USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 611 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 36 LYS NZ :NH3+ 165:sc= 1.04 (180deg=0) USER MOD Set 1.2: A 43 THR OG1 : rot 23:sc= 1.44 USER MOD Set 1.3: A 73 THR OG1 : rot 30:sc= 0.228 USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.0708) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.06 (180deg=0.456) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.14) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.415 USER MOD Single : A 30 THR OG1 : rot 85:sc= 1.11 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 79:sc= 0.439 USER MOD Single : A 35 MET CE :methyl -172:sc= 0 (180deg=-0.0655) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -6:sc= 0.018 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.273 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.163 5.987 13.682 1.00 0.00 N ATOM 2 CA MET A 1 -5.087 6.730 12.394 1.00 0.00 C ATOM 3 C MET A 1 -5.689 5.890 11.269 1.00 0.00 C ATOM 4 O MET A 1 -5.694 4.646 11.330 1.00 0.00 O ATOM 5 CB MET A 1 -3.645 7.146 12.024 1.00 0.00 C ATOM 6 CG MET A 1 -3.043 8.204 12.963 1.00 0.00 C ATOM 7 SD MET A 1 -2.598 7.659 14.641 1.00 0.00 S ATOM 8 CE MET A 1 -1.202 6.553 14.294 1.00 0.00 C ATOM 0 H1 MET A 1 -4.379 6.280 14.299 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.068 6.195 14.150 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.096 4.966 13.498 1.00 0.00 H new ATOM 0 HA MET A 1 -5.661 7.647 12.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.008 6.261 12.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.639 7.533 11.005 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.148 8.608 12.489 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.755 9.024 13.051 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.722 6.268 15.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.563 5.660 13.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.480 7.066 13.658 1.00 0.00 H new ATOM 17 N LYS A 2 -6.212 6.533 10.213 1.00 0.00 N ATOM 18 CA LYS A 2 -6.773 5.871 9.018 1.00 0.00 C ATOM 19 C LYS A 2 -6.067 6.292 7.729 1.00 0.00 C ATOM 20 O LYS A 2 -5.663 7.446 7.576 1.00 0.00 O ATOM 21 CB LYS A 2 -8.281 6.147 8.878 1.00 0.00 C ATOM 22 CG LYS A 2 -9.142 5.654 10.050 1.00 0.00 C ATOM 23 CD LYS A 2 -10.619 5.966 9.766 1.00 0.00 C ATOM 24 CE LYS A 2 -11.510 5.554 10.941 1.00 0.00 C ATOM 25 NZ LYS A 2 -12.931 5.893 10.671 1.00 0.00 N ATOM 0 H LYS A 2 -6.259 7.551 10.162 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.610 4.803 9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.430 7.221 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.638 5.677 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.006 4.582 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.828 6.138 10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.737 7.032 9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.937 5.442 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.414 4.483 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.178 6.057 11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.517 5.605 11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.022 6.919 10.