USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 647 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 7 ASN : amide:sc= -0.195 K(o=-0.28,f=-0.87) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -117:sc= -0.0827 (180deg=-1.22) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0618 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.178 USER MOD Single : A 5 MET CE :methyl -151:sc= -0.252 (180deg=-1.14) USER MOD Single : A 12 SER OG : rot 90:sc= 2.15 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -72:sc= 0.356 USER MOD Single : A 21 GLN : amide:sc= -0.0276 K(o=-0.028,f=-1.3) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc=-0.00892 (180deg=-1.14) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.375 USER MOD Single : A 40 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.0059) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot -56:sc= 0.024 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.12) USER MOD Single : A 71 THR OG1 : rot 110:sc= -1.82 USER MOD Single : A 77 ASN : amide:sc= -0.965 X(o=-0.97,f=-1.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.679 2.872 -2.131 1.00 2.22 N ATOM 2 CA GLY A 1 6.596 3.987 -2.281 1.00 65.42 C ATOM 3 C GLY A 1 7.364 4.282 -1.008 1.00 22.51 C ATOM 4 O GLY A 1 7.045 3.772 0.067 1.00 43.33 O ATOM 0 H1 GLY A 1 5.971 2.096 -2.758 1.00 2.22 H new ATOM 0 H2 GLY A 1 5.691 2.543 -1.144 1.00 2.22 H new ATOM 0 H3 GLY A 1 4.717 3.177 -2.383 1.00 2.22 H new ATOM 0 HA2 GLY A 1 7.300 3.769 -3.084 1.00 65.42 H new ATOM 0 HA3 GLY A 1 6.038 4.875 -2.579 1.00 65.42 H new ATOM 8 N PRO A 2 8.404 5.122 -1.120 1.00 72.42 N ATOM 9 CA PRO A 2 9.242 5.501 0.021 1.00 14.42 C ATOM 10 C PRO A 2 8.502 6.394 1.012 1.00 73.32 C ATOM 11 O PRO A 2 8.548 6.168 2.220 1.00 5.23 O ATOM 12 CB PRO A 2 10.398 6.266 -0.627 1.00 4.22 C ATOM 13 CG PRO A 2 9.838 6.791 -1.904 1.00 33.34 C ATOM 14 CD PRO A 2 8.841 5.766 -2.370 1.00 62.21 C ATOM 0 HA PRO A 2 9.558 4.634 0.601 1.00 14.42 H new ATOM 0 HB2 PRO A 2 10.746 7.075 0.015 1.00 4.22 H new ATOM 0 HB3 PRO A 2 11.252 5.613 -0.808 1.00 4.22 H new ATOM 0 HG2 PRO A 2 9.361 7.759 -1.752 1.00 33.34 H new ATOM 0 HG3 PRO A 2 10.624 6.936 -2.645 1.00 33.34 H new ATOM 0 HD2 PRO A 2 8.006 6.228 -2.897 1.00 62.21 H new ATOM 0 HD3 PRO A 2 9.293 5.049 -3.055 1.00 62.21 H new ATOM 22 N GLY A 3 7.818 7.408 0.491 1.00 11.53 N ATOM 23 CA GLY A 3 7.077 8.319 1.345 1.00 44.23 C ATOM 24 C GLY A 3 7.717 9.692 1.421 1.00 75.45 C ATOM 25 O GLY A 3 7.022 10.702 1.535 1.00 23.43 O ATOM 0 H GLY A 3 7.764 7.615 -0.506 1.00 11.53 H new ATOM 0 HA2 GLY A 3 6.058 8.417 0.970 1.00 44.23 H new ATOM 0 HA3 GLY A 3 7.008 7.897 2.348 1.00 44.23 H new ATOM 29 N SER A 4 9.044 9.729 1.358 1.00 33.10 N ATOM 30 CA SER A 4 9.777 10.988 1.426 1.00 61.50 C ATOM 31 C SER A 4 9.657 11.758 0.114 1.00 22.44 C ATOM 32 O SER A 4 8.922 11.358 -0.788 1.00 32.33 O ATOM 33 CB SER A 4 11.251 10.727 1.745 1.00 55.03 C ATOM 34 OG SER A 4 11.892 11.909 2.192 1.00 62.32 O ATOM 0 H SER A 4 9.633 8.902 1.260 1.00 33.10 H new ATOM 0 HA SER A 4 9.341 11.592 2.222 1.00 61.50 H new ATOM 0 HB2 SER A 4 11.330 9.955 2.510 1.00 55.03 H new ATOM 0 HB3 SER A 4 11.757 10.348 0.857 1.00 55.03 H new ATOM 0 HG SER A 4 12.832 11.716 2.391 1.00 62.32 H new ATOM 40 N MET A 5 10.386 12.865 0.017 1.00 73.21 N ATOM 41 CA MET A 5 10.362 13.691 -1.184 1.00 45.24 C ATOM 42 C MET A 5 10.959 12.942 -2.371 1.00 62.34 C ATOM 43 O MET A 5 12.167 12.993 -2.606 1.00 74.33 O ATOM 44 CB MET A 5 11.132 14.993 -0.949 1.00 73.51 C ATOM 45 CG MET A 5 10.413 15.965 -0.028 1.00 24.03 C ATOM 46 SD MET A 5 11.504 17.250 0.612 1.00 2.21 S ATOM 47 CE MET A 5 12.653 16.270 1.575 1.00 3.54 C ATOM 0 H MET A 5 11.000 13.210 0.755 1.00 73.21 H new ATOM 0 HA MET A 5 9.322 13.927 -1.411 1.00 45.24 H new ATOM 0 HB2 MET A 5 12.108 14.757 -0.525 1.00 73.51 H new ATOM 0 HB3 MET A 5 11.311 15.478 -1.908 1.00 73.51 H new ATOM 0 HG2 MET A 5 9.588 16.430 -0.569 1.00 24.03 H new ATOM 0 HG3 MET A 5 9.977 15.415 0.806 1.00 24.03 H new ATOM 0 HE1 MET A 5 13.036 16.867 2.402 1.00 3.54 H new ATOM 0 HE2 MET A 5 12.141 15.391 1.968 1.00 3.54 H new ATOM 0 HE3 MET A 5 13.482 15.954 0.941 1.00 3.54 H new ATOM 57 N ASP A 6 10.106 12.247 -3.116 1.00 22.21 N ATOM 58 CA ASP A 6 10.549 11.487 -4.279 1.00 44.32 C ATOM 59 C ASP A 6 9.883 12.003 -5.551 1.00 30.11 C ATOM 60 O ASP A 6 9.179 13.011 -5.529 1.00 52.31 O ATOM 61 CB ASP A 6 10.240 10.001 -4.093 1.00 11.12 C ATOM 62 CG ASP A 6 8.752 9.728 -3.991 1.00 61.02 C ATOM 63 OD1 ASP A 6 8.180 9.955 -2.904 1.00 73.05 O ATOM 64 OD2 ASP A 6 8.160 9.288 -4.999 1.00 31.05 O ATOM 0 H ASP A 6 9.104 12.194 -2.935 1.00 22.21 H new ATOM 0 HA ASP A 6 11.627 11.616 -4.377 1.00 44.32 H new ATOM 0 HB2 ASP A 6 10.653 9.439 -4.931 1.00 11.12 H new ATOM 0 HB3 ASP A 6 10.735 9.640 -3.192 1.00 11.12 H new ATOM 69 N ASN A 7 10.112 11.304 -6.658 1.00 34.31 N ATOM 70 CA ASN A 7 9.535 11.692 -7.940 1.00 34.12 C ATOM 71 C ASN A 7 8.017 11.815 -7.839 1.00 22.54 C ATOM 72 O ASN A 7 7.421 12.742 -8.386 1.00 2.40 O ATOM 73 CB ASN A 7 9.904 10.672 -9.019 1.00 2.02 C ATOM 74 CG ASN A 7 9.760 9.242 -8.536 1.00 24.31 C ATOM 75 OD1 ASN A 7 10.694 8.667 -7.977 1.00 23.32 O ATOM 76 ND2 ASN A 7 8.586 8.660 -8.751 1.00 10.23 N ATOM 0 H ASN A 7 10.693 10.466 -6.693 1.00 34.31 H new ATOM 0 HA ASN A 7 9.943 12.665 -8.214 1.00 34.12 H new ATOM 0 HB2 ASN A 7 9.268 10.824 -9.891 1.00 2.02 H new ATOM 0 HB3 ASN A 7 10.932 10.842 -9.340 1.00 2.02 H new ATOM 0 HD21 ASN A 7 8.431 7.698 -8.449 1.00 10.23 H new ATOM 0 HD22 ASN A 7 7.840 9.175 -9.218 1.00 10.23 H new ATOM 83 N ASP A 8 7.399 10.873 -7.135 1.00 31.23 N ATOM 84 CA ASP A 8 5.951 10.876 -6.960 1.00 21.43 C ATOM 85 C ASP A 8 5.506 12.075 -6.129 1.00 45.41 C ATOM 86 O ASP A 8 4.319 12.393 -6.066 1.00 63.45 O ATOM 87 CB ASP A 8 5.494 9.579 -6.290 1.00 64.41 C ATOM 88 CG ASP A 8 4.061 9.224 -6.632 1.00 73.14 C ATOM 89 OD1 ASP A 8 3.817 8.775 -7.772 1.00 30.34 O ATOM 90 OD2 ASP A 8 3.182 9.397 -5.761 1.00 62.54 O ATOM 0 H ASP A 8 7.878 10.098 -6.676 1.00 31.23 H new ATOM 0 HA ASP A 8 5.491 10.949 -7.946 1.00 21.43 H new ATOM 0 HB2 ASP A 8 6.150 8.764 -6.597 1.00 64.41 H new ATOM 0 HB3 ASP A 8 5.593 9.678 -5.209 1.00 64.41 H new ATOM 95 N GLU A 9 6.468 12.737 -5.493 1.00 11.23 N ATOM 96 CA GLU A 9 6.174 13.901 -4.664 1.00 70.34 C ATOM 97 C GLU A 9 6.434 15.194 -5.431 1.00 41.22 C ATOM 98 O GLU A 9 5.830 16.229 -5.147 1.00 21.23 O ATOM 99 CB GLU A 9 7.018 13.873 -3.389 1.00 23.34 C ATOM 100 CG GLU A 9 6.599 12.793 -2.405 1.00 43.01 C ATOM 101 CD GLU A 9 5.172 12.966 -1.922 1.00 24.20 C ATOM 102 OE1 GLU A 9 4.838 14.068 -1.441 1.00 54.41 O ATOM 103 OE2 GLU A 9 4.390 11.997 -2.025 1.00 44.54 O ATOM 0 H GLU A 9 7.456 12.488 -5.536 1.00 11.23 H new ATOM 0 HA GLU A 9 5.119 13.865 -4.393 1.00 70.34 H new ATOM 0 HB2 GLU A 9 8.063 13.721 -3.659 1.00 23.34 H new ATOM 0 HB3 GLU A 9 6.953 14.844 -2.899 1.00 23.34 H new ATOM 0 HG2 GLU A 9 6.703 11.816 -2.877 1.00 43.01 H new ATOM 0 HG3 GLU A 9 7.273 12.806 -1.548 1.00 43.01 H new ATOM 110 N ILE A 10 7.337 15.127 -6.404 1.00 30.02 N ATOM 111 CA ILE A 10 7.677 16.292 -7.212 1.00 32.43 C ATOM 112 C ILE A 10 6.498 16.723 -8.077 1.00 52.40 C ATOM 113 O ILE A 10 6.064 17.874 -8.025 1.00 1.53 O ATOM 114 CB ILE A 10 8.890 16.013 -8.119 1.00 31.03 C ATOM 115 CG1 ILE A 10 10.110 15.637 -7.275 1.00 14.12 C ATOM 116 CG2 ILE A 10 9.192 17.226 -8.986 1.00 25.20 C ATOM 117 CD1 ILE A 10 11.188 14.920 -8.057 1.00 13.01 C ATOM 0 H ILE A 10 7.846 14.279 -6.652 1.00 30.02 H new ATOM 0 HA ILE A 10 7.929 17.095 -6.519 1.00 32.43 H new ATOM 0 HB ILE A 10 8.652 15.174 -8.772 1.00 31.03 H new ATOM 0 HG12 ILE A 10 10.531 16.542 -6.837 1.00 14.12 H new ATOM 0 HG13 ILE A 10 9.789 15.002 -6.449 1.00 14.12 H new ATOM 0 HG21 ILE A 10 10.052 17.014 -9.622 1.00 25.20 H new ATOM 0 HG22 ILE A 10 8.327 17.452 -9.609 1.00 25.20 H new ATOM 0 HG23 ILE A 10 9.414 18.082 -8.349 1.00 25.20 H new ATOM 0 HD11 ILE A 10 12.022 14.684 -7.396 1.00 13.01 H new ATOM 0 HD12 ILE A 10 10.783 13.998 -8.473 1.00 13.01 H new ATOM 0 HD13 ILE A 10 11.537 15.561 -8.867 1.00 13.01 H new ATOM 129 N PHE A 11 5.982 15.792 -8.872 1.00 32.31 N ATOM 130 CA PHE A 11 4.852 16.075 -9.749 1.00 15.24 C ATOM 131 C PHE A 11 3.576 16.290 -8.939 1.00 40.52 C ATOM 132 O PHE A 11 2.691 17.044 -9.344 1.00 72.01 O ATOM 133 CB PHE A 11 4.651 14.930 -10.743 1.00 53.13 C ATOM 134 CG PHE A 11 3.720 13.861 -10.247 1.00 12.12 C ATOM 135 CD1 PHE A 11 4.105 13.009 -9.224 1.00 61.24 C ATOM 136 CD2 PHE A 11 2.460 13.709 -10.802 1.00 35.32 C ATOM 137 CE1 PHE A 11 3.251 12.024 -8.766 1.00 73.23 C ATOM 138 CE2 PHE A 11 1.601 12.726 -10.347 1.00 74.34 C ATOM 139 CZ PHE A 11 1.996 11.883 -9.328 1.00 25.25 C ATOM 0 H PHE A 11 6.329 14.834 -8.927 1.00 32.31 H new ATOM 0 HA PHE A 11 5.071 16.990 -10.299 1.00 15.24 H new ATOM 0 HB2 PHE A 11 4.262 15.335 -11.677 1.00 53.13 H new ATOM 0 HB3 PHE A 11 5.619 14.482 -10.969 1.00 53.13 H new ATOM 0 HD1 PHE A 11 5.084 13.116 -8.780 1.00 61.24 H new ATOM 0 HD2 PHE A 11 2.145 14.366 -11.599 1.00 35.32 H new ATOM 0 HE1 PHE A 11 3.564 11.365 -7.970 1.00 73.23 H new ATOM 0 HE2 PHE A 11 0.621 12.618 -10.789 1.00 74.34 H new ATOM 0 HZ PHE A 11 1.326 11.115 -8.971 1.00 25.25 H new ATOM 149 N SER A 12 3.490 15.622 -7.793 1.00 54.34 N ATOM 150 CA SER A 12 2.321 15.736 -6.928 1.00 42.24 C ATOM 151 C SER A 12 2.307 17.082 -6.210 1.00 35.14 C ATOM 152 O SER A 12 1.265 17.728 -6.097 1.00 54.13 O ATOM 153 CB SER A 12 2.305 14.599 -5.906 1.00 32.35 C ATOM 154 OG SER A 12 1.938 13.372 -6.513 1.00 14.13 O ATOM 0 H SER A 12 4.215 14.997 -7.442 1.00 