 1.00 C ATOM 485 OG SER A 31 -1.989 -11.987 -0.592 1.00 1.00 O ATOM 0 H SER A 31 -1.216 -12.642 1.668 1.00 1.00 H new ATOM 0 HA SER A 31 0.729 -13.913 -0.153 1.00 1.00 H new ATOM 0 HB2 SER A 31 -0.576 -12.697 -1.914 1.00 1.00 H new ATOM 0 HB3 SER A 31 -1.483 -13.930 -1.060 1.00 1.00 H new ATOM 0 HG SER A 31 -1.978 -11.256 -1.244 1.00 1.00 H new ATOM 491 N ASP A 32 1.479 -11.482 -1.110 1.00 1.00 N ATOM 492 CA ASP A 32 2.317 -10.307 -1.281 1.00 1.00 C ATOM 493 C ASP A 32 1.432 -9.091 -1.561 1.00 1.00 C ATOM 494 O ASP A 32 0.312 -9.233 -2.048 1.00 1.00 O ATOM 495 CB ASP A 32 3.273 -10.479 -2.464 1.00 1.00 C ATOM 496 CG ASP A 32 4.729 -10.107 -2.178 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.171 -10.375 -1.041 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.367 -9.563 -3.105 1.00 1.00 O ATOM 0 H ASP A 32 1.329 -12.026 -1.959 1.00 1.00 H new ATOM 0 HA ASP A 32 2.895 -10.170 -0.367 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.237 -11.518 -2.793 1.00 1.00 H new ATOM 0 HB3 ASP A 32 2.914 -9.869 -3.293 1.00 1.00 H new ATOM 503 N ILE A 33 1.969 -7.922 -1.241 1.00 1.00 N ATOM 504 CA ILE A 33 1.242 -6.682 -1.452 1.00 1.00 C ATOM 505 C ILE A 33 2.111 -5.504 -1.005 1.00 1.00 C ATOM 506 O ILE A 33 2.463 -5.398 0.168 1.00 1.00 O ATOM 507 CB ILE A 33 -0.122 -6.737 -0.762 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.007 -5.568 -1.202 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.034 -6.796 0.759 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.810 -4.357 -0.288 1.00 1.00 C ATOM 0 H ILE A 33 2.899 -7.808 -0.837 1.00 1.00 H new ATOM 0 HA ILE A 33 1.032 -6.539 -2.512 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.623 -7.655 -1.070 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.770 -5.295 -2.230 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.053 -5.873 -1.187 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.951 -6.834 1.225 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.600 -7.687 1.032 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.565 -5.909 1.105 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.450 -3.541 -0.623 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -1.071 -4.627 0.735 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.232 -4.039 -0.325 1.00 1.00 H new ATOM 522 N ASN A 34 2.431 -4.649 -1.965 1.00 1.00 N ATOM 523 CA ASN A 34 3.252 -3.483 -1.685 1.00 1.00 C ATOM 524 C ASN A 34 2.583 -2.240 -2.275 1.00 1.00 C ATOM 525 O ASN A 34 1.516 -2.334 -2.881 1.00 1.00 O ATOM 526 CB ASN A 34 4.638 -3.620 -2.319 1.00 1.00 C ATOM 527 CG ASN A 34 5.310 -4.925 -1.889 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.865 -5.616 -0.988 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.405 -5.223 -2.583 1.00 1.00 N ATOM 0 H ASN A 34 2.137 -4.740 -2.937 1.00 1.00 H new ATOM 0 HA ASN A 34 3.357 -3.396 -0.604 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.549 -3.593 -3.405 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.260 -2.773 -2.029 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.926 -6.074 -2.373 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.723 -4.600 -3.325 1.00 1.00 H new ATOM 536 N LEU A 35 3.237 -1.105 -2.079 1.00 1.00 N ATOM 537 CA LEU A 35 2.719 0.154 -2.584 1.00 1.00 C ATOM 538 C LEU A 35 3.724 0.756 -3.569 1.00 1.00 C ATOM 539 O LEU A 35 4.930 0.568 -3.422 1.00 1.00 O ATOM 540 CB LEU A 35 2.358 1.088 -1.427 1.00 1.00 C ATOM 541 CG LEU A 35 3.337 2.233 -1.159 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.419 3.177 -2.360 1.00 1.00 C ATOM 543 CD2 LEU A 35 2.974 2.975 0.129 1.00 1.00 C ATOM 0 H LEU A 35 4.122 -1.031 -1.577 1.00 1.00 H new ATOM 0 HA LEU A 35 1.792 -0.009 -3.133 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.375 1.516 -1.624 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.270 0.492 -0.519 1.00 1.00 H new ATOM 0 HG LEU A 35 4.330 1.807 -1.016 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.122 3.982 -2.143 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.760 2.624 -3.235 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.434 3.599 -2.559 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.686 3.784 0.296 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.969 3.388 0.040 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.008 2.282 0.970 1.00 1.00 H new ATOM 555 N GLU A 36 3.188 1.466 -4.551 1.00 1.00 N ATOM 556 CA GLU A 36 4.023 2.096 -5.560 1.00 1.00 C ATOM 557 C GLU A 36 3.666 3.578 -5.694 1.00 1.00 C ATOM 558 O GLU A 36 2.555 3.918 -6.099 1.00 1.00 O ATOM 559 CB GLU A 36 3.895 1.377 -6.904 1.00 1.00 C ATOM 560 CG GLU A 36 4.708 2.090 -7.987 1.00 1.00 C ATOM 561 CD GLU A 36 3.870 3.164 -8.684 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.216 2.809 -9.688 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.903 4.314 -8.197 1.00 1.00 O ATOM 0 H GLU A 36 2.187 1.619 -4.669 1.00 1.00 H new ATOM 0 HA GLU A 36 5.063 2.020 -5.243 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.240 0.348 -6.804 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.847 1.335 -7.200 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.592 2.546 -7.542 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.058 1.364 -8.721 1.00 1.00 H new ATOM 570 N TYR A 37 4.628 4.419 -5.347 1.00 1.00 N ATOM 571 CA TYR A 37 4.430 5.857 -5.424 1.00 1.00 C ATOM 572 C TYR A 37 5.424 6.497 -6.395 1.00 1.00 C ATOM 573 O TYR A 37 6.635 6.336 -6.245 1.00 1.00 O ATOM 574 CB TYR A 37 4.692 6.395 -4.016 1.00 1.00 C ATOM 575 CG TYR A 37 4.773 7.921 -3.938 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.063 8.696 -4.832 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.556 8.521 -2.974 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.139 10.132 -4.759 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.632 9.958 -2.900 1.00 1.00 C ATOM 580 CZ TYR A 37 4.920 10.692 -3.796 1.00 1.00 C ATOM 581 OH TYR A 37 4.992 12.048 -3.727 1.00 1.00 O ATOM 0 H TYR A 37 5.548 4.133 -5.011 1.00 1.00 H new ATOM 0 HA TYR A 37 3.426 6.087 -5.779 1.00 1.00 H new ATOM 0 HB2 TYR A 37 3.899 6.049 -3.353 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.626 5.972 -3.645 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.450 8.225 -5.587 1.00 1.00 H new ATOM 0 HD2 TYR A 37 6.112 7.914 -2.275 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.589 10.750 -5.453 1.00 1.00 H new ATOM 0 HE2 TYR A 37 6.241 10.441 -2.150 1.00 1.00 H new ATOM 0 HH TYR A 37 5.585 12.307 -2.991 1.00 1.00 H new ATOM 591 N LYS