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.251 5.393 9.817 1.00 0.00 H new ATOM 39 N ILE A 3 -5.995 5.354 6.788 1.00 0.00 N ATOM 40 CA ILE A 3 -5.509 5.530 5.413 1.00 0.00 C ATOM 41 C ILE A 3 -6.562 5.039 4.410 1.00 0.00 C ATOM 42 O ILE A 3 -7.520 4.358 4.789 1.00 0.00 O ATOM 43 CB ILE A 3 -4.123 4.864 5.212 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.084 3.329 5.418 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.089 5.542 6.128 1.00 0.00 C ATOM 46 CD1 ILE A 3 -4.546 2.505 4.206 1.00 0.00 C ATOM 0 H ILE A 3 -6.290 4.395 6.970 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.358 6.593 5.226 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.882 5.012 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.065 3.036 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.711 3.075 6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.115 5.074 5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.022 6.601 5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.397 5.432 7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.484 1.443 4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.577 2.763 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.905 2.724 3.352 1.00 0.00 H new ATOM 58 N LYS A 4 -6.396 5.381 3.128 1.00 0.00 N ATOM 59 CA LYS A 4 -7.334 5.017 2.053 1.00 0.00 C ATOM 60 C LYS A 4 -6.606 4.355 0.881 1.00 0.00 C ATOM 61 O LYS A 4 -5.945 5.027 0.091 1.00 0.00 O ATOM 62 CB LYS A 4 -8.160 6.265 1.685 1.00 0.00 C ATOM 63 CG LYS A 4 -9.578 5.924 1.204 1.00 0.00 C ATOM 64 CD LYS A 4 -10.495 7.150 1.331 1.00 0.00 C ATOM 65 CE LYS A 4 -11.967 6.782 1.104 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.868 7.705 1.843 1.00 0.00 N ATOM 0 H LYS A 4 -5.598 5.925 2.801 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.038 4.255 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.224 6.921 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.641 6.821 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.547 5.591 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.980 5.099 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.378 7.591 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.193 7.907 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.195 6.821 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.144 5.757 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.854 7.394 1.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.619 7.699 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.763 8.669 1.466 1.00 0.00 H new ATOM 80 N ILE A 5 -6.670 3.027 0.803 1.00 0.00 N ATOM 81 CA ILE A 5 -5.986 2.235 -0.230 1.00 0.00 C ATOM 82 C ILE A 5 -6.846 2.113 -1.497 1.00 0.00 C ATOM 83 O ILE A 5 -8.067 1.974 -1.422 1.00 0.00 O ATOM 84 CB ILE A 5 -5.510 0.878 0.340 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.546 0.187 -0.652 1.00 0.00 C ATOM 86 CG2 ILE A 5 -6.674 -0.055 0.722 1.00 0.00 C ATOM 87 CD1 ILE A 5 -3.729 -0.947 -0.023 1.00 0.00 C ATOM 0 H ILE A 5 -7.204 2.459 1.461 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.083 2.761 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.975 1.091 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.122 -0.211 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.863 0.932 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.276 -0.991 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.291 0.425 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.280 -0.261 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.075 -1.386 -0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.126 -0.551 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.404 -1.712 0.361 1.00 0.00 H new ATOM 99 N VAL A 6 -6.206 2.167 -2.666 1.00 0.00 N ATOM 100 CA VAL A 6 -6.845 2.153 -3.991 1.00 0.00 C ATOM 101 C VAL A 6 -6.188 1.072 -4.866 1.00 0.00 C ATOM 102 O VAL A 6 -5.277 1.371 -5.645 1.00 0.00 O ATOM 103 CB VAL A 6 -6.805 3.555 -4.646 1.00 0.00 C ATOM 104 CG1 VAL A 6 -7.732 3.595 -5.867 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.231 4.675 -3.687 1.00 0.00 C ATOM 0 H VAL A 6 -5.189 2.224 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.900 1.901 -3.882 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.768 3.726 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.695 