54.34 H new ATOM 0 HA SER A 12 1.429 15.667 -7.551 1.00 42.24 H new ATOM 0 HB2 SER A 12 3.290 14.502 -5.450 1.00 32.35 H new ATOM 0 HB3 SER A 12 1.605 14.836 -5.105 1.00 32.35 H new ATOM 0 HG SER A 12 2.742 12.914 -6.838 1.00 14.13 H new ATOM 160 N LYS A 13 3.471 17.499 -5.724 1.00 31.31 N ATOM 161 CA LYS A 13 3.595 18.768 -5.017 1.00 22.45 C ATOM 162 C LYS A 13 3.369 19.942 -5.963 1.00 1.53 C ATOM 163 O LYS A 13 2.566 20.833 -5.682 1.00 63.33 O ATOM 164 CB LYS A 13 4.977 18.880 -4.368 1.00 13.22 C ATOM 165 CG LYS A 13 5.146 20.122 -3.509 1.00 62.43 C ATOM 166 CD LYS A 13 6.189 19.911 -2.424 1.00 50.23 C ATOM 167 CE LYS A 13 6.205 21.066 -1.435 1.00 14.32 C ATOM 168 NZ LYS A 13 7.512 21.175 -0.730 1.00 51.20 N ATOM 0 H LYS A 13 4.343 16.976 -5.807 1.00 31.31 H new ATOM 0 HA LYS A 13 2.831 18.799 -4.240 1.00 22.45 H new ATOM 0 HB2 LYS A 13 5.154 17.997 -3.754 1.00 13.22 H new ATOM 0 HB3 LYS A 13 5.737 18.882 -5.149 1.00 13.22 H new ATOM 0 HG2 LYS A 13 5.438 20.963 -4.137 1.00 62.43 H new ATOM 0 HG3 LYS A 13 4.191 20.382 -3.052 1.00 62.43 H new ATOM 0 HD2 LYS A 13 5.982 18.981 -1.895 1.00 50.23 H new ATOM 0 HD3 LYS A 13 7.174 19.807 -2.880 1.00 50.23 H new ATOM 0 HE2 LYS A 13 5.998 21.998 -1.961 1.00 14.32 H new ATOM 0 HE3 LYS A 13 5.408 20.929 -0.704 1.00 14.32 H new ATOM 0 HZ1 LYS A 13 7.482 21.974 -0.065 1.00 51.20 H new ATOM 0 HZ2 LYS A 13 7.699 20.296 -0.207 1.00 51.20 H new ATOM 0 HZ3 LYS A 13 8.269 21.331 -1.425 1.00 51.20 H new ATOM 182 N VAL A 14 4.081 19.938 -7.085 1.00 50.03 N ATOM 183 CA VAL A 14 3.956 21.002 -8.074 1.00 52.02 C ATOM 184 C VAL A 14 2.533 21.084 -8.616 1.00 42.01 C ATOM 185 O VAL A 14 2.013 22.173 -8.862 1.00 24.33 O ATOM 186 CB VAL A 14 4.930 20.794 -9.249 1.00 72.21 C ATOM 187 CG1 VAL A 14 4.790 21.918 -10.264 1.00 70.34 C ATOM 188 CG2 VAL A 14 6.361 20.696 -8.743 1.00 41.31 C ATOM 0 H VAL A 14 4.751 19.209 -7.332 1.00 50.03 H new ATOM 0 HA VAL A 14 4.203 21.935 -7.568 1.00 52.02 H new ATOM 0 HB VAL A 14 4.679 19.856 -9.745 1.00 72.21 H new ATOM 0 HG11 VAL A 14 5.486 21.754 -11.087 1.00 70.34 H new ATOM 0 HG12 VAL A 14 3.770 21.936 -10.649 1.00 70.34 H new ATOM 0 HG13 VAL A 14 5.013 22.871 -9.785 1.00 70.34 H new ATOM 0 HG21 VAL A 14 7.036 20.549 -9.586 1.00 41.31 H new ATOM 0 HG22 VAL A 14 6.626 21.616 -8.222 1.00 41.31 H new ATOM 0 HG23 VAL A 14 6.448 19.853 -8.058 1.00 41.31 H new ATOM 198 N ARG A 15 1.908 19.926 -8.800 1.00 22.41 N ATOM 199 CA ARG A 15 0.545 19.866 -9.314 1.00 1.03 C ATOM 200 C ARG A 15 -0.443 20.439 -8.302 1.00 22.34 C ATOM 201 O ARG A 15 -1.338 21.205 -8.658 1.00 21.10 O ATOM 202 CB ARG A 15 0.167 18.422 -9.651 1.00 1.52 C ATOM 203 CG ARG A 15 -1.200 18.287 -10.301 1.00 61.11 C ATOM 204 CD ARG A 15 -1.170 18.725 -11.757 1.00 71.21 C ATOM 205 NE ARG A 15 -0.062 18.116 -12.489 1.00 55.41 N ATOM 206 CZ ARG A 15 0.351 18.537 -13.679 1.00 40.13 C ATOM 207 NH1 ARG A 15 -0.248 19.563 -14.268 1.00 61.24 N ATOM 208 NH2 ARG A 15 1.366 17.932 -14.282 1.00 62.34 N ATOM 0 H ARG A 15 2.324 19.016 -8.601 1.00 22.41 H new ATOM 0 HA ARG A 15 0.499 20.467 -10.222 1.00 1.03 H new ATOM 0 HB2 ARG A 15 0.920 18.004 -10.319 1.00 1.52 H new ATOM 0 HB3 ARG A 15 0.186 17.828 -8.738 1.00 1.52 H new ATOM 0 HG2 ARG A 15 -1.533 17.251 -10.238 1.00 61.11 H new ATOM 0 HG3 ARG A 15 -1.925 18.889 -9.754 1.00 61.11 H new ATOM 0 HD2 ARG A 15 -2.112 18.457 -12.236 1.00 71.21 H new ATOM 0 HD3 ARG A 15 -1.085 19.810 -11.807 1.00 71.21 H new ATOM 0 HE ARG A 15 0.420 17.325 -12.063 1.00 55.41 H new ATOM 0 HH11 ARG A 15 -1.028 20.031 -13.807 1.00 61.24 H new ATOM 0 HH12 ARG A 15 0.072 19.884 -15.182 1.00 61.24 H new ATOM 0 HH21 ARG A 15 1.830 17.143 -13.832 1.00 62.34 H new ATOM 0 HH22 ARG A 15 1.683 18.256 -15.196 1.00 62.34 H new ATOM 222 N SER A 16 -0.274 20.061 -7.038 1.00 61.14 N ATOM 223 CA SER A 16 -1.153 20.533 -5.975 1.00 51.22 C ATOM 224 C SER A 16 -1.213 22.058 -5.957 1.00 24.45 C ATOM 225 O SER A 16 -2.188 22.646 -5.488 1.00 61.41 O ATOM 226 CB SER A 16 -0.673 20.014 -4.619 1.00 23.52 C ATOM 227 OG SER A 16 -1.489 20.501 -3.568 1.00 21.21 O ATOM 0 H SER A 16 0.464 19.429 -6.726 1.00 61.14 H new ATOM 0 HA SER A 16 -2.155 20.149 -6.168 1.00 51.22 H new ATOM 0 HB2 SER A 16 -0.686 18.924 -4.618 1.00 23.52 H new ATOM 0 HB3 SER A 16 0.360 20.321 -4.454 1.00 23.52 H new ATOM 0 HG SER A 16 -1.162 20.153 -2.712 1.00 21.21 H new ATOM 233 N ILE A 17 -0.163 22.691 -6.469 1.00 61.40 N ATOM 234 CA ILE A 17 -0.096 24.146 -6.513 1.00 25.05 C ATOM 235 C ILE A 17 -1.140 24.716 -7.466 1.00 13.44 C ATOM 236 O ILE A 17 -1.950 25.561 -7.082 1.00 3.23 O ATOM 237 CB ILE A 17 1.300 24.632 -6.947 1.00 54.34 C ATOM 238 CG1 ILE A 17 2.366 24.130 -5.972 1.00 12.04 C ATOM 239 CG2 ILE A 17 1.328 26.151 -7.035 1.00 74.24 C ATOM 240 CD1 ILE A 17 3.778 24.266 -6.497 1.00 12.11 C ATOM 0 H ILE A 17 0.653 22.219 -6.859 1.00 61.40 H new ATOM 0 HA ILE A 17 -0.298 24.502 -5.503 1.00 25.05 H new ATOM 0 HB ILE A 17 1.519 24.226 -7.935 1.00 54.34 H new ATOM 0 HG12 ILE A 17 2.280 24.683 -5.037 1.00 12.04 H new ATOM 0 HG13 ILE A 17 2.172 23.082 -5.742 1.00 12.04 H new ATOM 0 HG21 ILE A 17 2.321 26.479 -7.343 1.00 74.24 H new ATOM 0 HG22 ILE A 17 0.592 26.487 -7.766 1.00 74.24 H new ATOM 0 HG23 ILE A 17 1.091 26.576 -6.060 1.00 74.24 H new ATOM 0 HD11 ILE A 17 4.481 23.890 -5.753 1.00 12.11 H new ATOM 0 HD12 ILE A 17 3.881 23.690 -7.417 1.00 12.11 H new ATOM 0 HD13 ILE A 17 3.991 25.315 -6.700 1.00 12.11 H new ATOM 252 N ILE A 18 -1.117 24.248 -8.709 1.00 35.12 N ATOM 253 CA ILE A 18 -2.065 24.709 -9.716 1.00 3.30 C ATOM 254 C ILE A 18 -3.440 24.084 -9.505 1.00 4.42 C ATOM 255 O ILE A 18 -4.464 24.692 -9.818 1.00 25.42 O ATOM 256 CB ILE A 18 -1.577 24.381 -11.140 1.00 12.05 C ATOM 257 CG1 ILE A 18 -1.540 22.866 -11.353 1.00 0.42 C ATOM 258 CG2 ILE A 18 -0.204 24.990 -11.383 1.00 32.43 C ATOM 259 CD1 ILE A 18 -1.078 22.462 -12.735 1.00 75.04 C ATOM 0 H ILE A 18 -0.453 23.550 -9.043 1.00 35.12 H new ATOM 0 HA ILE A 18 -2.140 25.791 -9.606 1.00 3.30 H new ATOM 0 HB ILE A 18 -2.276 24.813 -11.857 1.00 12.05 H new ATOM 0 HG12 ILE A 18 -0.877 22.419 -10.612 1.00 0.42 H new ATOM 0 HG13 ILE A 18 -2.535 22.458 -11.178 1.00 0.42 H new ATOM 0 HG21 ILE A 18 0.127 24.749 -12.393 1.00 32.43 H new ATOM 0 HG22 ILE A 18 -0.260 26.072 -11.268 1.00 32.43 H new ATOM 0 HG23 ILE A 18 0.506 24.585 -10.662 1.00 32.43 H new ATOM 0 HD11 ILE A 18 -1.076 21.375 -12.815 1.00 75.04 H new ATOM 0 HD12 ILE A 18 -1.754 22.880 -13.481 1.00 75.04 H new ATOM 0 HD13 ILE A 18 -0.070 22.840 -12.907 1.00 75.04 H new ATOM 271 N SER A 19 -3.455 22.868 -8.970 1.00 63.41 N ATOM 272 CA SER A 19 -4.704 22.159 -8.718 1.00 61.33 C ATOM 273 C SER A 19 -5.690 23.047 -7.966 1.00 32.21 C ATOM 274 O SER A 19 -6.904 22.892 -8.096 1.00 10.22 O ATOM 275 CB SER A 19 -4.438 20.881 -7.919 1.00 40.52 C ATOM 276 OG SER A 19 -4.439 19.743 -8.763 1.00 34.34 O ATOM 0 H SER A 19 -2.616 22.353 -8.703 1.00 63.41 H new ATOM 0 HA SER A 19 -5.142 21.892 -9.680 1.00 61.33 H new ATOM 0 HB2 SER A 19 -3.477 20.960 -7.410 1.00 40.52 H new ATOM 0 HB3 SER A 19 -5.199 20.766 -7.147 1.00 40.52 H new ATOM 0 HG SER A 19 -5.355 19.552 -9.054 1.00 34.34 H new ATOM 282 N GLU A 20 -5.158 23.977 -7.179 1.00 33.21 N ATOM 283 CA GLU A 20 -5.992 24.889 -6.405 1.00 4.33 C ATOM 284 C GLU A 20 -6.944 25.660 -7.314 1.00 15.00 C ATOM 285 O GLU A 20 -8.161 25.620 -7.131 1.00 3.33 O ATOM 286 CB GLU A 20 -5.119 25.868 -5.616 1.00 22.41 C ATOM 287 CG GLU A 20 -5.912 26.811 -4.727 1.00 71.31 C ATOM 288 CD GLU A 20 -5.081 27.382 -3.595 1.00 13.14 C ATOM 289 OE1 GLU A 20 -4.155 28.170 -3.878 1.00 42.23 O ATOM 290 OE2 GLU A 20 -5.357 27.041 -2.425 1.00 41.44 O ATOM 0 H GLU A 20 -4.155 24.119 -7.061 1.00 33.21 H new ATOM 0 HA GLU A 20 -6.583 24.296 -5.707 1.00 4.33 H new ATOM 0 HB2 GLU A 20 -4.420 25.303 -4.999 1.00 22.41 H new ATOM 0 HB3 GLU A 20 -4.524 26.456 -6.315 1.00 22.41 H new ATOM 0 HG2 GLU A 20 -6.307 27.628 -5.331 1.00 71.31 H new ATOM 0 HG3 GLU A 20 -6.768 26.279 -4.312 1.00 71.31 H new ATOM 297 N GLN A 21 -6.382 26.360 -8.293 1.00 44.43 N ATOM 298 CA GLN A 21 -7.181 27.141 -9.230 1.00 42.31 C ATOM 299 C GLN A 21 -7.659 26.276 -10.391 1.00 35.52 C ATOM 300 O GLN A 21 -8.831 26.318 -10.769 1.00 40.00 O ATOM 301 CB GLN A 21 -6.370 28.325 -9.762 1.00 33.24 C ATOM 302 CG GLN A 21 -7.229 29.472 -10.269 1.00 34.32 C ATOM 303 CD GLN A 21 -7.864 30.267 -9.145 1.00 33.30 C ATOM 304 OE1 GLN A 21 -7.354 30.296 -8.025 1.00 12.14 O ATOM 305 NE2 GLN A 21 -8.984 30.917 -9.439 1.00 1.41 N ATOM 0 H GLN A 21 -5.376 26.403 -8.458 1.00 44.43 H new ATOM 0 HA GLN A 21 -8.054 27.517 -8.697 1.00 42.31 H new ATOM 0 HB2 GLN A 21 -5.718 28.693 -8.970 1.00 33.24 H new ATOM 0 HB3 GLN A 21 -5.726 27.979 -10.571 1.00 33.24 H new ATOM 0 HG2 GLN A 21 -6.617 30.137 -10.879 1.00 34.32 H new ATOM 0 HG3 GLN A 21 -8.012 29.076 -10.916 1.00 34.32 H new ATOM 0 HE21 GLN A 21 -9.372 30.865 -10.381 1.00 1.41 H new ATOM 0 HE22 GLN A 21 -9.457 31.468 -8.723 1.00 1.41 H new ATOM 314 N LEU A 22 -6.747 25.491 -10.953 1.00 24.13 N ATOM 315 CA LEU A 22 -7.075 24.614 -12.072 1.00 13.45 C ATOM 316 C LEU A 22 -8.138 23.596 -11.671 1.00 62.24 C ATOM 317 O LEU A 22 -8.911 23.129 -12.508 1.00 51.31 O ATOM 318 CB LEU A 22 -5.820 23.892 -12.565 1.00 13.20 C ATOM 319 CG LEU A 22 -4.940 24.669 -13.544 1.00 41.42 C ATOM 320 CD1 LEU A 22 -4.472 25.975 -12.921 1.00 10.23 C ATOM 321 CD2 LEU A 22 -3.749 23.826 -13.976 1.00 74.33 C ATOM 0 H LEU A 22 -5.774 25.444 -10.652 1.00 24.13 H new ATOM 0 HA LEU A 22 -7.473 25.229 -12.880 1.00 13.45 H new ATOM 0 HB2 LEU A 22 -5.216 23.624 -11.699 1.00 13.20 H