A 38 4.877 7.209 -7.369 1.00 1.00 N ATOM 592 CA LYS A 38 5.701 7.873 -8.364 1.00 1.00 C ATOM 593 C LYS A 38 6.287 6.828 -9.316 1.00 1.00 C ATOM 594 O LYS A 38 7.030 7.168 -10.235 1.00 1.00 O ATOM 595 CB LYS A 38 6.757 8.749 -7.687 1.00 1.00 C ATOM 596 CG LYS A 38 6.115 9.690 -6.665 1.00 1.00 C ATOM 597 CD LYS A 38 6.784 11.066 -6.691 1.00 1.00 C ATOM 598 CE LYS A 38 8.154 11.023 -6.011 1.00 1.00 C ATOM 599 NZ LYS A 38 8.400 12.275 -5.261 1.00 1.00 N ATOM 0 H LYS A 38 3.873 7.341 -7.490 1.00 1.00 H new ATOM 0 HA LYS A 38 5.097 8.551 -8.967 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.495 8.118 -7.192 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.288 9.332 -8.440 1.00 1.00 H new ATOM 0 HG2 LYS A 38 5.051 9.795 -6.879 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.198 9.260 -5.667 1.00 1.00 H new ATOM 0 HD2 LYS A 38 6.896 11.400 -7.722 1.00 1.00 H new ATOM 0 HD3 LYS A 38 6.147 11.793 -6.188 1.00 1.00 H new ATOM 0 HE2 LYS A 38 8.204 10.171 -5.334 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.934 10.881 -6.759 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 9.334 12.229 -4.806 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 8.373 13.083 -5.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 7.666 12.394 -4.534 1.00 1.00 H new ATOM 613 N GLY A 39 5.930 5.578 -9.062 1.00 1.00 N ATOM 614 CA GLY A 39 6.411 4.481 -9.884 1.00 1.00 C ATOM 615 C GLY A 39 7.299 3.536 -9.073 1.00 1.00 C ATOM 616 O GLY A 39 7.774 2.526 -9.591 1.00 1.00 O ATOM 0 H GLY A 39 5.313 5.300 -8.299 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.564 3.929 -10.292 1.00 1.00 H new ATOM 0 HA3 GLY A 39 6.972 4.876 -10.731 1.00 1.00 H new ATOM 620 N LYS A 40 7.498 3.897 -7.813 1.00 1.00 N ATOM 621 CA LYS A 40 8.320 3.094 -6.925 1.00 1.00 C ATOM 622 C LYS A 40 7.421 2.179 -6.091 1.00 1.00 C ATOM 623 O LYS A 40 6.719 2.644 -5.194 1.00 1.00 O ATOM 624 CB LYS A 40 9.234 3.989 -6.086 1.00 1.00 C ATOM 625 CG LYS A 40 9.889 3.195 -4.953 1.00 1.00 C ATOM 626 CD LYS A 40 10.805 4.090 -4.115 1.00 1.00 C ATOM 627 CE LYS A 40 10.447 4.004 -2.630 1.00 1.00 C ATOM 628 NZ LYS A 40 10.995 5.167 -1.897 1.00 1.00 N ATOM 0 H LYS A 40 7.103 4.735 -7.387 1.00 1.00 H new ATOM 0 HA LYS A 40 8.984 2.449 -7.501 1.00 1.00 H new ATOM 0 HB2 LYS A 40 10.004 4.426 -6.721 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.658 4.815 -5.670 1.00 1.00 H new ATOM 0 HG2 LYS A 40 9.119 2.759 -4.317 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.464 2.368 -5.369 1.00 1.00 H new ATOM 0 HD2 LYS A 40 11.843 3.791 -4.260 1.00 1.00 H new ATOM 0 HD3 LYS A 40 10.720 5.122 -4.454 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.364 3.970 -2.512 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.843 3.081 -2.207 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.832 5.043 -0.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 12.017 5.241 -2.078 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.522 6.035 -2.220 1.00 1.00 H new ATOM 642 N SER A 41 7.470 0.896 -6.417 1.00 1.00 N ATOM 643 CA SER A 41 6.668 -0.087 -5.709 1.00 1.00 C ATOM 644 C SER A 41 7.536 -0.840 -4.698 1.00 1.00 C ATOM 645 O SER A 41 8.471 -1.543 -5.079 1.00 1.00 O ATOM 646 CB SER A 41 6.015 -1.070 -6.683 1.00 1.00 C ATOM 647 OG SER A 41 6.849 -2.195 -6.946 1.00 1.00 O ATOM 0 H SER A 41 8.053 0.514 -7.162 1.00 1.00 H new ATOM 0 HA SER A 41 5.874 0.438 -5.178 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.065 -1.411 -6.271 1.00 1.00 H new ATOM 0 HB3 SER A 41 5.791 -0.558 -7.619 1.00 1.00 H new ATOM 0 HG SER A 41 7.750 -2.022 -6.602 1.00 1.00 H new ATOM 653 N VAL A 42 7.195 -0.667 -3.430 1.00 1.00 N ATOM 654 CA VAL A 42 7.931 -1.322 -2.361 1.00 1.00 C ATOM 655 C VAL A 42 6.967 -1.675 -1.226 1.00 1.00 C ATOM 656 O VAL A 42 5.997 -0.958 -0.985 1.00 1.00 O ATOM 657 CB VAL A 42 9.091 -0.435 -1.906 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.625 0.408 -3.066 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.676 0.451 -0.730 1.00 1.00 C ATOM 0 H VAL A 42 6.419 -0.083 -3.118 1.00 1.00 H new ATOM 0 HA VAL A 42 8.371 -2.254 -2.715 1.00 1.00 H new ATOM 0 HB VAL A 42 9.897 -1.086 -1.567 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.449 1.029 -2.715 1.00 1.00 H new ATOM 0 HG12 VAL A 42 9.979 -0.249 -3.861 1.00 1.00 H new ATOM 0 HG13 VAL A 42 8.828 1.045 -3.450 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.519 1.071 -0.426 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.846 1.090 -1.031 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.367 -0.176 0.107 1.00 1.00 H new ATOM 669 N ASN A 43 7.268 -2.780 -0.560 1.00 1.00 N ATOM 670 CA ASN A 43 6.441 -3.237 0.544 1.00 1.00 C ATOM 671 C ASN A 43 6.031 -2.037 1.400 1.00 1.00 C ATOM 672 O ASN A 43 6.727 -1.681 2.350 1.00 1.00 O ATOM 673 CB ASN A 43 7.206 -4.216 1.437 1.00 1.00 C ATOM 674 CG ASN A 43 8.180 -5.062 0.615 1.00 1.00 C ATOM 675 OD1 ASN A 43 9.200 -4.594 0.138 1.00 1.00 O ATOM 676 ND2 ASN A 43 7.809 -6.332 0.477 1.00 1.00 N ATOM 0 H ASN A 43 8.073 -3.372 -0.764 1.00 1.00 H new ATOM 0 HA ASN A 43 5.568 -3.737 0.126 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.753 -3.665 2.201 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.502 -4.867 1.956 1.00 1.00 H new ATOM 0 HD21 ASN A 43 8.392 -6.979 -0.054 1.00 1.00 H new ATOM 0 HD22 ASN A 43 6.942 -6.659 0.903 1.00 1.00 H new ATOM 683 N LEU A 44 4.904 -1.446 1.032 1.00 1.00 N ATOM 684 CA LEU A 44 4.393 -0.293 1.754 1.00 1.00 C ATOM 685 C LEU A 44 4.955 -0.298 3.177 1.00 1.00 C ATOM 686 O LEU A 44 5.284 0.755 3.722 1.00 1.00 O ATOM 687 CB LEU A 44 2.865 -0.259 1.696 1.00 1.00 C ATOM 688 CG LEU A 44 2.204 -1.310 0.802 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.372 -2.713 1.388 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.734 -0.968 0.549 1.00 1.00 C ATOM 0 H LEU A 44 4.330 -1.744 0.243 1.00 1.00 H new ATOM 0 HA LEU A 44 4.727 0.631 1.282 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.480 -0.378 2.709 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.556 0.728 1.352 1.00 1.00 H new ATOM 0 HG LEU A 44 2.708 -1.302 -0.164 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.893 -3.441 0.733 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.433 -2.946 1.475 1.00 1.00 H new ATOM 0 HD13 LEU A 44 1.910 -2.753 2.374 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.288 -1.731 -0.089 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.200 -0.931 1.499 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.666 