4.586 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.407 2.852 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.753 3.376 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.183 5.634 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.252 4.496 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.562 4.692 -2.827 1.00 0.00 H new ATOM 115 N PRO A 7 -6.576 -0.209 -4.708 1.00 0.00 N ATOM 116 CA PRO A 7 -6.047 -1.304 -5.515 1.00 0.00 C ATOM 117 C PRO A 7 -6.604 -1.283 -6.947 1.00 0.00 C ATOM 118 O PRO A 7 -7.789 -1.028 -7.165 1.00 0.00 O ATOM 119 CB PRO A 7 -6.439 -2.581 -4.764 1.00 0.00 C ATOM 120 CG PRO A 7 -7.745 -2.192 -4.068 1.00 0.00 C ATOM 121 CD PRO A 7 -7.538 -0.715 -3.734 1.00 0.00 C ATOM 0 HA PRO A 7 -4.967 -1.228 -5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.580 -3.421 -5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.673 -2.877 -4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.607 -2.341 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.916 -2.787 -3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.478 -0.167 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.163 -0.594 -2.718 1.00 0.00 H new ATOM 129 N ALA A 8 -5.771 -1.626 -7.931 1.00 0.00 N ATOM 130 CA ALA A 8 -6.143 -1.788 -9.344 1.00 0.00 C ATOM 131 C ALA A 8 -6.873 -3.125 -9.654 1.00 0.00 C ATOM 132 O ALA A 8 -6.837 -3.623 -10.781 1.00 0.00 O ATOM 133 CB ALA A 8 -4.875 -1.584 -10.187 1.00 0.00 C ATOM 0 H ALA A 8 -4.781 -1.806 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.886 -1.034 -9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.118 -1.698 -11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.479 -0.584 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.127 -2.325 -9.905 1.00 0.00 H new ATOM 139 N VAL A 9 -7.502 -3.736 -8.643 1.00 0.00 N ATOM 140 CA VAL A 9 -8.132 -5.071 -8.659 1.00 0.00 C ATOM 141 C VAL A 9 -9.221 -5.150 -7.571 1.00 0.00 C ATOM 142 O VAL A 9 -9.233 -4.331 -6.649 1.00 0.00 O ATOM 143 CB VAL A 9 -7.040 -6.161 -8.512 1.00 0.00 C ATOM 144 CG1 VAL A 9 -6.297 -6.101 -7.169 1.00 0.00 C ATOM 145 CG2 VAL A 9 -7.569 -7.587 -8.702 1.00 0.00 C ATOM 0 H VAL A 9 -7.593 -3.287 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.631 -5.247 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.344 -5.930 -9.318 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.547 -6.891 -7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.808 -5.132 -7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.008 -6.237 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.750 -8.297 -8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.337 -7.793 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.996 -7.687 -9.700 1.00 0.00 H new ATOM 155 N GLY A 10 -10.158 -6.099 -7.672 1.00 0.00 N ATOM 156 CA GLY A 10 -11.228 -6.293 -6.678 1.00 0.00 C ATOM 157 C GLY A 10 -12.337 -5.234 -6.740 1.00 0.00 C ATOM 158 O GLY A 10 -12.868 -4.824 -5.705 1.00 0.00 O ATOM 0 H GLY A 10 -10.199 -6.759 -8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.672 -7.278 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.789 -6.286 -5.680 1.00 0.00 H new ATOM 162 N GLY A 11 -12.658 -4.756 -7.947 1.00 0.00 N ATOM 163 CA GLY A 11 -13.654 -3.706 -8.215 1.00 0.00 C ATOM 164 C GLY A 11 -13.074 -2.293 -8.387 1.00 0.00 C ATOM 165 O GLY A 11 -13.795 -1.385 -8.805 1.00 0.00 O ATOM 0 H GLY A 11 -12.216 -5.101 -8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.204 -3.970 -9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.374 -3.691 -7.396 1.00 0.00 H new ATOM 169 N GLY A 12 -11.781 -2.091 -8.102 1.00 0.00 N ATOM 170 CA GLY A 12 -11.034 -0.854 -8.393 1.00 0.00 C ATOM 171 C GLY A 12 -11.357 0.368 -7.514 1.00 0.00 