new ATOM 0 HB3 LEU A 22 -6.125 22.961 -13.042 1.00 13.20 H new ATOM 0 HG LEU A 22 -5.534 24.904 -14.428 1.00 41.42 H new ATOM 0 HD11 LEU A 22 -3.847 26.514 -13.633 1.00 10.23 H new ATOM 0 HD12 LEU A 22 -5.337 26.586 -12.663 1.00 10.23 H new ATOM 0 HD13 LEU A 22 -3.896 25.763 -12.020 1.00 10.23 H new ATOM 0 HD21 LEU A 22 -3.134 24.395 -14.673 1.00 74.33 H new ATOM 0 HD22 LEU A 22 -3.155 23.560 -13.101 1.00 74.33 H new ATOM 0 HD23 LEU A 22 -4.104 22.918 -14.464 1.00 74.33 H new ATOM 333 N ASP A 23 -8.171 23.257 -10.387 1.00 70.13 N ATOM 334 CA ASP A 23 -9.141 22.296 -9.875 1.00 10.10 C ATOM 335 C ASP A 23 -9.121 21.012 -10.699 1.00 11.15 C ATOM 336 O ASP A 23 -10.141 20.337 -10.841 1.00 41.23 O ATOM 337 CB ASP A 23 -10.545 22.902 -9.886 1.00 34.23 C ATOM 338 CG ASP A 23 -11.510 22.143 -8.996 1.00 71.31 C ATOM 339 OD1 ASP A 23 -11.043 21.472 -8.052 1.00 15.54 O ATOM 340 OD2 ASP A 23 -12.732 22.218 -9.245 1.00 2.11 O ATOM 0 H ASP A 23 -7.537 23.633 -9.682 1.00 70.13 H new ATOM 0 HA ASP A 23 -8.867 22.052 -8.849 1.00 10.10 H new ATOM 0 HB2 ASP A 23 -10.492 23.940 -9.558 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.926 22.910 -10.907 1.00 34.23 H new ATOM 345 N LYS A 24 -7.954 20.680 -11.240 1.00 2.52 N ATOM 346 CA LYS A 24 -7.799 19.478 -12.049 1.00 75.34 C ATOM 347 C LYS A 24 -7.193 18.344 -11.229 1.00 31.30 C ATOM 348 O LYS A 24 -6.844 18.525 -10.062 1.00 44.45 O ATOM 349 CB LYS A 24 -6.919 19.767 -13.267 1.00 53.43 C ATOM 350 CG LYS A 24 -7.633 20.539 -14.364 1.00 2.54 C ATOM 351 CD LYS A 24 -8.344 19.607 -15.330 1.00 14.13 C ATOM 352 CE LYS A 24 -7.452 19.233 -16.503 1.00 25.12 C ATOM 353 NZ LYS A 24 -8.132 18.298 -17.441 1.00 63.13 N ATOM 0 H LYS A 24 -7.100 21.228 -11.132 1.00 2.52 H new ATOM 0 HA LYS A 24 -8.788 19.170 -12.388 1.00 75.34 H new ATOM 0 HB2 LYS A 24 -6.044 20.333 -12.947 1.00 53.43 H new ATOM 0 HB3 LYS A 24 -6.557 18.823 -13.675 1.00 53.43 H new ATOM 0 HG2 LYS A 24 -8.356 21.222 -13.918 1.00 2.54 H new ATOM 0 HG3 LYS A 24 -6.912 21.149 -14.909 1.00 2.54 H new ATOM 0 HD2 LYS A 24 -8.653 18.704 -14.804 1.00 14.13 H new ATOM 0 HD3 LYS A 24 -9.250 20.087 -15.699 1.00 14.13 H new ATOM 0 HE2 LYS A 24 -7.159 20.136 -17.039 1.00 25.12 H new ATOM 0 HE3 LYS A 24 -6.537 18.772 -16.131 1.00 25.12 H new ATOM 0 HZ1 LYS A 24 -7.419 17.734 -17.947 1.00 63.13 H new ATOM 0 HZ2 LYS A 24 -8.759 17.664 -16.906 1.00 63.13 H new ATOM 0 HZ3 LYS A 24 -8.694 18.842 -18.127 1.00 63.13 H new ATOM 367 N LYS A 25 -7.070 17.174 -11.846 1.00 63.41 N ATOM 368 CA LYS A 25 -6.503 16.010 -11.175 1.00 22.03 C ATOM 369 C LYS A 25 -5.066 15.768 -11.626 1.00 71.41 C ATOM 370 O LYS A 25 -4.732 15.966 -12.793 1.00 65.15 O ATOM 371 CB LYS A 25 -7.353 14.769 -11.456 1.00 31.14 C ATOM 372 CG LYS A 25 -8.726 14.813 -10.808 1.00 55.34 C ATOM 373 CD LYS A 25 -9.774 15.367 -11.760 1.00 62.10 C ATOM 374 CE LYS A 25 -10.879 16.094 -11.010 1.00 53.22 C ATOM 375 NZ LYS A 25 -12.137 16.162 -11.805 1.00 42.31 N ATOM 0 H LYS A 25 -7.356 17.006 -12.811 1.00 63.41 H new ATOM 0 HA LYS A 25 -6.500 16.206 -10.103 1.00 22.03 H new ATOM 0 HB2 LYS A 25 -7.472 14.657 -12.534 1.00 31.14 H new ATOM 0 HB3 LYS A 25 -6.821 13.886 -11.101 1.00 31.14 H new ATOM 0 HG2 LYS A 25 -9.013 13.810 -10.493 1.00 55.34 H new ATOM 0 HG3 LYS A 25 -8.686 15.430 -9.910 1.00 55.34 H new ATOM 0 HD2 LYS A 25 -9.301 16.050 -12.466 1.00 62.10 H new ATOM 0 HD3 LYS A 25 -10.204 14.553 -12.344 1.00 62.10 H new ATOM 0 HE2 LYS A 25 -11.073 15.585 -10.066 1.00 53.22 H new ATOM 0 HE3 LYS A 25 -10.549 17.104 -10.766 1.00 53.22 H new ATOM 0 HZ1 LYS A 25 -12.866 16.665 -11.259 1.00 42.31 H new ATOM 0 HZ2 LYS A 25 -11.958 16.670 -12.695 1.00 42.31 H new ATOM 0 HZ3 LYS A 25 -12.466 15.199 -12.017 1.00 42.31 H new ATOM 389 N GLU A 26 -4.222 15.337 -10.694 1.00 33.53 N ATOM 390 CA GLU A 26 -2.822 15.067 -10.998 1.00 21.24 C ATOM 391 C GLU A 26 -2.691 13.890 -11.960 1.00 60.12 C ATOM 392 O GLU A 26 -1.648 13.699 -12.586 1.00 51.10 O ATOM 393 CB GLU A 26 -2.045 14.777 -9.712 1.00 5.11 C ATOM 394 CG GLU A 26 -2.570 13.578 -8.940 1.00 44.12 C ATOM 395 CD GLU A 26 -3.598 13.962 -7.894 1.00 4.41 C ATOM 396 OE1 GLU A 26 -3.982 15.150 -7.847 1.00 23.44 O ATOM 397 OE2 GLU A 26 -4.018 13.075 -7.122 1.00 61.11 O ATOM 0 H GLU A 26 -4.483 15.167 -9.723 1.00 33.53 H new ATOM 0 HA GLU A 26 -2.403 15.953 -11.476 1.00 21.24 H new ATOM 0 HB2 GLU A 26 -0.997 14.608 -9.961 1.00 5.11 H new ATOM 0 HB3 GLU A 26 -2.082 15.657 -9.069 1.00 5.11 H new ATOM 0 HG2 GLU A 26 -3.015 12.868 -9.637 1.00 44.12 H new ATOM 0 HG3 GLU A 26 -1.737 13.069 -8.455 1.00 44.12 H new ATOM 404 N ASP A 27 -3.756 13.104 -12.072 1.00 60.14 N ATOM 405 CA ASP A 27 -3.762 11.946 -12.958 1.00 64.34 C ATOM 406 C ASP A 27 -4.152 12.349 -14.377 1.00 62.41 C ATOM 407 O ASP A 27 -4.413 11.496 -15.224 1.00 73.35 O ATOM 408 CB ASP A 27 -4.726 10.880 -12.434 1.00 43.31 C ATOM 409 CG ASP A 27 -4.515 9.533 -13.096 1.00 25.45 C ATOM 410 OD1 ASP A 27 -3.344 9.141 -13.284 1.00 24.42 O ATOM 411 OD2 ASP A 27 -5.520 8.869 -13.424 1.00 51.41 O ATOM 0 H ASP A 27 -4.626 13.248 -11.560 1.00 60.14 H new ATOM 0 HA ASP A 27 -2.754 11.533 -12.981 1.00 64.34 H new ATOM 0 HB2 ASP A 27 -4.597 10.776 -11.357 1.00 43.31 H new ATOM 0 HB3 ASP A 27 -5.752 11.208 -12.602 1.00 43.31 H new ATOM 416 N GLU A 28 -4.190 13.654 -14.627 1.00 24.20 N ATOM 417 CA GLU A 28 -4.550 14.169 -15.943 1.00 31.23 C ATOM 418 C GLU A 28 -3.398 13.998 -16.928 1.00 62.44 C ATOM 419 O GLU A 28 -3.538 14.281 -18.118 1.00 41.44 O ATOM 420 CB GLU A 28 -4.939 15.646 -15.848 1.00 33.53 C ATOM 421 CG GLU A 28 -6.315 15.875 -15.245 1.00 30.22 C ATOM 422 CD GLU A 28 -7.436 15.427 -16.162 1.00 71.43 C ATOM 423 OE1 GLU A 28 -7.176 15.235 -17.368 1.00 41.54 O ATOM 424 OE2 GLU A 28 -8.574 15.267 -15.673 1.00 71.20 O ATOM 0 H GLU A 28 -3.976 14.373 -13.936 1.00 24.20 H new ATOM 0 HA GLU A 28 -5.404 13.598 -16.307 1.00 31.23 H new ATOM 0 HB2 GLU A 28 -4.196 16.171 -15.247 1.00 33.53 H new ATOM 0 HB3 GLU A 28 -4.911 16.085 -16.845 1.00 33.53 H new ATOM 0 HG2 GLU A 28 -6.387 15.337 -14.300 1.00 30.22 H new ATOM 0 HG3 GLU A 28 -6.437 16.934 -15.019 1.00 30.22 H new ATOM 431 N ILE A 29 -2.260 13.533 -16.424 1.00 61.50 N ATOM 432 CA ILE A 29 -1.084 13.323 -17.259 1.00 41.04 C ATOM 433 C ILE A 29 -1.430 12.511 -18.503 1.00 13.12 C ATOM 434 O ILE A 29 -1.663 11.304 -18.426 1.00 2.24 O ATOM 435 CB ILE A 29 0.036 12.603 -16.485 1.00 34.40 C ATOM 436 CG1 ILE A 29 0.446 13.421 -15.260 1.00 4.45 C ATOM 437 CG2 ILE A 29 1.233 12.358 -17.391 1.00 21.52 C ATOM 438 CD1 ILE A 29 0.921 14.817 -15.597 1.00 42.41 C ATOM 0 H ILE A 29 -2.127 13.294 -15.441 1.00 61.50 H new ATOM 0 HA ILE A 29 -0.731 14.310 -17.559 1.00 41.04 H new ATOM 0 HB ILE A 29 -0.340 11.638 -16.144 1.00 34.40 H new ATOM 0 HG12 ILE A 29 -0.402 13.489 -14.578 1.00 4.45 H new ATOM 0 HG13 ILE A 29 1.239 12.894 -14.730 1.00 4.45 H new ATOM 0 HG21 ILE A 29 2.016 11.848 -16.829 1.00 21.52 H new ATOM 0 HG22 ILE A 29 0.930 11.738 -18.235 1.00 21.52 H new ATOM 0 HG23 ILE A 29 1.612 13.311 -17.759 1.00 21.52 H new ATOM 0 HD11 ILE A 29 1.195 15.339 -14.680 1.00 42.41 H new ATOM 0 HD12 ILE A 29 1.789 14.757 -16.254 1.00 42.41 H new ATOM 0 HD13 ILE A 29 0.122 15.362 -16.100 1.00 42.41 H new ATOM 450 N THR A 30 -1.462 13.181 -19.651 1.00 4.03 N ATOM 451 CA THR A 30 -1.779 12.522 -20.912 1.00 3.54 C ATOM 452 C THR A 30 -1.446 13.419 -22.099 1.00 25.51 C ATOM 453 O THR A 30 -1.329 14.637 -21.958 1.00 75.53 O ATOM 454 CB THR A 30 -3.266 12.129 -20.981 1.00 54.24 C ATOM 455 OG1 THR A 30 -3.551 11.512 -22.242 1.00 33.45 O ATOM 456 CG2 THR A 30 -4.158 13.348 -20.795 1.00 64.21 C ATOM 0 H THR A 30 -1.272 14.180 -19.733 1.00 4.03 H new ATOM 0 HA THR A 30 -1.170 11.619 -20.960 1.00 3.54 H new ATOM 0 HB THR A 30 -3.470 11.423 -20.176 1.00 54.24 H new ATOM 0 HG1 THR A 30 -4.498 11.263 -22.278 1.00 33.45 H new ATOM 0 HG21 THR A 30 -5.204 13.045 -20.848 1.00 64.21 H new ATOM 0 HG22 THR A 30 -3.959 13.799 -19.823 1.00 64.21 H new ATOM 0 HG23 THR A 30 -3.951 14.074 -21.581 1.00 64.21 H new ATOM 464 N THR A 31 -1.293 12.809 -23.270 1.00 61.44 N ATOM 465 CA THR A 31 -0.972 13.551 -24.483 1.00 15.33 C ATOM 466 C THR A 31 -2.218 14.201 -25.075 1.00 1.13 C ATOM 467 O THR A 31 -2.128 15.013 -25.996 1.00 22.02 O ATOM 468 CB THR A 31 -0.328 12.641 -25.545 1.00 43.31 C ATOM 469 OG1 THR A 31 -1.309 11.752 -26.089 1.00 52.14 O ATOM 470 CG2 THR A 31 0.816 11.837 -24.946 1.00 63.14 C ATOM 0 H THR A 31 -1.386 11.802 -23.404 1.00 61.44 H new ATOM 0 HA THR A 31 -0.260 14.326 -24.200 1.00 15.33 H new ATOM 0 HB THR A 31 0.069 13.272 -26.340 1.00 43.31 H new ATOM 0 HG1 THR A 31 -0.891 11.178 -26.765 1.00 52.14 H new ATOM 0 HG21 THR A 31 1.256 11.201 -25.715 1.00 63.14 H new ATOM 0 HG22 THR A 31 1.575 12.517 -24.559 1.00 63.14 H new ATOM 0 HG23 THR A 31 0.438 11.216 -24.134 1.00 63.14 H new ATOM 478 N ASP A 32 -3.379 13.840 -24.540 1.00 60.51 N ATOM 479 CA ASP A 32 -4.644 14.389 -25.015 1.00 5.21 C ATOM 480 C ASP A 32 -5.073 15.579 -24.162 1.00 41.34 C ATOM 481 O ASP A 32 -6.227 16.004 -24.208 1.00 74.12 O ATOM 482 CB ASP A 32 -5.731 13.314 -24.996 1.00 22.31 C ATOM 483 CG ASP A 32 -5.671 12.408 -26.210 1.00 41.55 C ATOM 484 OD1 ASP A 32 -4.732 12.562 -27.019 1.00 3.13 O ATOM 485 OD2 ASP A 32 -6.564 11.547 -26.353 1.00 61.24 O ATOM 0 H ASP A 32 -3.471 13.169 -23.777 1.00 60.51 H new ATOM 0 HA ASP A 32 -4.501 14.731 -26.040 1.00 5.21 H new ATOM 0 HB2 ASP A 32 -5.628 12.713 -24.092 1.00 22.31 H new ATOM 0 HB3 ASP A 32 -6.710 13.792 -24.951 1.00 22.31 H new ATOM 490 N SER A 33 -4.136 16.112 -23.385 1.00 10.34 N ATOM 491 CA SER