0.002 0.057 1.00 1.00 H new ATOM 702 N LYS A 45 5.049 -1.495 3.738 1.00 1.00 N ATOM 703 CA LYS A 45 5.565 -1.650 5.087 1.00 1.00 C ATOM 704 C LYS A 45 7.084 -1.466 5.071 1.00 1.00 C ATOM 705 O LYS A 45 7.756 -1.732 6.067 1.00 1.00 O ATOM 706 CB LYS A 45 5.114 -2.985 5.683 1.00 1.00 C ATOM 707 CG LYS A 45 5.443 -3.058 7.175 1.00 1.00 C ATOM 708 CD LYS A 45 6.107 -4.391 7.526 1.00 1.00 C ATOM 709 CE LYS A 45 5.429 -5.041 8.734 1.00 1.00 C ATOM 710 NZ LYS A 45 5.953 -4.467 9.993 1.00 1.00 N ATOM 0 H LYS A 45 4.777 -2.366 3.283 1.00 1.00 H new ATOM 0 HA LYS A 45 5.157 -0.880 5.742 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.041 -3.108 5.537 1.00 1.00 H new ATOM 0 HB3 LYS A 45 5.604 -3.806 5.158 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.105 -2.236 7.446 1.00 1.00 H new ATOM 0 HG3 LYS A 45 4.530 -2.938 7.759 1.00 1.00 H new ATOM 0 HD2 LYS A 45 6.055 -5.064 6.670 1.00 1.00 H new ATOM 0 HD3 LYS A 45 7.163 -4.230 7.741 1.00 1.00 H new ATOM 0 HE2 LYS A 45 4.351 -4.889 8.679 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.600 -6.117 8.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 5.482 -4.919 10.803 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 6.978 -4.634 10.051 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 5.767 -3.444 10.012 1.00 1.00 H new ATOM 724 N SER A 46 7.582 -1.013 3.930 1.00 1.00 N ATOM 725 CA SER A 46 9.009 -0.790 3.771 1.00 1.00 C ATOM 726 C SER A 46 9.351 0.665 4.099 1.00 1.00 C ATOM 727 O SER A 46 9.546 1.479 3.198 1.00 1.00 O ATOM 728 CB SER A 46 9.466 -1.136 2.352 1.00 1.00 C ATOM 729 OG SER A 46 10.862 -1.413 2.294 1.00 1.00 O ATOM 0 H SER A 46 7.022 -0.794 3.106 1.00 1.00 H new ATOM 0 HA SER A 46 9.537 -1.446 4.464 1.00 1.00 H new ATOM 0 HB2 SER A 46 8.909 -2.002 1.993 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.233 -0.307 1.684 1.00 1.00 H new ATOM 0 HG SER A 46 11.086 -1.783 1.415 1.00 1.00 H new ATOM 735 N ILE A 47 9.413 0.947 5.392 1.00 1.00 N ATOM 736 CA ILE A 47 9.729 2.290 5.850 1.00 1.00 C ATOM 737 C ILE A 47 10.847 2.871 4.982 1.00 1.00 C ATOM 738 O ILE A 47 10.666 3.905 4.341 1.00 1.00 O ATOM 739 CB ILE A 47 10.052 2.283 7.345 1.00 1.00 C ATOM 740 CG1 ILE A 47 9.223 3.333 8.090 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.552 2.464 7.583 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.732 3.164 7.794 1.00 1.00 C ATOM 0 H ILE A 47 9.250 0.269 6.137 1.00 1.00 H new ATOM 0 HA ILE A 47 8.865 2.944 5.737 1.00 1.00 H new ATOM 0 HB ILE A 47 9.777 1.309 7.749 1.00 1.00 H new ATOM 0 HG12 ILE A 47 9.397 3.245 9.162 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.545 4.332 7.796 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.754 2.455 8.654 1.00 1.00 H new ATOM 0 HG22 ILE A 47 12.097 1.651 7.104 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.875 3.415 7.161 1.00 1.00 H new ATOM 0 HD11 ILE A 47 7.165 3.922 8.335 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.558 3.277 6.724 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.408 2.173 8.112 1.00 1.00 H new ATOM 754 N MET A 48 11.977 2.180 4.989 1.00 1.00 N ATOM 755 CA MET A 48 13.125 2.615 4.210 1.00 1.00 C ATOM 756 C MET A 48 12.689 3.149 2.844 1.00 1.00 C ATOM 757 O MET A 48 12.798 4.345 2.578 1.00 1.00 O ATOM 758 CB MET A 48 14.085 1.440 4.017 1.00 1.00 C ATOM 759 CG MET A 48 13.340 0.105 4.084 1.00 1.00 C ATOM 760 SD MET A 48 14.104 -1.077 2.986 1.00 1.00 S ATOM 761 CE MET A 48 13.719 -0.330 1.411 1.00 1.00 C ATOM 0 H MET A 48 12.123 1.322 5.521 1.00 1.00 H new ATOM 0 HA MET A 48 13.625 3.419 4.751 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.588 1.532 3.054 1.00 1.00 H new ATOM 0 HB3 MET A 48 14.858 1.468 4.785 1.00 1.00 H new ATOM 0 HG2 MET A 48 13.350 -0.276 5.105 1.00 1.00 H new ATOM 0 HG3 MET A 48 12.295 0.248 3.808 1.00 1.00 H new ATOM 0 HE1 MET A 48 13.933 -1.038 0.610 1.00 1.00 H new ATOM 0 HE2 MET A 48 12.663 -0.060 1.385 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.326 0.565 1.275 1.00 1.00 H new ATOM 771 N GLY A 49 12.206 2.236 2.014 1.00 1.00 N ATOM 772 CA GLY A 49 11.754 2.600 0.682 1.00 1.00 C ATOM 773 C GLY A 49 10.660 3.667 0.747 1.00 1.00 C ATOM 774 O GLY A 49 10.784 4.727 0.135 1.00 1.00 O ATOM 0 H GLY A 49 12.118 1.245 2.238 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.596 2.972 0.098 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.375 1.716 0.169 1.00 1.00 H new ATOM 778 N VAL A 50 9.612 3.351 1.494 1.00 1.00 N ATOM 779 CA VAL A 50 8.497 4.269 1.647 1.00 1.00 C ATOM 780 C VAL A 50 9.013 5.607 2.181 1.00 1.00 C ATOM 781 O VAL A 50 8.702 6.661 1.629 1.00 1.00 O ATOM 782 CB VAL A 50 7.422 3.644 2.539 1.00 1.00 C ATOM 783 CG1 VAL A 50 6.919 4.649 3.577 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.266 3.094 1.702 1.00 1.00 C ATOM 0 H VAL A 50 9.512 2.471 2.000 1.00 1.00 H new ATOM 0 HA VAL A 50 8.027 4.463 0.683 1.00 1.00 H new ATOM 0 HB VAL A 50 7.874 2.809 3.074 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.156 4.180 4.198 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.750 4.971 4.205 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.492 5.514 3.069 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.516 2.656 2.361 1.00 1.00 H new ATOM 0 HG22 VAL A 50 5.816 3.903 1.127 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.641 2.331 1.021 1.00 1.00 H new ATOM 794 N MET A 51 9.793 5.520 3.249 1.00 1.00 N ATOM 795 CA MET A 51 10.355 6.711 3.863 1.00 1.00 C ATOM 796 C MET A 51 10.825 7.706 2.800 1.00 1.00 C ATOM 797 O MET A 51 10.425 8.869 2.814 1.00 1.00 O ATOM 798 CB MET A 51 11.536 6.317 4.753 1.00 1.00 C ATOM 799 CG MET A 51 12.232 7.556 5.320 1.00 1.00 C ATOM 800 SD MET A 51 11.136 8.413 6.439 1.00 1.00 S ATOM 801 CE MET A 51 10.167 7.038 7.037 1.00 1.00 C ATOM 0 H MET A 51 10.049 4.644 3.704 1.00 1.00 H new ATOM 0 HA MET A 51 9.580 7.189 4.463 1.00 1.00 H new ATOM 0 HB2 MET A 51 11.186 5.686 5.570 1.00 1.00 H new ATOM 0 HB3 MET A 51 12.249 5.726 4.177 1.00 1.00 H new ATOM 0 HG2 MET A 51 13.143 7.264 5.842 1.00 1.00 H new ATOM 0 HG3 MET A 51 12.529 8.220 4.508 1.00 1.00 H new ATOM 0 HE1 MET A 51 9.565 7.359 7.887 1.00 1.00 H new ATOM 0 HE2 MET A 51 9.511 6.682 6.242 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.832 6.232 7.347 1.00 1.00 H new ATOM 811 N SER A 52 11.668 7.213 1.905 1.00 1.00 N ATOM 812 CA SER A 52 12.198 8.045 0.838 1.00 1.00 C ATOM 813 C SER A 52 11.065 8.490 -0.089 1.00 1.00 C ATOM 814 O SER A 52 11.171 9.518 -0.755 1.00 1.00 O ATOM 815 CB SER A 52 13.273 