C ATOM 172 O GLY A 12 -10.775 1.436 -7.714 1.00 0.00 O ATOM 0 H GLY A 12 -11.207 -2.802 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.969 -1.069 -8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.215 -0.583 -9.433 1.00 0.00 H new ATOM 176 N SER A 13 -12.286 0.241 -6.561 1.00 0.00 N ATOM 177 CA SER A 13 -12.750 1.335 -5.693 1.00 0.00 C ATOM 178 C SER A 13 -11.796 1.618 -4.517 1.00 0.00 C ATOM 179 O SER A 13 -11.122 0.696 -4.043 1.00 0.00 O ATOM 180 CB SER A 13 -14.148 1.016 -5.145 1.00 0.00 C ATOM 181 OG SER A 13 -15.103 0.977 -6.196 1.00 0.00 O ATOM 0 H SER A 13 -12.749 -0.646 -6.365 1.00 0.00 H new ATOM 0 HA SER A 13 -12.778 2.231 -6.313 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.131 0.057 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.437 1.769 -4.412 1.00 0.00 H new ATOM 0 HG SER A 13 -15.987 0.771 -5.827 1.00 0.00 H new ATOM 187 N PRO A 14 -11.751 2.863 -3.995 1.00 0.00 N ATOM 188 CA PRO A 14 -11.038 3.185 -2.758 1.00 0.00 C ATOM 189 C PRO A 14 -11.655 2.475 -1.540 1.00 0.00 C ATOM 190 O PRO A 14 -12.878 2.328 -1.446 1.00 0.00 O ATOM 191 CB PRO A 14 -11.130 4.710 -2.619 1.00 0.00 C ATOM 192 CG PRO A 14 -12.429 5.054 -3.343 1.00 0.00 C ATOM 193 CD PRO A 14 -12.451 4.044 -4.489 1.00 0.00 C ATOM 0 HA PRO A 14 -10.004 2.844 -2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.159 5.017 -1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.273 5.207 -3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.296 4.947 -2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.430 6.081 -3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.474 3.800 -4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.960 4.447 -5.375 1.00 0.00 H new ATOM 201 N LEU A 15 -10.814 2.081 -0.580 1.00 0.00 N ATOM 202 CA LEU A 15 -11.203 1.459 0.692 1.00 0.00 C ATOM 203 C LEU A 15 -10.491 2.143 1.867 1.00 0.00 C ATOM 204 O LEU A 15 -9.262 2.198 1.922 1.00 0.00 O ATOM 205 CB LEU A 15 -10.895 -0.051 0.660 1.00 0.00 C ATOM 206 CG LEU A 15 -11.741 -0.874 -0.332 1.00 0.00 C ATOM 207 CD1 LEU A 15 -11.214 -2.308 -0.388 1.00 0.00 C ATOM 208 CD2 LEU A 15 -13.217 -0.931 0.071 1.00 0.00 C ATOM 0 H LEU A 15 -9.804 2.190 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.276 1.587 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.842 -0.185 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.042 -0.457 1.661 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.662 -0.382 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.813 -2.889 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.175 -2.301 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.278 -2.758 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.771 -1.522 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.308 -1.391 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.624 0.079 0.104 1.00 0.00 H new ATOM 220 N GLU A 16 -11.268 2.673 2.810 1.00 0.00 N ATOM 221 CA GLU A 16 -10.772 3.337 4.021 1.00 0.00 C ATOM 222 C GLU A 16 -10.571 2.330 5.168 1.00 0.00 C ATOM 223 O GLU A 16 -11.450 1.505 5.435 1.00 0.00 O ATOM 224 CB GLU A 16 -11.744 4.468 4.386 1.00 0.00 C ATOM 225 CG GLU A 16 -11.217 5.409 5.477 1.00 0.00 C ATOM 226 CD GLU A 16 -12.116 6.654 5.621 1.00 0.00 C ATOM 227 OE1 GLU A 16 -12.398 7.329 4.598 1.00 0.00 O ATOM 228 OE2 GLU A 16 -12.545 6.963 6.759 1.00 0.00 O ATOM 0 H GLU A 16 -12.286 2.654 2.754 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.789 3.770 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.962 5.051 3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.686 4.032 4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.171 4.878 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.200 5.717 5.235 1.00 0.00 H new ATOM 235 N LEU A 