A 33 -4.419 17.250 -22.518 1.00 4.32 C ATOM 492 C SER A 33 -3.536 18.441 -22.880 1.00 15.31 C ATOM 493 O SER A 33 -4.029 19.547 -23.103 1.00 41.23 O ATOM 494 CB SER A 33 -4.203 16.868 -21.052 1.00 43.12 C ATOM 495 OG SER A 33 -5.255 16.045 -20.579 1.00 51.34 O ATOM 0 H SER A 33 -3.175 15.774 -23.338 1.00 10.34 H new ATOM 0 HA SER A 33 -5.461 17.535 -22.662 1.00 4.32 H new ATOM 0 HB2 SER A 33 -3.252 16.346 -20.945 1.00 43.12 H new ATOM 0 HB3 SER A 33 -4.141 17.770 -20.443 1.00 43.12 H new ATOM 0 HG SER A 33 -5.093 15.813 -19.641 1.00 51.34 H new ATOM 501 N ARG A 34 -2.230 18.206 -22.936 1.00 4.23 N ATOM 502 CA ARG A 34 -1.278 19.259 -23.269 1.00 64.31 C ATOM 503 C ARG A 34 -1.322 20.380 -22.235 1.00 22.54 C ATOM 504 O ARG A 34 -1.991 20.264 -21.207 1.00 42.55 O ATOM 505 CB ARG A 34 -1.574 19.822 -24.660 1.00 52.11 C ATOM 506 CG ARG A 34 -1.594 18.766 -25.753 1.00 42.44 C ATOM 507 CD ARG A 34 -2.626 19.090 -26.822 1.00 12.10 C ATOM 508 NE ARG A 34 -2.103 20.013 -27.826 1.00 75.54 N ATOM 509 CZ ARG A 34 -2.867 20.651 -28.706 1.00 71.33 C ATOM 510 NH1 ARG A 34 -4.180 20.468 -28.705 1.00 73.31 N ATOM 511 NH2 ARG A 34 -2.317 21.474 -29.589 1.00 53.44 N ATOM 0 H ARG A 34 -1.806 17.296 -22.755 1.00 4.23 H new ATOM 0 HA ARG A 34 -0.278 18.824 -23.265 1.00 64.31 H new ATOM 0 HB2 ARG A 34 -2.538 20.330 -24.639 1.00 52.11 H new ATOM 0 HB3 ARG A 34 -0.823 20.573 -24.906 1.00 52.11 H new ATOM 0 HG2 ARG A 34 -0.607 18.694 -26.209 1.00 42.44 H new ATOM 0 HG3 ARG A 34 -1.815 17.792 -25.316 1.00 42.44 H new ATOM 0 HD2 ARG A 34 -2.946 18.168 -27.308 1.00 12.10 H new ATOM 0 HD3 ARG A 34 -3.508 19.526 -26.354 1.00 12.10 H new ATOM 0 HE ARG A 34 -1.097 20.177 -27.853 1.00 75.54 H new ATOM 0 HH11 ARG A 34 -4.606 19.836 -28.027 1.00 73.31 H new ATOM 0 HH12 ARG A 34 -4.764 20.959 -29.382 1.00 73.31 H new ATOM 0 HH21 ARG A 34 -1.307 21.617 -29.593 1.00 53.44 H new ATOM 0 HH22 ARG A 34 -2.904 21.964 -30.264 1.00 53.44 H new ATOM 525 N PHE A 35 -0.604 21.463 -22.513 1.00 32.14 N ATOM 526 CA PHE A 35 -0.560 22.604 -21.606 1.00 11.12 C ATOM 527 C PHE A 35 -1.919 23.295 -21.535 1.00 4.31 C ATOM 528 O PHE A 35 -2.300 23.835 -20.496 1.00 70.31 O ATOM 529 CB PHE A 35 0.509 23.601 -22.058 1.00 60.11 C ATOM 530 CG PHE A 35 1.870 22.987 -22.221 1.00 3.33 C ATOM 531 CD1 PHE A 35 2.535 22.446 -21.132 1.00 43.42 C ATOM 532 CD2 PHE A 35 2.485 22.951 -23.462 1.00 75.11 C ATOM 533 CE1 PHE A 35 3.788 21.882 -21.279 1.00 63.11 C ATOM 534 CE2 PHE A 35 3.737 22.387 -23.615 1.00 43.32 C ATOM 535 CZ PHE A 35 4.390 21.851 -22.522 1.00 55.23 C ATOM 0 H PHE A 35 -0.045 21.575 -23.359 1.00 32.14 H new ATOM 0 HA PHE A 35 -0.307 22.236 -20.612 1.00 11.12 H new ATOM 0 HB2 PHE A 35 0.203 24.045 -23.006 1.00 60.11 H new ATOM 0 HB3 PHE A 35 0.569 24.411 -21.331 1.00 60.11 H new ATOM 0 HD1 PHE A 35 2.069 22.465 -20.158 1.00 43.42 H new ATOM 0 HD2 PHE A 35 1.980 23.369 -24.320 1.00 75.11 H new ATOM 0 HE1 PHE A 35 4.297 21.465 -20.422 1.00 63.11 H new ATOM 0 HE2 PHE A 35 4.205 22.365 -24.588 1.00 43.32 H new ATOM 0 HZ PHE A 35 5.368 21.409 -22.639 1.00 55.23 H new ATOM 545 N VAL A 36 -2.645 23.276 -22.648 1.00 63.42 N ATOM 546 CA VAL A 36 -3.961 23.899 -22.714 1.00 1.34 C ATOM 547 C VAL A 36 -4.898 23.316 -21.662 1.00 74.15 C ATOM 548 O VAL A 36 -5.537 24.051 -20.910 1.00 42.11 O ATOM 549 CB VAL A 36 -4.596 23.725 -24.106 1.00 32.31 C ATOM 550 CG1 VAL A 36 -3.904 24.617 -25.125 1.00 24.13 C ATOM 551 CG2 VAL A 36 -4.541 22.267 -24.537 1.00 34.10 C ATOM 0 H VAL A 36 -2.343 22.835 -23.517 1.00 63.42 H new ATOM 0 HA VAL A 36 -3.818 24.962 -22.520 1.00 1.34 H new ATOM 0 HB VAL A 36 -5.642 24.025 -24.049 1.00 32.31 H new ATOM 0 HG11 VAL A 36 -4.367 24.480 -26.102 1.00 24.13 H new ATOM 0 HG12 VAL A 36 -4.000 25.659 -24.821 1.00 24.13 H new ATOM 0 HG13 VAL A 36 -2.848 24.352 -25.183 1.00 24.13 H new ATOM 0 HG21 VAL A 36 -4.994 22.162 -25.523 1.00 34.10 H new ATOM 0 HG22 VAL A 36 -3.502 21.939 -24.578 1.00 34.10 H new ATOM 0 HG23 VAL A 36 -5.087 21.655 -23.819 1.00 34.10 H new ATOM 561 N GLU A 37 -4.975 21.990 -21.617 1.00 34.51 N ATOM 562 CA GLU A 37 -5.836 21.308 -20.657 1.00 61.53 C ATOM 563 C GLU A 37 -5.130 21.144 -19.314 1.00 73.01 C ATOM 564 O GLU A 37 -5.622 21.603 -18.283 1.00 4.12 O ATOM 565 CB GLU A 37 -6.253 19.938 -21.197 1.00 34.25 C ATOM 566 CG GLU A 37 -6.946 20.001 -22.547 1.00 72.04 C ATOM 567 CD GLU A 37 -7.652 18.707 -22.902 1.00 61.42 C ATOM 568 OE1 GLU A 37 -8.327 18.137 -22.020 1.00 11.04 O ATOM 569 OE2 GLU A 37 -7.529 18.263 -24.063 1.00 42.54 O ATOM 0 H GLU A 37 -4.453 21.367 -22.233 1.00 34.51 H new ATOM 0 HA GLU A 37 -6.726 21.919 -20.508 1.00 61.53 H new ATOM 0 HB2 GLU A 37 -5.369 19.306 -21.281 1.00 34.25 H new ATOM 0 HB3 GLU A 37 -6.919 19.461 -20.478 1.00 34.25 H new ATOM 0 HG2 GLU A 37 -7.670 20.816 -22.542 1.00 72.04 H new ATOM 0 HG3 GLU A 37 -6.211 20.233 -23.318 1.00 72.04 H new ATOM 576 N ASP A 38 -3.976 20.486 -19.335 1.00 53.41 N ATOM 577 CA ASP A 38 -3.202 20.262 -18.120 1.00 21.10 C ATOM 578 C ASP A 38 -2.811 21.587 -17.472 1.00 34.40 C ATOM 579 O ASP A 38 -3.207 21.878 -16.342 1.00 60.14 O ATOM 580 CB ASP A 38 -1.948 19.444 -18.433 1.00 31.45 C ATOM 581 CG ASP A 38 -1.358 18.793 -17.197 1.00 35.13 C ATOM 582 OD1 ASP A 38 -2.122 18.158 -16.439 1.00 42.14 O ATOM 583 OD2 ASP A 38 -0.134 18.919 -16.986 1.00 42.13 O ATOM 0 H ASP A 38 -3.556 20.099 -20.180 1.00 53.41 H new ATOM 0 HA ASP A 38 -3.825 19.706 -17.419 1.00 21.10 H new ATOM 0 HB2 ASP A 38 -2.193 18.674 -19.164 1.00 31.45 H new ATOM 0 HB3 ASP A 38 -1.200 20.091 -18.891 1.00 31.45 H new ATOM 588 N LEU A 39 -2.032 22.385 -18.193 1.00 73.02 N ATOM 589 CA LEU A 39 -1.587 23.679 -17.689 1.00 3.15 C ATOM 590 C LEU A 39 -2.679 24.731 -17.848 1.00 14.40 C ATOM 591 O LEU A 39 -3.795 24.423 -18.265 1.00 41.54 O ATOM 592 CB LEU A 39 -0.321 24.127 -18.422 1.00 71.51 C ATOM 593 CG LEU A 39 0.790 24.711 -17.549 1.00 15.42 C ATOM 594 CD1 LEU A 39 1.951 23.736 -17.439 1.00 4.32 C ATOM 595 CD2 LEU A 39 1.262 26.045 -18.109 1.00 15.33 C ATOM 0 H LEU A 39 -1.695 22.159 -19.129 1.00 73.02 H new ATOM 0 HA LEU A 39 -1.365 23.570 -16.627 1.00 3.15 H new ATOM 0 HB2 LEU A 39 0.082 23.272 -18.964 1.00 71.51 H new ATOM 0 HB3 LEU A 39 -0.601 24.873 -19.166 1.00 71.51 H new ATOM 0 HG LEU A 39 0.389 24.880 -16.549 1.00 15.42 H new ATOM 0 HD11 LEU A 39 2.732 24.169 -16.814 1.00 4.32 H new ATOM 0 HD12 LEU A 39 1.603 22.805 -16.992 1.00 4.32 H new ATOM 0 HD13 LEU A 39 2.352 23.534 -18.432 1.00 4.32 H new ATOM 0 HD21 LEU A 39 2.053 26.446 -17.475 1.00 15.33 H new ATOM 0 HD22 LEU A 39 1.645 25.901 -19.119 1.00 15.33 H new ATOM 0 HD23 LEU A 39 0.427 26.745 -18.134 1.00 15.33 H new ATOM 607 N ASN A 40 -2.350 25.975 -17.514 1.00 65.13 N ATOM 608 CA ASN A 40 -3.303 27.074 -17.622 1.00 64.51 C ATOM 609 C ASN A 40 -2.792 28.145 -18.581 1.00 25.05 C ATOM 610 O ASN A 40 -2.769 29.330 -18.248 1.00 74.34 O ATOM 611 CB ASN A 40 -3.563 27.687 -16.245 1.00 41.40 C ATOM 612 CG ASN A 40 -4.891 28.416 -16.178 1.00 75.53 C ATOM 613 OD1 ASN A 40 -4.946 29.603 -15.858 1.00 43.14 O ATOM 614 ND2 ASN A 40 -5.971 27.704 -16.481 1.00 15.52 N ATOM 0 H ASN A 40 -1.431 26.247 -17.166 1.00 65.13 H new ATOM 0 HA ASN A 40 -4.237 26.675 -18.017 1.00 64.51 H new ATOM 0 HB2 ASN A 40 -3.545 26.900 -15.491 1.00 41.40 H new ATOM 0 HB3 ASN A 40 -2.758 28.381 -16.001 1.00 41.40 H new ATOM 0 HD21 ASN A 40 -6.893 28.139 -16.454 1.00 15.52 H new ATOM 0 HD22 ASN A 40 -5.878 26.722 -16.741 1.00 15.52 H new ATOM 621 N ALA A 41 -2.382 27.719 -19.771 1.00 52.52 N ATOM 622 CA ALA A 41 -1.874 28.642 -20.779 1.00 30.02 C ATOM 623 C ALA A 41 -1.562 27.914 -22.082 1.00 53.20 C ATOM 624 O ALA A 41 -1.836 26.722 -22.219 1.00 21.41 O ATOM 625 CB ALA A 41 -0.635 29.358 -20.262 1.00 64.51 C ATOM 0 H ALA A 41 -2.392 26.741 -20.061 1.00 52.52 H new ATOM 0 HA ALA A 41 -2.649 29.381 -20.983 1.00 30.02 H new ATOM 0 HB1 ALA A 41 -0.266 30.044 -21.025 1.00 64.51 H new ATOM 0 HB2 ALA A 41 -0.888 29.918 -19.362 1.00 64.51 H new ATOM 0 HB3 ALA A 41 0.138 28.626 -20.029 1.00 64.51 H new ATOM 631 N ASP A 42 -0.990 28.639 -23.037 1.00 4.14 N ATOM 632 CA ASP A 42 -0.640 28.062 -24.329 1.00 73.04 C ATOM 633 C ASP A 42 0.869 27.879 -24.453 1.00 1.10 C ATOM 634 O ASP A 42 1.638 28.438 -23.671 1.00 21.54 O ATOM 635 CB ASP A 42 -1.154 28.950 -25.464 1.00 5.21 C ATOM 636 CG ASP A 42 -2.250 28.283 -26.270 1.00 54.43 C ATOM 637 OD1 ASP A 42 -3.098 27.595 -25.664 1.00 53.11 O ATOM 638 OD2 ASP A 42 -2.262 28.450 -27.508 1.00 3.53 O ATOM 0 H ASP A 42 -0.759 29.628 -22.940 1.00 4.14 H new ATOM 0 HA ASP A 42 -1.113 27.083 -24.401 1.00 73.04 H new ATOM 0 HB2 ASP A 42 -1.530 29.885 -25.048 1.00 5.21 H new ATOM 0 HB3 ASP A 42 -0.326 29.206 -26.125 1.00 5.21 H new ATOM 643 N SER A 43 1.286 27.093 -25.440 1.00 61.31 N ATOM 644 CA SER A 43 2.703 26.832 -25.663 1.00 44.11 C ATOM 645 C SER A 43 3.494 28.136 -25.715 1.00 31.12 C ATOM 646 O SER A 43 4.687 28.165 -25.408 1.00 15.20 O ATOM 647 CB SER A 43 2.901 26.050 -26.963 1.00 45.53 C ATOM 648 OG SER A 43 4.261 25.692 -27.141 1.00 10.31 O ATOM 0 H SER A 43 0.663 26.626 -26.098 1.00 61.31 H new ATOM 0 HA SER A 43 3.073 26.236 -24.829 1.00 44.11 H new ATOM 0 HB2 SER A 43 2.284 25.151 -26.948 1.00 45.53 H new ATOM 0 HB3 SER A 43 2.567 26.652 -27.808 1.00 45.53 H new ATOM 0 HG SER A 43 4.361 25.192 -27.978 1.00 10.31 H new ATOM 654 N LEU A 44 2.821 29.213 -26.105 1.00 64.10 N ATOM 655 CA LEU A 44 3.459 30.522 -26.198 1.00 24.45 C ATOM 656 C LEU A 44 4.185 30.867 -24.901 1.00 30.51 C ATOM 657 O LEU A 44 5.355 31.250 -24.916 1.00 14.54 O ATOM 658 CB LEU A 44 2.419 31.597 -26.515 