7.302 0.043 1.00 1.00 C ATOM 816 OG SER A 52 12.755 6.736 -1.158 1.00 1.00 O ATOM 0 H SER A 52 11.997 6.248 1.897 1.00 1.00 H new ATOM 0 HA SER A 52 12.659 8.925 1.287 1.00 1.00 H new ATOM 0 HB2 SER A 52 14.083 7.989 -0.200 1.00 1.00 H new ATOM 0 HB3 SER A 52 13.700 6.512 0.661 1.00 1.00 H new ATOM 0 HG SER A 52 13.495 6.412 -1.713 1.00 1.00 H new ATOM 822 N LEU A 53 10.006 7.693 -0.102 1.00 1.00 N ATOM 823 CA LEU A 53 8.855 7.992 -0.937 1.00 1.00 C ATOM 824 C LEU A 53 7.822 8.766 -0.115 1.00 1.00 C ATOM 825 O LEU A 53 7.888 9.990 -0.023 1.00 1.00 O ATOM 826 CB LEU A 53 8.305 6.712 -1.569 1.00 1.00 C ATOM 827 CG LEU A 53 8.466 6.590 -3.086 1.00 1.00 C ATOM 828 CD1 LEU A 53 7.742 5.351 -3.616 1.00 1.00 C ATOM 829 CD2 LEU A 53 8.007 7.868 -3.791 1.00 1.00 C ATOM 0 H LEU A 53 9.921 6.841 0.452 1.00 1.00 H new ATOM 0 HA LEU A 53 9.144 8.632 -1.770 1.00 1.00 H new ATOM 0 HB2 LEU A 53 8.797 5.859 -1.102 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.244 6.639 -1.329 1.00 1.00 H new ATOM 0 HG LEU A 53 9.526 6.463 -3.308 1.00 1.00 H new ATOM 0 HD11 LEU A 53 7.872 5.288 -4.696 1.00 1.00 H new ATOM 0 HD12 LEU A 53 8.157 4.459 -3.148 1.00 1.00 H new ATOM 0 HD13 LEU A 53 6.680 5.422 -3.382 1.00 1.00 H new ATOM 0 HD21 LEU A 53 8.132 7.754 -4.868 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.957 8.051 -3.565 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.605 8.710 -3.443 1.00 1.00 H new ATOM 841 N GLY A 54 6.892 8.018 0.462 1.00 1.00 N ATOM 842 CA GLY A 54 5.847 8.618 1.273 1.00 1.00 C ATOM 843 C GLY A 54 4.959 9.537 0.431 1.00 1.00 C ATOM 844 O GLY A 54 5.457 10.301 -0.394 1.00 1.00 O ATOM 0 H GLY A 54 6.841 7.002 0.384 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.239 7.835 1.727 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.295 9.186 2.088 1.00 1.00 H new ATOM 848 N VAL A 55 3.660 9.433 0.670 1.00 1.00 N ATOM 849 CA VAL A 55 2.698 10.245 -0.056 1.00 1.00 C ATOM 850 C VAL A 55 1.838 11.023 0.942 1.00 1.00 C ATOM 851 O VAL A 55 2.116 11.021 2.140 1.00 1.00 O ATOM 852 CB VAL A 55 1.873 9.364 -0.997 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.286 9.581 -2.454 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.989 7.889 -0.608 1.00 1.00 C ATOM 0 H VAL A 55 3.251 8.799 1.356 1.00 1.00 H new ATOM 0 HA VAL A 55 3.210 10.975 -0.682 1.00 1.00 H new ATOM 0 HB VAL A 55 0.827 9.656 -0.899 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.684 8.943 -3.102 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.128 10.625 -2.725 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.340 9.330 -2.575 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.394 7.284 -1.292 1.00 1.00 H new ATOM 0 HG22 VAL A 55 3.032 7.579 -0.664 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.624 7.751 0.410 1.00 1.00 H new ATOM 864 N GLY A 56 0.812 11.671 0.411 1.00 1.00 N ATOM 865 CA GLY A 56 -0.091 12.452 1.240 1.00 1.00 C ATOM 866 C GLY A 56 -0.809 13.520 0.413 1.00 1.00 C ATOM 867 O GLY A 56 -1.916 13.293 -0.073 1.00 1.00 O ATOM 0 H GLY A 56 0.586 11.671 -0.584 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.824 11.793 1.705 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.468 12.926 2.046 1.00 1.00 H new ATOM 871 N GLN A 57 -0.150 14.661 0.278 1.00 1.00 N ATOM 872 CA GLN A 57 -0.712 15.765 -0.481 1.00 1.00 C ATOM 873 C GLN A 57 -1.389 15.245 -1.751 1.00 1.00 C ATOM 874 O GLN A 57 -0.807 15.293 -2.834 1.00 1.00 O ATOM 875 CB GLN A 57 0.361 16.802 -0.818 1.00 1.00 C ATOM 876 CG GLN A 57 1.227 16.335 -1.989 1.00 1.00 C ATOM 877 CD GLN A 57 2.645 16.900 -1.882 1.00 1.00 C ATOM 878 OE1 GLN A 57 2.881 17.951 -1.308 1.00 1.00 O ATOM 879 NE2 GLN A 57 3.573 16.147 -2.465 1.00 1.00 N ATOM 0 H GLN A 57 0.768 14.845 0.682 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.465 16.257 0.135 1.00 1.00 H new ATOM 0 HB2 GLN A 57 -0.112 17.752 -1.067 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.989 16.978 0.056 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.266 15.246 -2.005 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.775 16.652 -2.929 1.00 1.00 H new ATOM 0 HE21 GLN A 57 3.307 15.278 -2.929 1.00 1.00 H new ATOM 0 HE22 GLN A 57 4.550 16.438 -2.449 1.00 1.00 H new ATOM 888 N GLY A 58 -2.610 14.759 -1.577 1.00 1.00 N ATOM 889 CA GLY A 58 -3.372 14.231 -2.695 1.00 1.00 C ATOM 890 C GLY A 58 -2.484 13.390 -3.615 1.00 1.00 C ATOM 891 O GLY A 58 -2.893 13.028 -4.717 1.00 1.00 O ATOM 0 H GLY A 58 -3.090 14.720 -0.678 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.196 13.622 -2.323 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.812 15.053 -3.260 1.00 1.00 H new ATOM 895 N SER A 59 -1.285 13.105 -3.129 1.00 1.00 N ATOM 896 CA SER A 59 -0.336 12.314 -3.893 1.00 1.00 C ATOM 897 C SER A 59 -1.020 11.057 -4.436 1.00 1.00 C ATOM 898 O SER A 59 -2.113 10.702 -3.998 1.00 1.00 O ATOM 899 CB SER A 59 0.876 11.932 -3.041 1.00 1.00 C ATOM 900 OG SER A 59 1.513 13.075 -2.477 1.00 1.00 O ATOM 0 H SER A 59 -0.949 13.408 -2.215 1.00 1.00 H new ATOM 0 HA SER A 59 0.018 12.918 -4.729 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.561 11.261 -2.242 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.591 11.383 -3.654 1.00 1.00 H new ATOM 0 HG SER A 59 2.281 12.789 -1.939 1.00 1.00 H new ATOM 906 N ASP A 60 -0.348 10.419 -5.383 1.00 1.00 N ATOM 907 CA ASP A 60 -0.877 9.210 -5.991 1.00 1.00 C ATOM 908 C ASP A 60 0.160 8.090 -5.876 1.00 1.00 C ATOM 909 O ASP A 60 1.360 8.339 -5.975 1.00 1.00 O ATOM 910 CB ASP A 60 -1.178 9.425 -7.475 1.00 1.00 C ATOM 911 CG ASP A 60 0.053 9.618 -8.363 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.723 8.598 -8.633 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.295 10.781 -8.752 1.00 1.00 O ATOM 0 H ASP A 60 0.558 10.717 -5.744 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.798 8.947 -5.471 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.743 8.569 -7.844 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.822 10.299 -7.577 1.00 1.00 H new ATOM 918 N VAL A 61 -0.342 6.882 -5.668 1.00 1.00 N ATOM 919 CA VAL A 61 0.526 5.724 -5.539 1.00 1.00 C ATOM 920 C VAL A 61 -0.180 4.495 -6.116 1.00 1.00 C ATOM 921 O VAL A 61 -1.346 4.569 -6.501 1.00 1.00 O ATOM 922 CB VAL A 61 0.943 5.543 -4.078 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.742 6.749 -3.582 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.275 5.288 -3.188 1.00 1.00 C ATOM 0 H VAL A 61 -1.338 6.680 -5.586 1.00 1.00 H new ATOM 0 HA VAL A 61 1.443 5.869 -6.110 1.00 1.00 H