17 -9.419 2.388 5.846 1.00 0.00 N ATOM 236 CA LEU A 17 -9.010 1.417 6.870 1.00 0.00 C ATOM 237 C LEU A 17 -8.118 2.064 7.939 1.00 0.00 C ATOM 238 O LEU A 17 -7.270 2.902 7.637 1.00 0.00 O ATOM 239 CB LEU A 17 -8.268 0.239 6.192 1.00 0.00 C ATOM 240 CG LEU A 17 -9.005 -1.107 6.308 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.321 -2.152 5.428 1.00 0.00 C ATOM 242 CD2 LEU A 17 -9.011 -1.628 7.748 1.00 0.00 C ATOM 0 H LEU A 17 -8.731 3.126 5.696 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.905 1.049 7.372 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.121 0.473 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.278 0.140 6.638 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.033 -0.940 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.848 -3.102 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.339 -1.821 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.288 -2.279 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.541 -2.580 7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.985 -1.769 8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.512 -0.907 8.394 1.00 0.00 H new ATOM 254 N GLU A 18 -8.277 1.638 9.193 1.00 0.00 N ATOM 255 CA GLU A 18 -7.349 1.968 10.281 1.00 0.00 C ATOM 256 C GLU A 18 -5.988 1.262 10.113 1.00 0.00 C ATOM 257 O GLU A 18 -5.902 0.167 9.546 1.00 0.00 O ATOM 258 CB GLU A 18 -7.996 1.678 11.647 1.00 0.00 C ATOM 259 CG GLU A 18 -8.311 0.194 11.907 1.00 0.00 C ATOM 260 CD GLU A 18 -8.927 -0.057 13.301 1.00 0.00 C ATOM 261 OE1 GLU A 18 -9.696 0.794 13.814 1.00 0.00 O ATOM 262 OE2 GLU A 18 -8.660 -1.132 13.892 1.00 0.00 O ATOM 0 H GLU A 18 -9.058 1.050 9.486 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.140 3.037 10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.331 2.037 12.432 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.920 2.251 11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.999 -0.165 11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.395 -0.389 11.810 1.00 0.00 H new ATOM 269 N VAL A 19 -4.915 1.879 10.621 1.00 0.00 N ATOM 270 CA VAL A 19 -3.545 1.337 10.576 1.00 0.00 C ATOM 271 C VAL A 19 -2.742 1.731 11.823 1.00 0.00 C ATOM 272 O VAL A 19 -2.854 2.853 12.325 1.00 0.00 O ATOM 273 CB VAL A 19 -2.844 1.728 9.254 1.00 0.00 C ATOM 274 CG1 VAL A 19 -2.574 3.231 9.117 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.516 0.985 9.066 1.00 0.00 C ATOM 0 H VAL A 19 -4.972 2.786 11.084 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.603 0.249 10.590 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.553 1.435 8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.081 3.427 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.518 3.775 9.155 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.931 3.561 9.933 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.058 1.290 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.845 1.225 9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.699 -0.089 9.049 1.00 0.00 H new ATOM 285 N ALA A 20 -1.941 0.796 12.341 1.00 0.00 N ATOM 286 CA ALA A 20 -1.062 1.016 13.490 1.00 0.00 C ATOM 287 C ALA A 20 0.192 1.841 13.110 1.00 0.00 C ATOM 288 O ALA A 20 0.745 1.645 12.023 1.00 0.00 O ATOM 289 CB ALA A 20 -0.674 -0.350 14.072 1.00 0.00 C ATOM 0 H ALA A 20 -1.885 -0.151 11.966 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.594 1.601 14.240 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.018 -0.207 14.931 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.573 -0.880 14.387 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.155 -0.935 13.313 1.00 0.00 H new ATOM 295 N PRO A 21 0.711 2.708 14.001 1.00 0.00 N ATOM 296 CA PRO A 21 1.913 3.504 13.729 1.00 0.00 C ATOM 297 C