1.00 32.03 C ATOM 659 CG LEU A 44 1.159 31.588 -25.648 1.00 1.30 C ATOM 660 CD1 LEU A 44 1.235 32.673 -24.585 1.00 23.13 C ATOM 661 CD2 LEU A 44 -0.082 31.770 -26.509 1.00 72.44 C ATOM 0 H LEU A 44 1.834 29.206 -26.362 1.00 64.10 H new ATOM 0 HA LEU A 44 4.191 30.485 -27.004 1.00 24.45 H new ATOM 0 HB2 LEU A 44 2.894 32.573 -26.420 1.00 32.03 H new ATOM 0 HB3 LEU A 44 2.119 31.488 -27.557 1.00 32.03 H new ATOM 0 HG LEU A 44 1.092 30.622 -25.148 1.00 1.30 H new ATOM 0 HD11 LEU A 44 0.330 32.652 -23.978 1.00 23.13 H new ATOM 0 HD12 LEU A 44 2.103 32.499 -23.949 1.00 23.13 H new ATOM 0 HD13 LEU A 44 1.327 33.647 -25.065 1.00 23.13 H new ATOM 0 HD21 LEU A 44 -0.969 31.761 -25.875 1.00 72.44 H new ATOM 0 HD22 LEU A 44 -0.022 32.722 -27.036 1.00 72.44 H new ATOM 0 HD23 LEU A 44 -0.145 30.957 -27.233 1.00 72.44 H new ATOM 673 N ASP A 45 3.484 30.725 -23.781 1.00 41.04 N ATOM 674 CA ASP A 45 4.062 31.018 -22.475 1.00 42.41 C ATOM 675 C ASP A 45 4.931 29.861 -21.993 1.00 35.43 C ATOM 676 O ASP A 45 5.787 30.034 -21.125 1.00 62.13 O ATOM 677 CB ASP A 45 2.957 31.302 -21.457 1.00 1.24 C ATOM 678 CG ASP A 45 3.479 31.999 -20.215 1.00 73.03 C ATOM 679 OD1 ASP A 45 4.694 32.284 -20.161 1.00 33.45 O ATOM 680 OD2 ASP A 45 2.672 32.261 -19.299 1.00 31.50 O ATOM 0 H ASP A 45 2.515 30.409 -23.752 1.00 41.04 H new ATOM 0 HA ASP A 45 4.690 31.903 -22.573 1.00 42.41 H new ATOM 0 HB2 ASP A 45 2.189 31.921 -21.922 1.00 1.24 H new ATOM 0 HB3 ASP A 45 2.481 30.364 -21.171 1.00 1.24 H new ATOM 685 N ILE A 46 4.702 28.681 -22.559 1.00 65.45 N ATOM 686 CA ILE A 46 5.464 27.495 -22.187 1.00 31.10 C ATOM 687 C ILE A 46 6.865 27.530 -22.789 1.00 33.43 C ATOM 688 O ILE A 46 7.806 26.967 -22.229 1.00 61.23 O ATOM 689 CB ILE A 46 4.755 26.205 -22.640 1.00 53.10 C ATOM 690 CG1 ILE A 46 3.327 26.163 -22.092 1.00 31.34 C ATOM 691 CG2 ILE A 46 5.538 24.982 -22.187 1.00 5.42 C ATOM 692 CD1 ILE A 46 3.261 26.016 -20.588 1.00 4.35 C ATOM 0 H ILE A 46 3.995 28.521 -23.277 1.00 65.45 H new ATOM 0 HA ILE A 46 5.538 27.496 -21.100 1.00 31.10 H new ATOM 0 HB ILE A 46 4.707 26.198 -23.729 1.00 53.10 H new ATOM 0 HG12 ILE A 46 2.808 27.076 -22.383 1.00 31.34 H new ATOM 0 HG13 ILE A 46 2.794 25.332 -22.554 1.00 31.34 H new ATOM 0 HG21 ILE A 46 5.024 24.079 -22.515 1.00 5.42 H new ATOM 0 HG22 ILE A 46 6.537 25.008 -22.621 1.00 5.42 H new ATOM 0 HG23 ILE A 46 5.615 24.981 -21.100 1.00 5.42 H new ATOM 0 HD11 ILE A 46 2.219 25.993 -20.270 1.00 4.35 H new ATOM 0 HD12 ILE A 46 3.751 25.089 -20.291 1.00 4.35 H new ATOM 0 HD13 ILE A 46 3.766 26.860 -20.117 1.00 4.35 H new ATOM 704 N TYR A 47 6.996 28.195 -23.931 1.00 15.34 N ATOM 705 CA TYR A 47 8.282 28.304 -24.609 1.00 75.42 C ATOM 706 C TYR A 47 9.364 28.791 -23.651 1.00 11.11 C ATOM 707 O TYR A 47 10.449 28.216 -23.579 1.00 62.25 O ATOM 708 CB TYR A 47 8.174 29.255 -25.802 1.00 1.42 C ATOM 709 CG TYR A 47 9.499 29.536 -26.474 1.00 2.44 C ATOM 710 CD1 TYR A 47 9.968 28.722 -27.497 1.00 31.51 C ATOM 711 CD2 TYR A 47 10.283 30.616 -26.085 1.00 31.43 C ATOM 712 CE1 TYR A 47 11.178 28.974 -28.113 1.00 63.33 C ATOM 713 CE2 TYR A 47 11.494 30.876 -26.696 1.00 53.34 C ATOM 714 CZ TYR A 47 11.937 30.052 -27.710 1.00 2.51 C ATOM 715 OH TYR A 47 13.143 30.308 -28.321 1.00 25.03 O ATOM 0 H TYR A 47 6.227 28.667 -24.407 1.00 15.34 H new ATOM 0 HA TYR A 47 8.560 27.313 -24.967 1.00 75.42 H new ATOM 0 HB2 TYR A 47 7.488 28.829 -26.534 1.00 1.42 H new ATOM 0 HB3 TYR A 47 7.739 30.197 -25.467 1.00 1.42 H new ATOM 0 HD1 TYR A 47 9.376 27.877 -27.816 1.00 31.51 H new ATOM 0 HD2 TYR A 47 9.939 31.263 -25.291 1.00 31.43 H new ATOM 0 HE1 TYR A 47 11.528 28.330 -28.906 1.00 63.33 H new ATOM 0 HE2 TYR A 47 12.091 31.720 -26.382 1.00 53.34 H new ATOM 0 HH TYR A 47 13.551 31.104 -27.920 1.00 25.03 H new ATOM 725 N GLU A 48 9.058 29.856 -22.916 1.00 23.23 N ATOM 726 CA GLU A 48 10.005 30.421 -21.961 1.00 52.44 C ATOM 727 C GLU A 48 10.154 29.517 -20.742 1.00 20.52 C ATOM 728 O GLU A 48 11.231 29.423 -20.152 1.00 2.44 O ATOM 729 CB GLU A 48 9.550 31.815 -21.524 1.00 1.25 C ATOM 730 CG GLU A 48 10.126 32.937 -22.371 1.00 1.44 C ATOM 731 CD GLU A 48 11.285 33.643 -21.694 1.00 24.11 C ATOM 732 OE1 GLU A 48 11.213 33.862 -20.467 1.00 13.02 O ATOM 733 OE2 GLU A 48 12.266 33.976 -22.393 1.00 32.35 O ATOM 0 H GLU A 48 8.164 30.344 -22.963 1.00 23.23 H new ATOM 0 HA GLU A 48 10.975 30.500 -22.453 1.00 52.44 H new ATOM 0 HB2 GLU A 48 8.462 31.862 -21.565 1.00 1.25 H new ATOM 0 HB3 GLU A 48 9.837 31.972 -20.484 1.00 1.25 H new ATOM 0 HG2 GLU A 48 10.460 32.531 -23.326 1.00 1.44 H new ATOM 0 HG3 GLU A 48 9.342 33.662 -22.590 1.00 1.44 H new ATOM 740 N LEU A 49 9.066 28.852 -20.369 1.00 71.00 N ATOM 741 CA LEU A 49 9.074 27.954 -19.219 1.00 50.31 C ATOM 742 C LEU A 49 10.105 26.845 -19.401 1.00 44.43 C ATOM 743 O LEU A 49 11.036 26.711 -18.605 1.00 53.12 O ATOM 744 CB LEU A 49 7.686 27.346 -19.012 1.00 53.22 C ATOM 745 CG LEU A 49 7.273 27.095 -17.562 1.00 35.34 C ATOM 746 CD1 LEU A 49 8.304 26.229 -16.855 1.00 43.21 C ATOM 747 CD2 LEU A 49 7.085 28.413 -16.824 1.00 74.35 C ATOM 0 H LEU A 49 8.167 28.918 -20.846 1.00 71.00 H new ATOM 0 HA LEU A 49 9.345 28.535 -18.338 1.00 50.31 H new ATOM 0 HB2 LEU A 49 6.950 28.007 -19.469 1.00 53.22 H new ATOM 0 HB3 LEU A 49 7.642 26.399 -19.550 1.00 53.22 H new ATOM 0 HG LEU A 49 6.321 26.563 -17.563 1.00 35.34 H new ATOM 0 HD11 LEU A 49 7.993 26.061 -15.824 1.00 43.21 H new ATOM 0 HD12 LEU A 49 8.389 25.271 -17.369 1.00 43.21 H new ATOM 0 HD13 LEU A 49 9.271 26.733 -16.865 1.00 43.21 H new ATOM 0 HD21 LEU A 49 6.791 28.214 -15.793 1.00 74.35 H new ATOM 0 HD22 LEU A 49 8.021 28.972 -16.833 1.00 74.35 H new ATOM 0 HD23 LEU A 49 6.308 28.998 -17.316 1.00 74.35 H new ATOM 759 N LEU A 50 9.936 26.054 -20.455 1.00 13.21 N ATOM 760 CA LEU A 50 10.853 24.958 -20.744 1.00 24.42 C ATOM 761 C LEU A 50 12.245 25.486 -21.078 1.00 72.50 C ATOM 762 O LEU A 50 13.253 24.865 -20.740 1.00 61.11 O ATOM 763 CB LEU A 50 10.323 24.115 -21.905 1.00 33.10 C ATOM 764 CG LEU A 50 9.821 24.891 -23.123 1.00 52.01 C ATOM 765 CD1 LEU A 50 10.772 24.715 -24.297 1.00 13.31 C ATOM 766 CD2 LEU A 50 8.417 24.442 -23.500 1.00 55.01 C ATOM 0 H LEU A 50 9.172 26.152 -21.124 1.00 13.21 H new ATOM 0 HA LEU A 50 10.925 24.334 -19.853 1.00 24.42 H new ATOM 0 HB2 LEU A 50 11.116 23.441 -22.230 1.00 33.10 H new ATOM 0 HB3 LEU A 50 9.508 23.493 -21.534 1.00 33.10 H new ATOM 0 HG LEU A 50 9.786 25.950 -22.866 1.00 52.01 H new ATOM 0 HD11 LEU A 50 10.399 25.274 -25.155 1.00 13.31 H new ATOM 0 HD12 LEU A 50 11.760 25.086 -24.024 1.00 13.31 H new ATOM 0 HD13 LEU A 50 10.840 23.658 -24.555 1.00 13.31 H new ATOM 0 HD21 LEU A 50 8.076 25.005 -24.369 1.00 55.01 H new ATOM 0 HD22 LEU A 50 8.427 23.378 -23.738 1.00 55.01 H new ATOM 0 HD23 LEU A 50 7.741 24.621 -22.664 1.00 55.01 H new ATOM 778 N TYR A 51 12.292 26.635 -21.741 1.00 52.35 N ATOM 779 CA TYR A 51 13.560 27.247 -22.122 1.00 14.14 C ATOM 780 C TYR A 51 14.335 27.704 -20.890 1.00 22.43 C ATOM 781 O TYR A 51 15.567 27.691 -20.877 1.00 11.32 O ATOM 782 CB TYR A 51 13.317 28.435 -23.054 1.00 63.25 C ATOM 783 CG TYR A 51 14.515 29.347 -23.197 1.00 71.22 C ATOM 784 CD1 TYR A 51 15.766 28.837 -23.524 1.00 13.15 C ATOM 785 CD2 TYR A 51 14.396 30.718 -23.005 1.00 21.40 C ATOM 786 CE1 TYR A 51 16.863 29.666 -23.654 1.00 50.34 C ATOM 787 CE2 TYR A 51 15.487 31.554 -23.135 1.00 44.42 C ATOM 788 CZ TYR A 51 16.719 31.024 -23.460 1.00 14.12 C ATOM 789 OH TYR A 51 17.809 31.854 -23.589 1.00 15.20 O ATOM 0 H TYR A 51 11.467 27.162 -22.026 1.00 52.35 H new ATOM 0 HA TYR A 51 14.153 26.498 -22.646 1.00 14.14 H new ATOM 0 HB2 TYR A 51 13.035 28.062 -24.039 1.00 63.25 H new ATOM 0 HB3 TYR A 51 12.473 29.014 -22.679 1.00 63.25 H new ATOM 0 HD1 TYR A 51 15.882 27.775 -23.679 1.00 13.15 H new ATOM 0 HD2 TYR A 51 13.434 31.137 -22.750 1.00 21.40 H new ATOM 0 HE1 TYR A 51 17.829 29.253 -23.906 1.00 50.34 H new ATOM 0 HE2 TYR A 51 15.377 32.618 -22.983 1.00 44.42 H new ATOM 0 HH TYR A 51 18.524 31.551 -22.991 1.00 15.20 H new ATOM 799 N LEU A 52 13.606 28.106 -19.855 1.00 34.41 N ATOM 800 CA LEU A 52 14.223 28.566 -18.616 1.00 42.01 C ATOM 801 C LEU A 52 14.785 27.393 -17.819 1.00 44.23 C ATOM 802 O LEU A 52 15.977 27.352 -17.512 1.00 4.35 O ATOM 803 CB LEU A 52 13.205 29.331 -17.769 1.00 52.31 C ATOM 804 CG LEU A 52 13.312 30.856 -17.806 1.00 1.15 C ATOM 805 CD1 LEU A 52 13.163 31.368 -19.230 1.00 33.12 C ATOM 806 CD2 LEU A 52 12.266 31.486 -16.898 1.00 12.31 C ATOM 0 H LEU A 52 12.586 28.123 -19.849 1.00 34.41 H new ATOM 0 HA LEU A 52 15.045 29.233 -18.875 1.00 42.01 H new ATOM 0 HB2 LEU A 52 12.204 29.049 -18.097 1.00 52.31 H new ATOM 0 HB3 LEU A 52 13.305 29.005 -16.734 1.00 52.31 H new ATOM 0 HG LEU A 52 14.299 31.141 -17.442 1.00 1.15 H new ATOM 0 HD11 LEU A 52 13.242 32.455 -19.236 1.00 33.12 H new ATOM 0 HD12 LEU A 52 13.950 30.944 -19.853 1.00 33.12 H new ATOM 0 HD13 LEU A 52 12.190 31.073 -19.623 1.00 33.12 H new ATOM 0 HD21 LEU A 52 12.357 32.572 -16.937 1.00 12.31 H new ATOM 0 HD22 LEU A 52 11.271 31.193 -17.232 1.00 12.31 H new ATOM 0 HD23 LEU A 52 12.420 31.145 -15.874 1.00 12.31 H new ATOM 818 N LEU A 53 13.921 26.440 -17.490 1.00 12.02 N ATOM 819 CA LEU A 53 14.331 25.264 -16.731 1.00 21.15 C ATOM 820 C LEU A 53 15.457 24.522 -17.443 1.00 24.42 C ATOM 821 O LEU A 53 16.475 24.190 -16.836 1.00 61.30 O ATOM 822 CB LEU A 53 13.140 24.327 -16.521 1.00 3.04 C ATOM 823 CG LEU A 53 12.269 24.063 -17.749 1.00 42.02 C ATOM 824 CD1 LEU A 53 12.686 22.769 -18.431 1.00 42.22 C ATOM 825 CD2 LEU A 53 10.799 24.013 -17.360 1.00 30.02 C ATOM 