new ATOM 0 HB VAL A 61 1.589 4.667 -4.020 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.026 6.594 -2.541 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.640 6.865 -4.189 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.131 7.648 -3.662 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.049 5.163 -2.155 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.958 6.135 -3.254 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.785 4.384 -3.520 1.00 1.00 H new ATOM 934 N THR A 62 0.556 3.394 -6.158 1.00 1.00 N ATOM 935 CA THR A 62 0.015 2.152 -6.681 1.00 1.00 C ATOM 936 C THR A 62 0.267 1.005 -5.700 1.00 1.00 C ATOM 937 O THR A 62 1.326 0.936 -5.080 1.00 1.00 O ATOM 938 CB THR A 62 0.627 1.914 -8.063 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.344 2.435 -8.967 1.00 1.00 O ATOM 940 CG2 THR A 62 0.709 0.429 -8.420 1.00 1.00 C ATOM 0 H THR A 62 1.523 3.337 -5.838 1.00 1.00 H new ATOM 0 HA THR A 62 -1.068 2.210 -6.794 1.00 1.00 H new ATOM 0 HB THR A 62 1.625 2.351 -8.098 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.099 3.002 -9.632 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.151 0.317 -9.410 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.327 -0.088 -7.686 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.292 -0.001 -8.418 1.00 1.00 H new ATOM 948 N ILE A 63 -0.726 0.134 -5.591 1.00 1.00 N ATOM 949 CA ILE A 63 -0.625 -1.006 -4.695 1.00 1.00 C ATOM 950 C ILE A 63 -0.573 -2.294 -5.520 1.00 1.00 C ATOM 951 O ILE A 63 -1.156 -2.367 -6.601 1.00 1.00 O ATOM 952 CB ILE A 63 -1.757 -0.981 -3.666 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.201 -0.970 -2.240 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.730 -2.139 -3.893 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.196 0.448 -1.665 1.00 1.00 C ATOM 0 H ILE A 63 -1.603 0.195 -6.108 1.00 1.00 H new ATOM 0 HA ILE A 63 0.299 -0.957 -4.119 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.320 -0.057 -3.799 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.803 -1.621 -1.606 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.187 -1.371 -2.238 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.525 -2.098 -3.148 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.163 -2.060 -4.890 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.197 -3.085 -3.803 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.796 0.428 -0.651 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.574 1.091 -2.288 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.214 0.837 -1.646 1.00 1.00 H new ATOM 967 N THR A 64 0.132 -3.277 -4.980 1.00 1.00 N ATOM 968 CA THR A 64 0.267 -4.558 -5.652 1.00 1.00 C ATOM 969 C THR A 64 0.014 -5.705 -4.672 1.00 1.00 C ATOM 970 O THR A 64 0.450 -5.652 -3.523 1.00 1.00 O ATOM 971 CB THR A 64 1.653 -4.607 -6.300 1.00 1.00 C ATOM 972 OG1 THR A 64 1.887 -3.266 -6.721 1.00 1.00 O ATOM 973 CG2 THR A 64 1.663 -5.414 -7.600 1.00 1.00 C ATOM 0 H THR A 64 0.616 -3.212 -4.084 1.00 1.00 H new ATOM 0 HA THR A 64 -0.480 -4.673 -6.437 1.00 1.00 H new ATOM 0 HB THR A 64 2.367 -5.040 -5.599 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.766 -3.207 -7.151 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.669 -5.417 -8.019 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.352 -6.438 -7.395 1.00 1.00 H new ATOM 0 HG23 THR A 64 0.975 -4.962 -8.314 1.00 1.00 H new ATOM 981 N VAL A 65 -0.691 -6.714 -5.161 1.00 1.00 N ATOM 982 CA VAL A 65 -1.008 -7.872 -4.343 1.00 1.00 C ATOM 983 C VAL A 65 -0.702 -9.147 -5.130 1.00 1.00 C ATOM 984 O VAL A 65 -1.204 -9.333 -6.238 1.00 1.00 O ATOM 985 CB VAL A 65 -2.462 -7.796 -3.870 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.422 -8.232 -4.978 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.670 -8.630 -2.604 1.00 1.00 C ATOM 0 H VAL A 65 -1.052 -6.754 -6.114 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.388 -7.887 -3.447 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.682 -6.757 -3.627 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.448 -8.169 -4.616 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.301 -7.579 -5.842 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.202 -9.260 -5.267 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.711 -8.559 -2.289 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.423 -9.672 -2.810 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -2.024 -8.254 -1.810 1.00 1.00 H new ATOM 997 N ASP A 66 0.121 -9.993 -4.528 1.00 1.00 N ATOM 998 CA ASP A 66 0.501 -11.246 -5.159 1.00 1.00 C ATOM 999 C ASP A 66 0.495 -12.361 -4.112 1.00 1.00 C ATOM 1000 O ASP A 66 1.186 -12.270 -3.099 1.00 1.00 O ATOM 1001 CB ASP A 66 1.909 -11.160 -5.751 1.00 1.00 C ATOM 1002 CG ASP A 66 2.542 -9.767 -5.715 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.800 -8.799 -5.990 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.753 -9.702 -5.413 1.00 1.00 O ATOM 0 H ASP A 66 0.536 -9.835 -3.609 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.213 -11.452 -5.956 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.557 -11.851 -5.211 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.873 -11.500 -6.786 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.292 -13.390 -4.394 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.396 -14.522 -3.489 1.00 1.00 C ATOM 1011 C GLY A 67 -1.849 -14.980 -3.349 1.00 1.00 C ATOM 1012 O GLY A 67 -2.698 -14.622 -4.165 1.00 1.00 O ATOM 0 H GLY A 67 -0.863 -13.463 -5.236 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.215 -15.346 -3.859 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -0.002 -14.248 -2.511 1.00 1.00 H new ATOM 1016 N ALA A 68 -2.092 -15.764 -2.310 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.427 -16.275 -2.053 1.00 1.00 C ATOM 1018 C ALA A 68 -4.334 -15.122 -1.617 1.00 1.00 C ATOM 1019 O ALA A 68 -5.397 -14.910 -2.199 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.356 -17.388 -1.006 1.00 1.00 C ATOM 0 H ALA A 68 -1.386 -16.058 -1.635 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.853 -16.707 -2.959 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.358 -17.771 -0.814 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.724 -18.195 -1.376 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.935 -16.992 -0.082 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.882 -14.409 -0.597 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.639 -13.283 -0.076 1.00 1.00 C ATOM 1028 C ASP A 69 -4.813 -12.238 -1.180 1.00 1.00 C