PRO A 21 3.195 2.650 13.613 1.00 0.00 C ATOM 298 O PRO A 21 4.168 3.067 12.984 1.00 0.00 O ATOM 299 CB PRO A 21 1.976 4.513 14.879 1.00 0.00 C ATOM 300 CG PRO A 21 1.294 3.791 16.039 1.00 0.00 C ATOM 301 CD PRO A 21 0.198 2.996 15.336 1.00 0.00 C ATOM 0 HA PRO A 21 1.855 3.996 12.758 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.005 4.777 15.123 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.460 5.439 14.626 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.986 3.141 16.575 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.884 4.491 16.767 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.026 2.076 15.876 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.728 3.568 15.284 1.00 0.00 H new ATOM 309 N ASN A 22 3.200 1.432 14.163 1.00 0.00 N ATOM 310 CA ASN A 22 4.308 0.475 14.036 1.00 0.00 C ATOM 311 C ASN A 22 4.390 -0.222 12.656 1.00 0.00 C ATOM 312 O ASN A 22 5.355 -0.946 12.401 1.00 0.00 O ATOM 313 CB ASN A 22 4.204 -0.551 15.181 1.00 0.00 C ATOM 314 CG ASN A 22 4.322 0.081 16.560 1.00 0.00 C ATOM 315 OD1 ASN A 22 5.203 0.885 16.832 1.00 0.00 O ATOM 316 ND2 ASN A 22 3.442 -0.254 17.477 1.00 0.00 N ATOM 0 H ASN A 22 2.422 1.076 14.719 1.00 0.00 H new ATOM 0 HA ASN A 22 5.238 1.038 14.111 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.250 -1.073 15.108 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.987 -1.300 15.063 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.496 0.156 18.409 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.705 -0.924 17.256 1.00 0.00 H new ATOM 323 N ALA A 23 3.405 -0.029 11.767 1.00 0.00 N ATOM 324 CA ALA A 23 3.401 -0.603 10.418 1.00 0.00 C ATOM 325 C ALA A 23 4.521 -0.031 9.519 1.00 0.00 C ATOM 326 O ALA A 23 5.018 1.079 9.743 1.00 0.00 O ATOM 327 CB ALA A 23 2.017 -0.390 9.793 1.00 0.00 C ATOM 0 H ALA A 23 2.581 0.537 11.969 1.00 0.00 H new ATOM 0 HA ALA A 23 3.609 -1.670 10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.002 -0.813 8.789 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.262 -0.882 10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.802 0.677 9.740 1.00 0.00 H new ATOM 333 N THR A 24 4.890 -0.784 8.476 1.00 0.00 N ATOM 334 CA THR A 24 5.932 -0.419 7.496 1.00 0.00 C ATOM 335 C THR A 24 5.431 -0.627 6.063 1.00 0.00 C ATOM 336 O THR A 24 4.666 -1.558 5.789 1.00 0.00 O ATOM 337 CB THR A 24 7.286 -1.139 7.734 1.00 0.00 C ATOM 338 OG1 THR A 24 7.452 -2.261 6.890 1.00 0.00 O ATOM 339 CG2 THR A 24 7.508 -1.648 9.162 1.00 0.00 C ATOM 0 H THR A 24 4.463 -1.690 8.281 1.00 0.00 H new ATOM 0 HA THR A 24 6.133 0.642 7.644 1.00 0.00 H new ATOM 0 HB THR A 24 8.010 -0.353 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.318 -2.683 7.073 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.481 -2.136 9.227 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.475 -0.809 9.857 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.726 -2.362 9.419 1.00 0.00 H new ATOM 347 N VAL A 25 5.861 0.221 5.122 1.00 0.00 N ATOM 348 CA VAL A 25 5.448 0.118 3.707 1.00 0.00 C ATOM 349 C VAL A 25 5.992 -1.164 3.059 1.00 0.00 C ATOM 350 O VAL A 25 5.296 -1.795 2.263 1.00 0.00 O ATOM 351 CB VAL A 25 5.853 1.380 2.915 1.00 0.00 C ATOM 352 CG1 VAL A 25 5.382 1.313 1.457 1.00 0.00 C ATOM 353 CG2 VAL A 25 5.235 2.641 3.536 1.00 0.00 C ATOM 0 H VAL A 25 6.500 0.993 5.311 1.00 0.00 H new ATOM 0 HA VAL A 25 4.360 0.054 3.679 1.00 0.00 H new ATOM 0 HB VAL A 25 6.941 1.425 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.687 2.220 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.828 0.446 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.296 1.226 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.536 3.516 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.148 