0 H LEU A 53 12.932 26.458 -17.737 1.00 12.02 H new ATOM 0 HA LEU A 53 14.698 25.598 -15.760 1.00 21.15 H new ATOM 0 HB2 LEU A 53 13.515 23.372 -16.154 1.00 3.04 H new ATOM 0 HB3 LEU A 53 12.509 24.744 -15.736 1.00 3.04 H new ATOM 0 HG LEU A 53 12.410 24.883 -18.453 1.00 42.02 H new ATOM 0 HD11 LEU A 53 12.055 22.598 -19.303 1.00 42.22 H new ATOM 0 HD12 LEU A 53 13.727 22.843 -18.745 1.00 42.22 H new ATOM 0 HD13 LEU A 53 12.575 21.938 -17.734 1.00 42.22 H new ATOM 0 HD21 LEU A 53 10.194 23.824 -18.247 1.00 30.02 H new ATOM 0 HD22 LEU A 53 10.641 23.213 -16.636 1.00 30.02 H new ATOM 0 HD23 LEU A 53 10.507 24.966 -16.918 1.00 30.02 H new ATOM 837 N GLU A 54 15.268 24.267 -18.734 1.00 33.34 N ATOM 838 CA GLU A 54 16.269 23.565 -19.528 1.00 71.02 C ATOM 839 C GLU A 54 17.617 24.276 -19.455 1.00 63.31 C ATOM 840 O GLU A 54 18.669 23.644 -19.553 1.00 12.13 O ATOM 841 CB GLU A 54 15.814 23.460 -20.985 1.00 72.42 C ATOM 842 CG GLU A 54 16.030 24.734 -21.784 1.00 61.11 C ATOM 843 CD GLU A 54 15.804 24.536 -23.270 1.00 41.24 C ATOM 844 OE1 GLU A 54 14.633 24.573 -23.703 1.00 45.32 O ATOM 845 OE2 GLU A 54 16.799 24.344 -24.001 1.00 10.43 O ATOM 0 H GLU A 54 14.431 24.536 -19.252 1.00 33.34 H new ATOM 0 HA GLU A 54 16.384 22.562 -19.117 1.00 71.02 H new ATOM 0 HB2 GLU A 54 16.352 22.644 -21.467 1.00 72.42 H new ATOM 0 HB3 GLU A 54 14.755 23.202 -21.008 1.00 72.42 H new ATOM 0 HG2 GLU A 54 15.355 25.507 -21.417 1.00 61.11 H new ATOM 0 HG3 GLU A 54 17.046 25.094 -21.620 1.00 61.11 H new ATOM 852 N GLU A 55 17.577 25.593 -19.283 1.00 53.34 N ATOM 853 CA GLU A 55 18.795 26.390 -19.199 1.00 21.11 C ATOM 854 C GLU A 55 19.495 26.173 -17.860 1.00 51.42 C ATOM 855 O GLU A 55 20.694 26.415 -17.728 1.00 43.25 O ATOM 856 CB GLU A 55 18.474 27.874 -19.385 1.00 4.40 C ATOM 857 CG GLU A 55 19.707 28.760 -19.454 1.00 65.51 C ATOM 858 CD GLU A 55 19.460 30.045 -20.219 1.00 5.31 C ATOM 859 OE1 GLU A 55 19.128 29.966 -21.420 1.00 70.32 O ATOM 860 OE2 GLU A 55 19.600 31.130 -19.617 1.00 53.51 O ATOM 0 H GLU A 55 16.714 26.131 -19.199 1.00 53.34 H new ATOM 0 HA GLU A 55 19.465 26.069 -19.996 1.00 21.11 H new ATOM 0 HB2 GLU A 55 17.895 28.000 -20.300 1.00 4.40 H new ATOM 0 HB3 GLU A 55 17.844 28.207 -18.560 1.00 4.40 H new ATOM 0 HG2 GLU A 55 20.034 29.001 -18.442 1.00 65.51 H new ATOM 0 HG3 GLU A 55 20.519 28.209 -19.929 1.00 65.51 H new ATOM 867 N ALA A 56 18.736 25.717 -16.869 1.00 72.35 N ATOM 868 CA ALA A 56 19.282 25.466 -15.542 1.00 2.14 C ATOM 869 C ALA A 56 19.884 24.068 -15.450 1.00 73.23 C ATOM 870 O ALA A 56 20.705 23.790 -14.576 1.00 14.12 O ATOM 871 CB ALA A 56 18.204 25.649 -14.484 1.00 73.10 C ATOM 0 H ALA A 56 17.741 25.514 -16.961 1.00 72.35 H new ATOM 0 HA ALA A 56 20.079 26.188 -15.362 1.00 2.14 H new ATOM 0 HB1 ALA A 56 18.626 25.458 -13.497 1.00 73.10 H new ATOM 0 HB2 ALA A 56 17.824 26.670 -14.525 1.00 73.10 H new ATOM 0 HB3 ALA A 56 17.388 24.950 -14.671 1.00 73.10 H new ATOM 877 N PHE A 57 19.470 23.190 -16.358 1.00 55.22 N ATOM 878 CA PHE A 57 19.967 21.819 -16.379 1.00 15.41 C ATOM 879 C PHE A 57 21.013 21.637 -17.474 1.00 24.11 C ATOM 880 O PHE A 57 21.493 20.528 -17.710 1.00 5.00 O ATOM 881 CB PHE A 57 18.812 20.839 -16.593 1.00 74.12 C ATOM 882 CG PHE A 57 17.574 21.192 -15.819 1.00 21.23 C ATOM 883 CD1 PHE A 57 17.660 21.596 -14.496 1.00 23.40 C ATOM 884 CD2 PHE A 57 16.325 21.120 -16.413 1.00 53.43 C ATOM 885 CE1 PHE A 57 16.523 21.920 -13.781 1.00 10.01 C ATOM 886 CE2 PHE A 57 15.184 21.444 -15.703 1.00 52.13 C ATOM 887 CZ PHE A 57 15.283 21.845 -14.386 1.00 3.44 C ATOM 0 H PHE A 57 18.791 23.404 -17.089 1.00 55.22 H new ATOM 0 HA PHE A 57 20.435 21.613 -15.416 1.00 15.41 H new ATOM 0 HB2 PHE A 57 18.569 20.803 -17.655 1.00 74.12 H new ATOM 0 HB3 PHE A 57 19.137 19.839 -16.306 1.00 74.12 H new ATOM 0 HD1 PHE A 57 18.627 21.658 -14.019 1.00 23.40 H new ATOM 0 HD2 PHE A 57 16.241 20.807 -17.443 1.00 53.43 H new ATOM 0 HE1 PHE A 57 16.603 22.232 -12.750 1.00 10.01 H new ATOM 0 HE2 PHE A 57 14.216 21.383 -16.178 1.00 52.13 H new ATOM 0 HZ PHE A 57 14.393 22.100 -13.830 1.00 3.44 H new ATOM 897 N ASP A 58 21.362 22.733 -18.139 1.00 73.53 N ATOM 898 CA ASP A 58 22.352 22.695 -19.209 1.00 72.14 C ATOM 899 C ASP A 58 22.021 21.599 -20.218 1.00 14.31 C ATOM 900 O ASP A 58 22.787 20.652 -20.395 1.00 43.50 O ATOM 901 CB ASP A 58 23.750 22.468 -18.632 1.00 12.01 C ATOM 902 CG ASP A 58 24.283 23.689 -17.909 1.00 50.53 C ATOM 903 OD1 ASP A 58 24.866 24.568 -18.579 1.00 51.10 O ATOM 904 OD2 ASP A 58 24.117 23.767 -16.674 1.00 53.33 O ATOM 0 H ASP A 58 20.974 23.658 -17.956 1.00 73.53 H new ATOM 0 HA ASP A 58 22.331 23.656 -19.723 1.00 72.14 H new ATOM 0 HB2 ASP A 58 23.723 21.624 -17.943 1.00 12.01 H new ATOM 0 HB3 ASP A 58 24.433 22.199 -19.438 1.00 12.01 H new ATOM 909 N ASP A 59 20.874 21.734 -20.875 1.00 41.51 N ATOM 910 CA ASP A 59 20.441 20.756 -21.866 1.00 51.21 C ATOM 911 C ASP A 59 19.317 21.319 -22.730 1.00 15.11 C ATOM 912 O ASP A 59 18.337 21.860 -22.217 1.00 54.35 O ATOM 913 CB ASP A 59 19.977 19.472 -21.177 1.00 64.32 C ATOM 914 CG ASP A 59 21.036 18.387 -21.202 1.00 4.13 C ATOM 915 OD1 ASP A 59 21.694 18.223 -22.251 1.00 32.20 O ATOM 916 OD2 ASP A 59 21.208 17.703 -20.171 1.00 45.23 O ATOM 0 H ASP A 59 20.228 22.511 -20.739 1.00 41.51 H new ATOM 0 HA ASP A 59 21.290 20.527 -22.510 1.00 51.21 H new ATOM 0 HB2 ASP A 59 19.712 19.693 -20.143 1.00 64.32 H new ATOM 0 HB3 ASP A 59 19.074 19.106 -21.666 1.00 64.32 H new ATOM 921 N LYS A 60 19.465 21.189 -24.044 1.00 20.22 N ATOM 922 CA LYS A 60 18.463 21.684 -24.980 1.00 70.43 C ATOM 923 C LYS A 60 17.187 20.851 -24.902 1.00 42.13 C ATOM 924 O LYS A 60 17.239 19.621 -24.869 1.00 51.31 O ATOM 925 CB LYS A 60 19.014 21.660 -26.408 1.00 74.10 C ATOM 926 CG LYS A 60 19.769 22.921 -26.790 1.00 2.05 C ATOM 927 CD LYS A 60 18.843 23.966 -27.390 1.00 65.53 C ATOM 928 CE LYS A 60 18.536 23.665 -28.849 1.00 72.41 C ATOM 929 NZ LYS A 60 17.827 24.795 -29.511 1.00 60.30 N ATOM 0 H LYS A 60 20.270 20.744 -24.485 1.00 20.22 H new ATOM 0 HA LYS A 60 18.222 22.711 -24.707 1.00 70.43 H new ATOM 0 HB2 LYS A 60 19.677 20.802 -26.518 1.00 74.10 H new ATOM 0 HB3 LYS A 60 18.188 21.516 -27.105 1.00 74.10 H new ATOM 0 HG2 LYS A 60 20.261 23.333 -25.909 1.00 2.05 H new ATOM 0 HG3 LYS A 60 20.553 22.674 -27.506 1.00 2.05 H new ATOM 0 HD2 LYS A 60 17.914 24.000 -26.821 1.00 65.53 H new ATOM 0 HD3 LYS A 60 19.303 24.951 -27.309 1.00 65.53 H new ATOM 0 HE2 LYS A 60 19.465 23.458 -29.380 1.00 72.41 H new ATOM 0 HE3 LYS A 60 17.925 22.765 -28.913 1.00 72.41 H new ATOM 0 HZ1 LYS A 60 17.636 24.551 -30.504 1.00 60.30 H new ATOM 0 HZ2 LYS A 60 16.928 24.977 -29.020 1.00 60.30 H new ATOM 0 HZ3 LYS A 60 18.421 25.648 -29.472 1.00 60.30 H new ATOM 943 N ILE A 61 16.045 21.529 -24.875 1.00 33.11 N ATOM 944 CA ILE A 61 14.756 20.851 -24.804 1.00 24.23 C ATOM 945 C ILE A 61 14.470 20.079 -26.087 1.00 54.13 C ATOM 946 O ILE A 61 14.250 18.868 -26.077 1.00 24.41 O ATOM 947 CB ILE A 61 13.609 21.847 -24.550 1.00 24.44 C ATOM 948 CG1 ILE A 61 13.424 22.072 -23.048 1.00 1.34 C ATOM 949 CG2 ILE A 61 12.320 21.340 -25.178 1.00 15.33 C ATOM 950 CD1 ILE A 61 12.562 21.023 -22.381 1.00 3.23 C ATOM 0 H ILE A 61 15.986 22.547 -24.901 1.00 33.11 H new ATOM 0 HA ILE A 61 14.812 20.154 -23.968 1.00 24.23 H new ATOM 0 HB ILE A 61 13.865 22.800 -25.012 1.00 24.44 H new ATOM 0 HG12 ILE A 61 14.402 22.086 -22.568 1.00 1.34 H new ATOM 0 HG13 ILE A 61 12.977 23.053 -22.888 1.00 1.34 H new ATOM 0 HG21 ILE A 61 11.518 22.054 -24.990 1.00 15.33 H new ATOM 0 HG22 ILE A 61 12.460 21.225 -26.253 1.00 15.33 H new ATOM 0 HG23 ILE A 61 12.057 20.376 -24.741 1.00 15.33 H new ATOM 0 HD11 ILE A 61 12.475 21.246 -21.318 1.00 3.23 H new ATOM 0 HD12 ILE A 61 11.571 21.024 -22.835 1.00 3.23 H new ATOM 0 HD13 ILE A 61 13.019 20.042 -22.509 1.00 3.23 H new ATOM 962 N PRO A 62 14.472 20.795 -27.221 1.00 45.34 N ATOM 963 CA PRO A 62 14.217 20.198 -28.535 1.00 73.04 C ATOM 964 C PRO A 62 15.354 19.290 -28.991 1.00 31.23 C ATOM 965 O PRO A 62 15.282 18.678 -30.056 1.00 24.34 O ATOM 966 CB PRO A 62 14.099 21.412 -29.460 1.00 42.21 C ATOM 967 CG PRO A 62 14.887 22.481 -28.784 1.00 61.33 C ATOM 968 CD PRO A 62 14.726 22.243 -27.308 1.00 41.23 C ATOM 0 HA PRO A 62 13.332 19.562 -28.528 1.00 73.04 H new ATOM 0 HB2 PRO A 62 14.496 21.194 -30.452 1.00 42.21 H new ATOM 0 HB3 PRO A 62 13.059 21.710 -29.592 1.00 42.21 H new ATOM 0 HG2 PRO A 62 15.937 22.435 -29.075 1.00 61.33 H new ATOM 0 HG3 PRO A 62 14.522 23.470 -29.062 1.00 61.33 H new ATOM 0 HD2 PRO A 62 15.621 22.528 -26.755 1.00 41.23 H new ATOM 0 HD3 PRO A 62 13.899 22.821 -26.896 1.00 41.23 H new ATOM 976 N GLU A 63 16.402 19.208 -28.177 1.00 34.55 N ATOM 977 CA GLU A 63 17.554 18.374 -28.497 1.00 71.45 C ATOM 978 C GLU A 63 17.600 17.141 -27.599 1.00 64.24 C ATOM 979 O GLU A 63 17.457 16.013 -28.068 1.00 74.43 O ATOM 980 CB GLU A 63 18.849 19.175 -28.349 1.00 52.22 C ATOM 981 CG GLU A 63 19.952 18.729 -29.293 1.00 45.04 C ATOM 982 CD GLU A 63 19.785 19.289 -30.693 1.00 1.15 C ATOM 983 OE1 GLU A 63 20.162 20.460 -30.911 1.00 74.43 O ATOM 984 OE2 GLU A 63 19.278 18.558 -31.568 1.00 73.32 O ATOM 0 H GLU A 63 16.477 19.709 -27.292 1.00 34.55 H new ATOM 0 HA GLU A 63 17.455 18.045 -29.531 1.00 71.45 H new ATOM 0 HB2 GLU A 63 18.636 20.229 -28.525 1.00 52.22 H new ATOM 0 HB3 GLU A 63 19.204 19.089 -27.322 1.00 52.22 H new ATOM 0 HG2 GLU A 63 20.916 19.043 -28.893 1.00 45.04 H new ATOM 0 HG3 GLU A 63 19.966 17.640 -29.341 1.00 45.04 H new ATOM 991 N ASN A 64 17.803 17.366 -26.305 1.00 71.03 N ATOM 992 CA ASN A 64 