ATOM 1029 O ASP A 69 -5.718 -11.407 -1.115 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.907 -12.620 1.092 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.523 -12.873 2.469 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -4.703 -14.065 2.799 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.800 -11.870 3.161 1.00 1.00 O ATOM 0 H ASP A 69 -3.000 -14.589 -0.117 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.604 -13.655 0.269 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.876 -12.973 1.102 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.875 -11.545 0.917 1.00 1.00 H new ATOM 1038 N GLU A 70 -3.933 -12.313 -2.167 1.00 1.00 N ATOM 1039 CA GLU A 70 -3.979 -11.384 -3.283 1.00 1.00 C ATOM 1040 C GLU A 70 -5.319 -10.646 -3.305 1.00 1.00 C ATOM 1041 O GLU A 70 -5.358 -9.419 -3.239 1.00 1.00 O ATOM 1042 CB GLU A 70 -3.728 -12.106 -4.609 1.00 1.00 C ATOM 1043 CG GLU A 70 -4.730 -13.244 -4.811 1.00 1.00 C ATOM 1044 CD GLU A 70 -5.956 -12.763 -5.591 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -5.904 -11.612 -6.076 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -6.917 -13.557 -5.684 1.00 1.00 O ATOM 0 H GLU A 70 -3.184 -13.003 -2.217 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.184 -10.649 -3.152 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -3.806 -11.397 -5.434 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.713 -12.503 -4.625 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.252 -14.064 -5.347 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -5.041 -13.636 -3.843 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.386 -11.427 -3.399 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.725 -10.863 -3.431 1.00 1.00 C ATOM 1055 C ALA A 71 -7.981 -10.094 -2.133 1.00 1.00 C ATOM 1056 O ALA A 71 -7.946 -8.865 -2.119 1.00 1.00 O ATOM 1057 CB ALA A 71 -8.744 -11.981 -3.657 1.00 1.00 C ATOM 0 H ALA A 71 -6.350 -12.445 -3.454 1.00 1.00 H new ATOM 0 HA ALA A 71 -7.825 -10.158 -4.257 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -9.748 -11.558 -3.681 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.536 -12.477 -4.605 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.675 -12.706 -2.846 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.232 -10.850 -1.074 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.493 -10.255 0.225 1.00 1.00 C ATOM 1065 C GLU A 72 -7.467 -9.160 0.524 1.00 1.00 C ATOM 1066 O GLU A 72 -7.832 -8.046 0.894 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.496 -11.319 1.325 1.00 1.00 C ATOM 1068 CG GLU A 72 -7.878 -12.626 0.825 1.00 1.00 C ATOM 1069 CD GLU A 72 -7.396 -13.486 1.995 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -7.139 -12.896 3.066 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -7.295 -14.715 1.791 1.00 1.00 O ATOM 0 H GLU A 72 -8.260 -11.869 -1.090 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.483 -9.801 0.202 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.939 -10.956 2.189 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -9.518 -11.500 1.658 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -8.613 -13.180 0.240 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.042 -12.407 0.161 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.202 -9.517 0.352 1.00 1.00 N ATOM 1079 CA GLY A 73 -5.120 -8.578 0.599 1.00 1.00 C ATOM 1080 C GLY A 73 -5.442 -7.203 0.011 1.00 1.00 C ATOM 1081 O GLY A 73 -5.797 -6.279 0.741 1.00 1.00 O ATOM 0 H GLY A 73 -5.902 -10.442 0.045 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.950 -8.488 1.672 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.197 -8.958 0.161 1.00 1.00 H new ATOM 1085 N MET A 74 -5.308 -7.111 -1.304 1.00 1.00 N ATOM 1086 CA MET A 74 -5.580 -5.864 -1.999 1.00 1.00 C ATOM 1087 C MET A 74 -6.941 -5.296 -1.592 1.00 1.00 C ATOM 1088 O MET A 74 -7.073 -4.094 -1.363 1.00 1.00 O ATOM 1089 CB MET A 74 -5.558 -6.106 -3.509 1.00 1.00 C ATOM 1090 CG MET A 74 -6.303 -7.392 -3.870 1.00 1.00 C ATOM 1091 SD MET A 74 -8.031 -7.039 -4.149 1.00 1.00 S ATOM 1092 CE MET A 74 -7.887 -5.676 -5.293 1.00 1.00 C ATOM 0 H MET A 74 -5.015 -7.880 -1.907 1.00 1.00 H new ATOM 0 HA MET A 74 -4.810 -5.142 -1.727 1.00 1.00 H new ATOM 0 HB2 MET A 74 -6.015 -5.260 -4.023 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.527 -6.170 -3.855 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.865 -7.837 -4.764 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.197 -8.121 -3.067 1.00 1.00 H new ATOM 0 HE1 MET A 74 -8.853 -5.491 -5.763 1.00 1.00 H new ATOM 0 HE2 MET A 74 -7.568 -4.783 -4.756 1.00 1.00 H new ATOM 0 HE3 MET A 74 -7.152 -5.921 -6.060 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.919 -6.186 -1.515 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.265 -5.789 -1.140 1.00 1.00 C ATOM 1104 C ALA A 75 -9.193 -4.776 0.005 1.00 1.00 C ATOM 1105 O ALA A 75 -9.636 -3.638 -0.140 1.00 1.00 O ATOM 1106 CB ALA A 75 -10.080 -7.030 -0.770 1.00 1.00 C ATOM 0 H ALA A 75 -7.806 -7.182 -1.706 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.769 -5.306 -1.977 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -11.090 -6.732 -0.489 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -10.126 -7.704 -1.626 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.606 -7.540 0.068 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.632 -5.227 1.117 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.497 -4.375 2.286 1.00 1.00 C ATOM 1114 C ALA A 76 -7.819 -3.064 1.880 1.00 1.00 C ATOM 1115 O ALA A 76 -8.402 -1.990 2.022 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.720 -5.120 3.374 1.00 1.00 C ATOM 0 H ALA A 76 -8.266 -6.172 1.233 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.476 -4.128 2.696 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.619 -4.481 4.251 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.257 -6.028 3.647 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.730 -5.382 3.000 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.598 -3.195 1.384 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.835 -2.035 0.956 1.00 1.00 C ATOM 1124 C ILE A 77 -6.740 -1.107 0.144 1.00 1.00 C ATOM 1125 O ILE A 77 -6.892 0.067 0.479 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.571 -2.469 0.212 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.345 -2.396 1.124 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.382 -1.653 -1.069 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.251 -1.031 1.808 