17.870 16.274 -25.341 1.00 12.13 C ATOM 993 C ASN A 64 16.474 15.759 -25.004 1.00 55.42 C ATOM 994 O ASN A 64 16.157 14.595 -25.244 1.00 32.22 O ATOM 995 CB ASN A 64 18.577 16.736 -24.065 1.00 34.33 C ATOM 996 CG ASN A 64 18.944 15.578 -23.156 1.00 42.24 C ATOM 997 OD1 ASN A 64 19.951 14.903 -23.369 1.00 44.14 O ATOM 998 ND2 ASN A 64 18.126 15.344 -22.137 1.00 24.32 N ATOM 0 H ASN A 64 17.924 18.294 -25.900 1.00 71.03 H new ATOM 0 HA ASN A 64 18.439 15.460 -25.790 1.00 12.13 H new ATOM 0 HB2 ASN A 64 19.480 17.285 -24.332 1.00 34.33 H new ATOM 0 HB3 ASN A 64 17.931 17.428 -23.525 1.00 34.33 H new ATOM 0 HD21 ASN A 64 18.321 14.578 -21.492 1.00 24.32 H new ATOM 0 HD22 ASN A 64 17.302 15.930 -21.999 1.00 24.32 H new ATOM 1005 N GLU A 65 15.643 16.636 -24.448 1.00 45.31 N ATOM 1006 CA GLU A 65 14.281 16.270 -24.079 1.00 23.33 C ATOM 1007 C GLU A 65 13.513 15.742 -25.287 1.00 63.11 C ATOM 1008 O GLU A 65 12.554 14.985 -25.144 1.00 14.14 O ATOM 1009 CB GLU A 65 13.550 17.474 -23.482 1.00 34.43 C ATOM 1010 CG GLU A 65 13.646 17.555 -21.967 1.00 75.44 C ATOM 1011 CD GLU A 65 15.055 17.324 -21.459 1.00 64.20 C ATOM 1012 OE1 GLU A 65 15.980 18.009 -21.944 1.00 52.41 O ATOM 1013 OE2 GLU A 65 15.234 16.458 -20.577 1.00 44.40 O ATOM 0 H GLU A 65 15.890 17.604 -24.244 1.00 45.31 H new ATOM 0 HA GLU A 65 14.335 15.479 -23.331 1.00 23.33 H new ATOM 0 HB2 GLU A 65 13.960 18.387 -23.913 1.00 34.43 H new ATOM 0 HB3 GLU A 65 12.499 17.430 -23.769 1.00 34.43 H new ATOM 0 HG2 GLU A 65 13.301 18.535 -21.637 1.00 75.44 H new ATOM 0 HG3 GLU A 65 12.978 16.816 -21.524 1.00 75.44 H new ATOM 1020 N ALA A 66 13.943 16.148 -26.477 1.00 62.34 N ATOM 1021 CA ALA A 66 13.298 15.715 -27.711 1.00 11.32 C ATOM 1022 C ALA A 66 13.396 14.203 -27.881 1.00 5.11 C ATOM 1023 O ALA A 66 12.694 13.614 -28.701 1.00 55.41 O ATOM 1024 CB ALA A 66 13.916 16.424 -28.907 1.00 3.34 C ATOM 0 H ALA A 66 14.735 16.776 -26.613 1.00 62.34 H new ATOM 0 HA ALA A 66 12.242 15.980 -27.652 1.00 11.32 H new ATOM 0 HB1 ALA A 66 13.425 16.091 -29.821 1.00 3.34 H new ATOM 0 HB2 ALA A 66 13.788 17.501 -28.798 1.00 3.34 H new ATOM 0 HB3 ALA A 66 14.979 16.189 -28.960 1.00 3.34 H new ATOM 1030 N ASN A 67 14.274 13.580 -27.101 1.00 1.42 N ATOM 1031 CA ASN A 67 14.465 12.136 -27.167 1.00 3.14 C ATOM 1032 C ASN A 67 13.141 11.403 -26.974 1.00 63.34 C ATOM 1033 O ASN A 67 12.937 10.319 -27.519 1.00 73.34 O ATOM 1034 CB ASN A 67 15.470 11.685 -26.105 1.00 30.24 C ATOM 1035 CG ASN A 67 16.854 11.453 -26.679 1.00 41.54 C ATOM 1036 OD1 ASN A 67 17.852 11.921 -26.131 1.00 23.10 O ATOM 1037 ND2 ASN A 67 16.920 10.729 -27.790 1.00 73.04 N ATOM 0 H ASN A 67 14.864 14.053 -26.416 1.00 1.42 H new ATOM 0 HA ASN A 67 14.855 11.891 -28.155 1.00 3.14 H new ATOM 0 HB2 ASN A 67 15.527 12.439 -25.320 1.00 30.24 H new ATOM 0 HB3 ASN A 67 15.114 10.766 -25.639 1.00 30.24 H new ATOM 0 HD21 ASN A 67 17.824 10.541 -28.223 1.00 73.04 H new ATOM 0 HD22 ASN A 67 16.067 10.361 -28.210 1.00 73.04 H new ATOM 1044 N GLU A 68 12.246 12.003 -26.196 1.00 40.03 N ATOM 1045 CA GLU A 68 10.942 11.406 -25.932 1.00 50.35 C ATOM 1046 C GLU A 68 9.937 12.467 -25.493 1.00 51.33 C ATOM 1047 O GLU A 68 9.153 12.251 -24.569 1.00 71.01 O ATOM 1048 CB GLU A 68 11.060 10.324 -24.858 1.00 32.25 C ATOM 1049 CG GLU A 68 10.118 9.150 -25.070 1.00 3.22 C ATOM 1050 CD GLU A 68 10.494 8.312 -26.276 1.00 71.40 C ATOM 1051 OE1 GLU A 68 11.492 7.566 -26.192 1.00 22.14 O ATOM 1052 OE2 GLU A 68 9.791 8.401 -27.304 1.00 14.12 O ATOM 0 H GLU A 68 12.400 12.901 -25.738 1.00 40.03 H new ATOM 0 HA GLU A 68 10.585 10.952 -26.856 1.00 50.35 H new ATOM 0 HB2 GLU A 68 12.086 9.956 -24.836 1.00 32.25 H new ATOM 0 HB3 GLU A 68 10.860 10.768 -23.883 1.00 32.25 H new ATOM 0 HG2 GLU A 68 10.121 8.521 -24.180 1.00 3.22 H new ATOM 0 HG3 GLU A 68 9.101 9.522 -25.194 1.00 3.22 H new ATOM 1059 N PHE A 69 9.967 13.615 -26.162 1.00 51.14 N ATOM 1060 CA PHE A 69 9.060 14.711 -25.841 1.00 43.21 C ATOM 1061 C PHE A 69 7.828 14.679 -26.740 1.00 50.14 C ATOM 1062 O PHE A 69 7.896 14.242 -27.888 1.00 65.25 O ATOM 1063 CB PHE A 69 9.778 16.054 -25.988 1.00 50.51 C ATOM 1064 CG PHE A 69 9.755 16.886 -24.738 1.00 11.42 C ATOM 1065 CD1 PHE A 69 9.973 16.305 -23.499 1.00 52.41 C ATOM 1066 CD2 PHE A 69 9.515 18.250 -24.801 1.00 72.43 C ATOM 1067 CE1 PHE A 69 9.953 17.068 -22.347 1.00 14.15 C ATOM 1068 CE2 PHE A 69 9.494 19.017 -23.652 1.00 51.43 C ATOM 1069 CZ PHE A 69 9.712 18.426 -22.423 1.00 72.24 C ATOM 0 H PHE A 69 10.610 13.810 -26.930 1.00 51.14 H new ATOM 0 HA PHE A 69 8.736 14.591 -24.807 1.00 43.21 H new ATOM 0 HB2 PHE A 69 10.814 15.874 -26.276 1.00 50.51 H new ATOM 0 HB3 PHE A 69 9.316 16.617 -26.798 1.00 50.51 H new ATOM 0 HD1 PHE A 69 10.161 15.243 -23.433 1.00 52.41 H new ATOM 0 HD2 PHE A 69 9.343 18.718 -25.759 1.00 72.43 H new ATOM 0 HE1 PHE A 69 10.126 16.603 -21.388 1.00 14.15 H new ATOM 0 HE2 PHE A 69 9.307 20.079 -23.715 1.00 51.43 H new ATOM 0 HZ PHE A 69 9.694 19.024 -21.524 1.00 72.24 H new ATOM 1079 N GLU A 70 6.702 15.145 -26.208 1.00 42.15 N ATOM 1080 CA GLU A 70 5.454 15.168 -26.962 1.00 43.34 C ATOM 1081 C GLU A 70 4.418 16.050 -26.272 1.00 12.11 C ATOM 1082 O GLU A 70 3.823 16.932 -26.892 1.00 73.15 O ATOM 1083 CB GLU A 70 4.905 13.750 -27.126 1.00 61.43 C ATOM 1084 CG GLU A 70 3.655 13.676 -27.987 1.00 42.40 C ATOM 1085 CD GLU A 70 3.971 13.584 -29.467 1.00 72.13 C ATOM 1086 OE1 GLU A 70 5.168 13.611 -29.821 1.00 4.33 O ATOM 1087 OE2 GLU A 70 3.021 13.484 -30.272 1.00 2.31 O ATOM 0 H GLU A 70 6.629 15.511 -25.259 1.00 42.15 H new ATOM 0 HA GLU A 70 5.662 15.585 -27.947 1.00 43.34 H new ATOM 0 HB2 GLU A 70 5.677 13.119 -27.567 1.00 61.43 H new ATOM 0 HB3 GLU A 70 4.682 13.340 -26.141 1.00 61.43 H new ATOM 0 HG2 GLU A 70 3.065 12.809 -27.691 1.00 42.40 H new ATOM 0 HG3 GLU A 70 3.040 14.557 -27.805 1.00 42.40 H new ATOM 1094 N THR A 71 4.206 15.805 -24.982 1.00 51.54 N ATOM 1095 CA THR A 71 3.241 16.575 -24.207 1.00 70.40 C ATOM 1096 C THR A 71 3.707 16.748 -22.766 1.00 13.00 C ATOM 1097 O THR A 71 4.793 16.301 -22.396 1.00 15.22 O ATOM 1098 CB THR A 71 1.855 15.902 -24.209 1.00 50.53 C ATOM 1099 OG1 THR A 71 1.970 14.541 -23.780 1.00 50.21 O ATOM 1100 CG2 THR A 71 1.232 15.951 -25.596 1.00 42.33 C ATOM 0 H THR A 71 4.690 15.080 -24.453 1.00 51.54 H new ATOM 0 HA THR A 71 3.163 17.553 -24.681 1.00 70.40 H new ATOM 0 HB THR A 71 1.210 16.446 -23.519 1.00 50.53 H new ATOM 0 HG1 THR A 71 1.564 14.442 -22.894 1.00 50.21 H new ATOM 0 HG21 THR A 71 0.254 15.470 -25.573 1.00 42.33 H new ATOM 0 HG22 THR A 71 1.118 16.989 -25.907 1.00 42.33 H new ATOM 0 HG23 THR A 71 1.877 15.429 -26.303 1.00 42.33 H new ATOM 1108 N VAL A 72 2.878 17.399 -21.955 1.00 44.24 N ATOM 1109 CA VAL A 72 3.205 17.630 -20.553 1.00 70.03 C ATOM 1110 C VAL A 72 3.590 16.329 -19.857 1.00 52.34 C ATOM 1111 O VAL A 72 4.541 16.288 -19.079 1.00 22.45 O ATOM 1112 CB VAL A 72 2.025 18.272 -19.801 1.00 13.44 C ATOM 1113 CG1 VAL A 72 2.436 18.652 -18.386 1.00 62.32 C ATOM 1114 CG2 VAL A 72 1.508 19.486 -20.558 1.00 13.21 C ATOM 0 H VAL A 72 1.975 17.775 -22.245 1.00 44.24 H new ATOM 0 HA VAL A 72 4.054 18.314 -20.534 1.00 70.03 H new ATOM 0 HB VAL A 72 1.218 17.542 -19.736 1.00 13.44 H new ATOM 0 HG11 VAL A 72 1.589 19.104 -17.870 1.00 62.32 H new ATOM 0 HG12 VAL A 72 2.754 17.759 -17.847 1.00 62.32 H new ATOM 0 HG13 VAL A 72 3.260 19.365 -18.425 1.00 62.32 H new ATOM 0 HG21 VAL A 72 0.674 19.927 -20.012 1.00 13.21 H new ATOM 0 HG22 VAL A 72 2.307 20.221 -20.656 1.00 13.21 H new ATOM 0 HG23 VAL A 72 1.172 19.181 -21.549 1.00 13.21 H new ATOM 1124 N GLY A 73 2.843 15.267 -20.145 1.00 1.24 N ATOM 1125 CA GLY A 73 3.122 13.979 -19.538 1.00 72.53 C ATOM 1126 C GLY A 73 4.572 13.566 -19.694 1.00 61.01 C ATOM 1127 O GLY A 73 5.151 12.955 -18.795 1.00 52.24 O ATOM 0 H GLY A 73 2.051 15.276 -20.787 1.00 1.24 H new ATOM 0 HA2 GLY A 73 2.871 14.018 -18.478 1.00 72.53 H new ATOM 0 HA3 GLY A 73 2.481 13.222 -19.990 1.00 72.53 H new ATOM 1131 N ASP A 74 5.160 13.898 -20.838 1.00 3.52 N ATOM 1132 CA ASP A 74 6.552 13.558 -21.109 1.00 41.10 C ATOM 1133 C ASP A 74 7.492 14.356 -20.210 1.00 73.12 C ATOM 1134 O ASP A 74 8.564 13.880 -19.836 1.00 74.55 O ATOM 1135 CB ASP A 74 6.887 13.820 -22.578 1.00 53.42 C ATOM 1136 CG ASP A 74 6.119 12.912 -23.518 1.00 72.30 C ATOM 1137 OD1 ASP A 74 5.051 12.405 -23.114 1.00 1.33 O ATOM 1138 OD2 ASP A 74 6.585 12.708 -24.658 1.00 62.31 O ATOM 0 H ASP A 74 4.694 14.402 -21.593 1.00 3.52 H new ATOM 0 HA ASP A 74 6.689 12.498 -20.897 1.00 41.10 H new ATOM 0 HB2 ASP A 74 6.664 14.859 -22.819 1.00 53.42 H new ATOM 0 HB3 ASP A 74 7.956 13.679 -22.734 1.00 53.42 H new ATOM 1143 N VAL A 75 7.083 15.573 -19.867 1.00 52.45 N ATOM 1144 CA VAL A 75 7.888 16.438 -19.013 1.00 33.23 C ATOM 1145 C VAL A 75 7.749 16.044 -17.546 1.00 55.34 C ATOM 1146 O VAL A 75 8.733 15.998 -16.809 1.00 11.24 O ATOM 1147 CB VAL A 75 7.489 17.917 -19.176 1.00 25.31 C ATOM 1148 CG1 VAL A 75 8.622 18.827 -18.727 1.00 11.52 C ATOM 1149 CG2 VAL A 75 7.100 18.207 -20.618 1.00 5.24 C ATOM 0 H VAL A 75 6.198 15.982 -20.168 1.00 52.45 H new ATOM 0 HA VAL A 75 8.925 16.313 -19.324 1.00 33.23 H new ATOM 0 HB VAL A 75 6.624 18.115 -18.544 1.00 25.31 H new ATOM 0 HG11 VAL A 75 8.323 19.868 -18.849 1.00 11.52 H new ATOM 0 HG12 VAL A 75 8.849 18.635 -17.678 1.00 11.52 H new ATOM 0 HG13 VAL A 75 9.508 18.631 -19.331 1.00 11.52 H new ATOM 0 HG21 VAL A 75 6.821 19.256 -20.716 1.00 5.24 H new ATOM 0 HG22 VAL A 75 7.945 17.994 -21.273 1.00 5.24 H new ATOM 0 HG23 VAL A 75 6.255 17.579 -20.900 1.00 5.24 H new ATOM 1159 N VAL A 76 6.519 15.760 -17.130 1.00 14.43 N ATOM 1160 CA VAL A 76 6.250 15.369 -15.751 1.00 73.32 C ATOM 1161 C VAL A 76 7.138 14.205 -15.327 1.00 64.34 C ATOM 1162 O VAL A 76 7.789 14.255 -14.284 1.00 74.13 O ATOM 1163 CB VAL A 76 4.774 14.971 -15.558 1.00 64.44 C ATOM 1164 CG1 VAL A 76 4.518 14.552 -14.119 1.00 31.03 C ATOM 1165 CG2 VAL A 76 3.857 16.115 -15.961 1.00 1.41 C ATOM 0 H VAL A 76 5.693 15.793 -17.728 1.00 14.43 H new ATOM 0 HA VAL A 76 6.469 16.236 -15.128 1.00 73.32 H new ATOM 0 HB VAL A 76 4.558 14.119 -16.203 1.00 64.44 H new ATOM 0 HG11 VAL A 76 3.470 14.274 -14.002 1.00 31.03 H new ATOM 0 HG12 VAL A 76 5.149 13.699 -13.871 1.00 31.03 H new ATOM 0 HG13 VAL A 76 4.750 15.382 -13.452 1.00 31.03 H new ATOM 0 HG21 VAL A 76 2.818 15.816 -15.818 1.00 1.41 H new ATOM 0 HG22 VAL A 76 4.072 16.988 -15.344 1.00 1.41 H new ATOM 0 HG23 VAL A 76 4.023 16.362 -17.010 1.00 1.41 H new ATOM 1175 N ASN A 77 7.161 13.157 -16.145 1.00 24.24 N ATOM 1176 CA ASN A 77 7.971 11.979 -15.854 1.00 72.24 C ATOM 1177 C ASN A 77 9.453 12.272 -16.066 1.00 60.42 C ATOM 1178 O ASN A 77 10.317 11.591 -15.513 1.00 73.50 O ATOM 1179 CB ASN A 77 7.539 10.807 -16.739 1.00 3.40 C ATOM 1180 CG ASN A 77 8.318 10.747 -18.039 1.00 54.31 C ATOM 1181 OD1 ASN A 77 9.467 10.308 -18.067 1.00 44.35 O ATOM 1182 ND2 ASN A 77 7.692 11.190 -19.124 1.00 3.02 N ATOM 0 H ASN A 77 6.629 13.100 -17.013 1.00 24.24 H new ATOM 0 HA ASN A 77 7.818 11.712 -14.808 1.00 72.24 H new ATOM 0 HB2 ASN A 77 7.676 9.873 -16.193 1.00 3.40 H new ATOM 0 HB3 ASN A 77 6.475 10.895 -16.960 1.00 3.40 H new ATOM 0 HD21 ASN A 77 8.165 11.175 -20.028 1.00 3.02 H new ATOM 0 HD22 ASN A 77 6.739 11.545 -19.053 1.00 3.02 H new ATOM 1189 N PHE A 78 9.740 13.290 -16.870 1.00 63.24 N ATOM 1190 CA PHE A 78 11.118 13.673 -17.156 1.00 50.21 C ATOM 1191 C PHE A 78 11.767 14.319 -15.935 1.00 61.05 C ATOM 1192 O PHE A 78 12.772 13.828 -15.421 1.00 62.41 O ATOM 1193 CB PHE A 78 11.166 14.637 -18.343 1.00 53.52 C ATOM 1194 CG PHE A 78 11.820 14.055 -19.563 1.00 71.51 C ATOM 1195 CD1 PHE A 78 11.286 12.937 -20.185 1.00 2.24 C ATOM 1196 CD2 PHE A 78 12.969 14.624 -20.088 1.00 20.31 C ATOM 1197 CE1 PHE A 78 11.886 12.398 -21.308 1.00 15.44 C ATOM 1198 CE2 PHE A 78 13.572 14.090 -21.211 1.00 24.32 C ATOM 1199 CZ PHE A 78 13.031 12.975 -21.821 1.00 32.04 C ATOM 0 H PHE A 78 9.037 13.865 -17.335 1.00 63.24 H new ATOM 0 HA PHE A 78 11.675 12.770 -17.407 1.00 50.21 H new ATOM 0 HB2 PHE A 78 10.150 14.941 -18.595 1.00 53.52 H new ATOM 0 HB3 PHE A 78 11.704 15.538 -18.047 1.00 53.52 H new ATOM 0 HD1 PHE A 78 10.391 12.482 -19.788 1.00 2.24 H new ATOM 0 HD2 PHE A 78 13.398 15.495 -19.614 1.00 20.31 H new ATOM 0 HE1 PHE A 78 11.460 11.527 -21.783 1.00 15.44 H new ATOM 0 HE2 PHE A 78 14.466 14.544 -21.612 1.00 24.32 H new ATOM 0 HZ PHE A 78 13.502 12.555 -22.697 1.00 32.04 H new ATOM 1209 N ILE A 79 11.186 15.423 -15.478 1.00 75.31 N ATOM 1210 CA ILE A 79 11.706 16.136 -14.318 1.00 64.43 C ATOM 1211 C ILE A 79 11.600 15.285 -13.057 1.00 45.01 C ATOM 1212 O ILE A 79 12.316 15.510 -12.081 1.00 0.22 O ATOM 1213 CB ILE A 79 10.960 17.464 -14.092 1.00 65.13 C ATOM 1214 CG1 ILE A 79 10.881 18.258 -15.398 1.00 5.13 C ATOM 1215 CG2 ILE A 79 11.650 18.281 -13.010 1.00 32.23 C ATOM 1216 CD1 ILE A 79 10.202 19.601 -15.248 1.00 14.13 C ATOM 0 H ILE A 79 10.355 15.843 -15.894 1.00 75.31 H new ATOM 0 HA ILE A 79 12.755 16.349 -14.523 1.00 64.43 H new ATOM 0 HB ILE A 79 9.945 17.243 -13.761 1.00 65.13 H new ATOM 0 HG12 ILE A 79 11.889 18.411 -15.783 1.00 5.13 H new ATOM 0 HG13 ILE A 79 10.343 17.669 -16.140 1.00 5.13 H new ATOM 0 HG21 ILE A 79 11.111 19.217 -12.861 1.00 32.23 H new ATOM 0 HG22 ILE A 79 11.660 17.716 -12.078 1.00 32.23 H new ATOM 0 HG23 ILE A 79 12.674 18.496 -13.314 1.00 32.23 H new ATOM 0 HD11 ILE A 79 10.182 20.108 -16.213 1.00 14.13 H new ATOM 0 HD12 ILE A 79 9.182 19.455 -14.893 1.00 14.13 H new ATOM 0 HD13 ILE A 79 10.753 20.209 -14.530 1.00 14.13 H new ATOM 1228 N LYS A 80 10.704 14.305 -13.085 1.00 32.13 N ATOM 1229 CA LYS A 80 10.505 13.417 -11.946 1.00 31.25 C ATOM 1230 C LYS A 80 11.755 12.584 -11.680 1.00 40.01 C ATOM 1231 O LYS A 80 12.274 12.562 -10.564 1.00 13.13 O ATOM 1232 CB LYS A 80 9.309 12.495 -12.194 1.00 14.33 C ATOM 1233 CG LYS A 80 8.008 13.016 -11.608 1.00 54.51 C ATOM 1234 CD LYS A 80 6.830 12.138 -11.996 1.00 50.34 C ATOM 1235 CE LYS A 80 6.787 10.864 -11.166 1.00 42.44 C ATOM 1236 NZ LYS A 80 7.554 9.759 -11.806 1.00 54.53 N ATOM 0 H LYS A 80 10.103 14.105 -13.885 1.00 32.13 H new ATOM 0 HA LYS A 80 10.306 14.032 -11.069 1.00 31.25 H new ATOM 0 HB2 LYS A 80 9.184 12.356 -13.268 1.00 14.33 H new ATOM 0 HB3 LYS A 80 9.522 11.514 -11.769 1.00 14.33 H new ATOM 0 HG2 LYS A 80 8.089 13.059 -10.522 1.00 54.51 H new ATOM 0 HG3 LYS A 80 7.834 14.034 -11.955 1.00 54.51 H new ATOM 0 HD2 LYS A 80 5.901 12.693 -11.861 1.00 50.34 H new ATOM 0 HD3 LYS A 80 6.898 11.882 -13.053 1.00 50.34 H new ATOM 0 HE2 LYS A 80 7.195 11.062 -10.175 1.00 42.44 H new ATOM 0 HE3 LYS A 80 5.751 10.555 -11.029 1.00 42.44 H new ATOM 0 HZ1 LYS A 80 6.908 8.979 -12.042 1.00 54.53 H new ATOM 0 HZ2 LYS A 80 8.007 10.109 -12.674 1.00 54.53 H new ATOM 0 HZ3 LYS A 80 8.283 9.417 -11.149 1.00 54.53 H new ATOM 1250 N LYS A 81 12.235 11.901 -12.713 1.00 65.44 N ATOM 1251 CA LYS A 81 13.427 11.068 -12.593 1.00 54.35 C ATOM 1252 C LYS A 81 14.692 11.916 -12.666 1.00 5.21 C ATOM 1253 O LYS A 81 15.683 11.629 -11.993 1.00 74.31 O ATOM 1254 CB LYS A 81 13.446 10.008 -13.697 1.00 43.20 C ATOM 1255 CG LYS A 81 13.403 10.589 -15.100 1.00 2.44 C ATOM 1256 CD LYS A 81 14.788 10.648 -15.722 1.00 22.02 C ATOM 1257 CE LYS A 81 14.734 11.147 -17.157 1.00 54.35 C ATOM 1258 NZ LYS A 81 14.830 10.030 -18.137 1.00 44.24 N ATOM 0 H LYS A 81 11.817 11.907 -13.644 1.00 65.44 H new ATOM 0 HA LYS A 81 13.398 10.573 -11.622 1.00 54.35 H new ATOM 0 HB2 LYS A 81 14.346 9.402 -13.591 1.00 43.20 H new ATOM 0 HB3 LYS A 81 12.595 9.341 -13.563 1.00 43.20 H new ATOM 0 HG2 LYS A 81 12.748 9.983 -15.726 1.00 2.44 H new ATOM 0 HG3 LYS A 81 12.975 11.591 -15.067 1.00 2.44 H new ATOM 0 HD2 LYS A 81 15.426 11.305 -15.131 1.00 22.02 H new ATOM 0 HD3 LYS A 81 15.242 9.657 -15.697 1.00 22.02 H new ATOM 0 HE2 LYS A 81 13.804 11.692 -17.317 1.00 54.35 H new ATOM 0 HE3 LYS A 81 15.549 11.851 -17.328 1.00 54.35 H new ATOM 0 HZ1 LYS A 81 14.789 10.412 -19.104 1.00 44.24 H new ATOM 0 HZ2 LYS A 81 15.729 9.526 -18.001 1.00 44.24 H new ATOM 0 HZ3 LYS A 81 14.038 9.371 -17.991 1.00 44.24 H new ATOM 1272 N ARG A 82 14.653 12.962 -13.485 1.00 14.23 N ATOM 1273 CA ARG A 82 15.797 13.852 -13.644 1.00 74.21 C ATOM 1274 C ARG A 82 16.266 14.381 -12.292 1.00 42.02 C ATOM 1275 O ARG A 82 17.466 14.453 -12.024 1.00 13.20 O ATOM 1276 CB ARG A 82 15.437 15.020 -14.564 1.00 60.12 C ATOM 1277 CG ARG A 82 15.802 14.783 -16.020 1.00 45.14 C ATOM 1278 CD ARG A 82 15.828 16.084 -16.807 1.00 2.30 C ATOM 1279 NE ARG A 82 14.484 16.592 -17.068 1.00 42.53 N ATOM 1280 CZ ARG A 82 14.235 17.662 -17.816 1.00 4.24 C ATOM 1281 NH1 ARG A 82 15.234 18.333 -18.373 1.00 24.42 N ATOM 1282 NH2 ARG A 82 12.985 18.063 -18.007 1.00 60.12 N ATOM 0 H ARG A 82 13.841 13.214 -14.049 1.00 14.23 H new ATOM 0 HA ARG A 82 16.610 13.282 -14.093 1.00 74.21 H new ATOM 0 HB2 ARG A 82 14.366 15.211 -14.493 1.00 60.12 H new ATOM 0 HB3 ARG A 82 15.945 15.918 -14.212 1.00 60.12 H new ATOM 0 HG2 ARG A 82 16.778 14.302 -16.078 1.00 45.14 H new ATOM 0 HG3 ARG A 82 15.083 14.099 -16.470 1.00 45.14 H new ATOM 0 HD2 ARG A 82 16.397 16.831 -16.254 1.00 2.30 H new ATOM 0 HD3 ARG A 82 16.346 15.925 -17.753 1.00 2.30 H new ATOM 0 HE ARG A 82 13.693 16.099 -16.654 1.00 42.53 H new ATOM 0 HH11 ARG A 82 16.197 18.028 -18.228 1.00 24.42 H new ATOM 0 HH12 ARG A 82 15.040 19.154 -18.947 1.00 24.42 H new ATOM 0 HH21 ARG A 82 12.214 17.550 -17.580 1.00 60.12 H new ATOM 0 HH22 ARG A 82 12.795 18.884 -18.581 1.00 60.12 H new ATOM 1296 N LYS A 83 15.313 14.751 -11.444 1.00 32.22 N ATOM 1297 CA LYS A 83 15.627 15.273 -10.119 1.00 61.02 C ATOM 1298 C LYS A 83 15.522 14.177 -9.063 1.00 44.05 C ATOM 1299 O LYS A 83 16.446 13.968 -8.278 1.00 11.20 O ATOM 1300 CB LYS A 83 14.686 16.427 -9.767 1.00 33.12 C ATOM 1301 CG LYS A 83 15.320 17.479 -8.874 1.00 25.34 C ATOM 1302 CD LYS A 83 14.694 18.846 -9.090 1.00 42.04 C ATOM 1303 CE LYS A 83 13.565 19.104 -8.105 1.00 12.40 C ATOM 1304 NZ LYS A 83 12.242 18.706 -8.661 1.00 31.44 N ATOM 0 H LYS A 83 14.316 14.699 -11.651 1.00 32.22 H new ATOM 0 HA LYS A 83 16.653 15.641 -10.135 1.00 61.02 H new ATOM 0 HB2 LYS A 83 14.346 16.901 -10.688 1.00 33.12 H new ATOM 0 HB3 LYS A 83 13.803 16.026 -9.270 1.00 33.12 H new ATOM 0 HG2 LYS A 83 15.207 17.187 -7.830 1.00 25.34 H new ATOM 0 HG3 LYS A 83 16.390 17.532 -9.076 1.00 25.34 H new ATOM 0 HD2 LYS A 83 15.456 19.618 -8.982 1.00 42.04 H new ATOM 0 HD3 LYS A 83 14.313 18.916 -10.109 1.00 42.04 H new ATOM 0 HE2 LYS A 83 13.753 18.552 -7.184 1.00 12.40 H new ATOM 0 HE3 LYS A 83 13.546 20.162 -7.844 1.00 12.40 H new ATOM 0 HZ1 LYS A 83 11.499 18.898 -7.959 1.00 31.44 H new ATOM 0 HZ2 LYS A 83 12.051 19.251 -9.526 1.00 31.44 H new ATOM 0 HZ3 LYS A 83 12.251 17.691 -8.887 1.00 31.44 H new ATOM 1318 N GLY A 84 14.391 13.478 -9.052 1.00 41.40 N ATOM 1319 CA GLY A 84 14.188 12.412 -8.089 1.00 72.55 C ATOM 1320 C GLY A 84 14.476 11.042 -8.672 1.00 52.23 C ATOM 1321 O GLY A 84 15.138 10.218 -8.041 1.00 51.52 O ATOM 0 H GLY A 84 13.612 13.631 -9.693 1.00 41.40 H new ATOM 0 HA2 GLY A 84 14.832 12.579 -7.226 1.00 72.55 H new ATOM 0 HA3 GLY A 84 13.159 12.442 -7.730 1.00 72.55 H new TER 1325 GLY A 84