1.00 1.00 C ATOM 0 H ILE A 77 -6.118 -4.087 1.269 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.488 -1.467 1.819 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.690 -3.511 -0.084 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.401 -3.181 1.878 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.442 -2.577 0.541 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.476 -1.981 -1.579 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.241 -1.800 -1.724 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.294 -0.596 -0.817 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.371 -1.006 2.450 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.171 -0.250 1.052 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.144 -0.863 2.410 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.316 -1.668 -0.909 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.202 -0.905 -1.773 1.00 1.00 C ATOM 1143 C VAL A 78 -9.266 -0.211 -0.920 1.00 1.00 C ATOM 1144 O VAL A 78 -9.346 1.017 -0.898 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.798 -1.816 -2.847 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.439 -0.996 -3.968 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.742 -2.773 -3.402 1.00 1.00 C ATOM 0 H VAL A 78 -7.187 -2.642 -1.184 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.647 -0.127 -2.297 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.581 -2.415 -2.381 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.855 -1.668 -4.718 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.235 -0.376 -3.556 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.685 -0.359 -4.430 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -8.192 -3.409 -4.164 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.927 -2.199 -3.844 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.353 -3.393 -2.595 1.00 1.00 H new ATOM 1157 N GLU A 79 -10.056 -1.026 -0.237 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.111 -0.506 0.615 1.00 1.00 C ATOM 1159 C GLU A 79 -10.544 0.524 1.594 1.00 1.00 C ATOM 1160 O GLU A 79 -11.109 1.603 1.763 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.822 -1.638 1.361 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.201 -1.911 0.757 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.308 -1.661 1.783 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.212 -2.258 2.877 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.225 -0.880 1.450 1.00 1.00 O ATOM 0 H GLU A 79 -9.986 -2.043 -0.257 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.849 -0.011 -0.016 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.216 -2.543 1.318 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.928 -1.375 2.413 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.354 -1.271 -0.112 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.251 -2.942 0.407 1.00 1.00 H new ATOM 1172 N THR A 80 -9.433 0.153 2.215 1.00 1.00 N ATOM 1173 CA THR A 80 -8.783 1.031 3.173 1.00 1.00 C ATOM 1174 C THR A 80 -8.357 2.336 2.497 1.00 1.00 C ATOM 1175 O THR A 80 -8.564 3.419 3.043 1.00 1.00 O ATOM 1176 CB THR A 80 -7.617 0.265 3.801 1.00 1.00 C ATOM 1177 OG1 THR A 80 -7.938 0.223 5.189 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.304 1.048 3.746 1.00 1.00 C ATOM 0 H THR A 80 -8.967 -0.743 2.073 1.00 1.00 H new ATOM 0 HA THR A 80 -9.467 1.322 3.970 1.00 1.00 H new ATOM 0 HB THR A 80 -7.492 -0.689 3.289 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.235 -0.258 5.673 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.510 0.459 4.205 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.048 1.256 2.707 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.418 1.988 4.287 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.770 2.191 1.318 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.314 3.345 0.562 1.00 1.00 C ATOM 1188 C LEU A 81 -8.436 4.382 0.496 1.00 1.00 C ATOM 1189 O LEU A 81 -8.203 5.568 0.726 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.794 2.914 -0.811 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.382 2.324 -0.839 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.444 3.188 -1.684 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.848 2.114 0.579 1.00 1.00 C ATOM 0 H LEU A 81 -7.600 1.292 0.868 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.470 3.819 1.063 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.483 2.176 -1.223 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.818 3.779 -1.474 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.430 1.344 -1.313 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.447 2.747 -1.687 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.821 3.242 -2.705 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.395 4.192 -1.262 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.843 1.694 0.531 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.817 3.070 1.101 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.503 1.428 1.116 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.628 3.899 0.182 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.787 4.770 0.083 1.00 1.00 C ATOM 1207 C GLN A 82 -11.546 4.796 1.411 1.00 1.00 C ATOM 1208 O GLN A 82 -12.393 5.661 1.630 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.703 4.336 -1.063 1.00 1.00 C ATOM 1210 CG GLN A 82 -10.903 3.666 -2.181 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.578 2.372 -2.640 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -11.742 2.111 -3.820 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -11.959 1.578 -1.643 1.00 1.00 N ATOM 0 H GLN A 82 -9.817 2.915 -0.007 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.440 5.780 -0.135 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.459 3.646 -0.688 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -12.232 5.203 -1.459 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.808 4.350 -3.025 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.894 3.449 -1.831 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -11.791 1.857 -0.676 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -12.419 0.690 -1.845 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.214 3.839 2.265 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.854 3.741 3.566 1.00 1.00 C ATOM 1224 C LYS A 83 -11.188 4.724 4.531 1.00 1.00 C ATOM 1225 O LYS A 83 -11.868 5.398 5.303 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.846 2.293 4.060 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.262 2.198 5.471 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.375 0.773 6.016 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.434 -0.247 4.878 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.695 -1.603 5.410 1.00 1.00 N ATOM 0 H LYS A 83 -10.510 3.124 2.081 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.905 4.023 3.496 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.862 1.898 4.056 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.261 1.676 3.378 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.216 2.504 5.457 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.787 2.887 6.133 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.521 0.557 6.659 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.269 0.686 6.634 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.218 0.031 4.173 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.493 -0.241 4.327 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.732 -2.283 4.624 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -10.933 -1.872 6.065 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.604 -1.609 5.916 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.866 4.773 4.457 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.101 5.662 5.314 1.00 1.00 C ATOM 1246 C GLU A 84 -8.898 7.016 4.630 1.00 1.00 C ATOM 1247 O GLU A 84 -8.097 7.831 5.084 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.759 5.035 5.696 1.00 1.00 C ATOM 1249 CG GLU A 84 -7.906 3.531 5.940 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.747 3.258 7.189 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.245 4.249 7.766 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -8.872 2.065 7.539 1.00 1.00 O ATOM 0 H GLU A 84 -9.305 4.211 3.816 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.665 5.822 6.233 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.033 5.209 4.902 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.371 5.516 6.594 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.372 3.062 5.074 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -6.921 3.079 6.055 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.639 7.213 3.550 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.551 8.454 2.799 1.00 1.00 C ATOM 1261 C GLY A 85 -8.108 8.739 2.378 1.00 1.00 C ATOM 1262 O GLY A 85 -7.784 9.855 1.974 1.00 1.00 O ATOM 0 H GLY A 85 -10.303 6.535 3.177 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.186 8.394 1.915 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.926 9.278 3.406 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.279 7.711 2.487 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.878 7.837 2.123 1.00 1.00 C ATOM 1268 C LEU A 86 -5.755 7.901 0.600 1.00 1.00 C ATOM 1269 O LEU A 86 -5.010 8.722 0.068 1.00 1.00 O ATOM 1270 CB LEU A 86 -5.056 6.714 2.760 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.093 7.135 3.871 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -2.873 6.213 3.917 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.694 8.605 3.723 1.00 1.00 C ATOM 0 H LEU A 86 -7.551 6.787 2.822 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.464 8.766 2.516 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.744 5.972 3.165 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.481 6.222 1.976 1.00 1.00 H new ATOM 0 HG LEU A 86 -4.609 7.036 4.826 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -2.204 6.534 4.715 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -3.197 5.189 4.105 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -2.347 6.258 2.963 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -3.009 8.879 4.525 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -3.204 8.754 2.761 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -4.585 9.231 3.777 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.498 7.024 -0.059 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.482 6.970 -1.511 1.00 1.00 C ATOM 1287 C ALA A 87 -7.918 6.883 -2.030 1.00 1.00 C ATOM 1288 O ALA A 87 -8.837 6.570 -1.275 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.623 5.790 -1.969 1.00 1.00 C ATOM 0 H ALA A 87 -7.115 6.345 0.386 1.00 1.00 H new ATOM 0 HA ALA A 87 -6.037 7.876 -1.924 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.611 5.750 -3.058 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.605 5.916 -1.599 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -6.040 4.863 -1.576 1.00 1.00 H new ATOM 1295 N GLU A 88 -8.067 7.164 -3.317 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.377 7.121 -3.945 1.00 1.00 C ATOM 1297 C GLU A 88 -9.595 5.767 -4.624 1.00 1.00 C ATOM 1298 O GLU A 88 -8.747 4.881 -4.536 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.543 8.268 -4.944 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.300 8.414 -5.824 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.685 8.760 -7.264 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -8.933 9.959 -7.512 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -8.723 7.817 -8.083 1.00 1.00 O ATOM 0 H GLU A 88 -7.303 7.422 -3.941 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.135 7.244 -3.171 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.417 8.086 -5.570 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.724 9.199 -4.407 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.653 9.193 -5.420 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.729 7.486 -5.810 1.00 1.00 H new ATOM 1310 N GLN A 89 -10.737 5.650 -5.285 1.00 1.00 N ATOM 1311 CA GLN A 89 -11.078 4.419 -5.978 1.00 1.00 C ATOM 1312 C GLN A 89 -9.843 3.842 -6.673 1.00 1.00 C ATOM 1313 O GLN A 89 -9.344 4.416 -7.639 1.00 1.00 O ATOM 1314 CB GLN A 89 -12.212 4.650 -6.979 1.00 1.00 C ATOM 1315 CG GLN A 89 -13.524 4.964 -6.258 1.00 1.00 C ATOM 1316 CD GLN A 89 -13.815 6.466 -6.276 1.00 1.00 C ATOM 1317 OE1 GLN A 89 -12.948 7.294 -6.053 1.00 1.00 O ATOM 1318 NE2 GLN A 89 -15.079 6.769 -6.554 1.00 1.00 N ATOM 0 H GLN A 89 -11.438 6.387 -5.356 1.00 1.00 H new ATOM 0 HA GLN A 89 -11.428 3.695 -5.242 1.00 1.00 H new ATOM 0 HB2 GLN A 89 -11.952 5.473 -7.644 1.00 1.00 H new ATOM 0 HB3 GLN A 89 -12.338 3.764 -7.602 1.00 1.00 H new ATOM 0 HG2 GLN A 89 -14.343 4.426 -6.735 1.00 1.00 H new ATOM 0 HG3 GLN A 89 -13.470 4.613 -5.227 1.00 1.00 H new ATOM 0 HE21 GLN A 89 -15.755 6.026 -6.731 1.00 1.00 H new ATOM 0 HE22 GLN A 89 -15.373 7.745 -6.591 1.00 1.00 H new TER 1327 GLN A 89