2.556 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.581 2.748 4.564 1.00 0.00 H new ATOM 363 N GLY A 26 7.192 -1.603 3.462 1.00 0.00 N ATOM 364 CA GLY A 26 7.791 -2.877 3.049 1.00 0.00 C ATOM 365 C GLY A 26 6.960 -4.094 3.467 1.00 0.00 C ATOM 366 O GLY A 26 6.714 -4.984 2.649 1.00 0.00 O ATOM 0 H GLY A 26 7.785 -1.070 4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.911 -2.881 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.788 -2.960 3.481 1.00 0.00 H new ATOM 370 N ALA A 27 6.452 -4.112 4.704 1.00 0.00 N ATOM 371 CA ALA A 27 5.549 -5.157 5.181 1.00 0.00 C ATOM 372 C ALA A 27 4.211 -5.146 4.418 1.00 0.00 C ATOM 373 O ALA A 27 3.759 -6.197 3.959 1.00 0.00 O ATOM 374 CB ALA A 27 5.348 -4.986 6.692 1.00 0.00 C ATOM 0 H ALA A 27 6.658 -3.398 5.403 1.00 0.00 H new ATOM 0 HA ALA A 27 5.996 -6.133 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.675 -5.761 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.309 -5.070 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.916 -4.006 6.893 1.00 0.00 H new ATOM 380 N VAL A 28 3.608 -3.966 4.218 1.00 0.00 N ATOM 381 CA VAL A 28 2.323 -3.805 3.510 1.00 0.00 C ATOM 382 C VAL A 28 2.401 -4.297 2.059 1.00 0.00 C ATOM 383 O VAL A 28 1.565 -5.108 1.653 1.00 0.00 O ATOM 384 CB VAL A 28 1.823 -2.347 3.600 1.00 0.00 C ATOM 385 CG1 VAL A 28 0.614 -2.061 2.698 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.392 -2.015 5.035 1.00 0.00 C ATOM 0 H VAL A 28 4.001 -3.084 4.546 1.00 0.00 H new ATOM 0 HA VAL A 28 1.589 -4.437 4.011 1.00 0.00 H new ATOM 0 HB VAL A 28 2.664 -1.735 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.315 -1.019 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.882 -2.251 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.214 -2.709 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.042 -0.984 5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.587 -2.685 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.240 -2.141 5.708 1.00 0.00 H new ATOM 396 N ARG A 29 3.416 -3.882 1.281 1.00 0.00 N ATOM 397 CA ARG A 29 3.580 -4.354 -0.111 1.00 0.00 C ATOM 398 C ARG A 29 3.850 -5.861 -0.180 1.00 0.00 C ATOM 399 O ARG A 29 3.271 -6.543 -1.025 1.00 0.00 O ATOM 400 CB ARG A 29 4.624 -3.518 -0.881 1.00 0.00 C ATOM 401 CG ARG A 29 6.088 -3.779 -0.488 1.00 0.00 C ATOM 402 CD ARG A 29 7.066 -2.927 -1.307 1.00 0.00 C ATOM 403 NE ARG A 29 8.471 -3.239 -0.966 1.00 0.00 N ATOM 404 CZ ARG A 29 9.185 -4.280 -1.365 1.00 0.00 C ATOM 405 NH1 ARG A 29 8.711 -5.187 -2.173 1.00 0.00 N ATOM 406 NH2 ARG A 29 10.410 -4.434 -0.955 1.00 0.00 N ATOM 0 H ARG A 29 4.133 -3.224 1.587 1.00 0.00 H new ATOM 0 HA ARG A 29 2.629 -4.197 -0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.510 -3.715 -1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.406 -2.461 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.222 -3.565 0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.319 -4.834 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.901 -3.102 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.872 -1.870 -1.124 1.00 0.00 H new ATOM 0 HE ARG A 29 8.944 -2.576 -0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.756 -5.110 -2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.295 -5.974 -2.456 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.826 -3.750 -0.322 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.955 -5.238 -1.266 1.00 0.00 H new ATOM 420 N THR A 30 4.656 -6.400 0.743 1.00 0.00 N ATOM 421 CA THR A 30 4.970 -7.840 0.812 1.00 0.00 C ATOM 422 C THR A 30 3.715 -8.672 1.080 1.00 0.00 C ATOM 423 O THR A 30 3.512 -9.700 0.430 1.00 0.00 O ATOM 424 CB THR A 30 6.044 -8.132 1.877 1.00 0.00 C ATOM 425 OG1 THR A 30 7.245 -7.470 1.541 1.00 0.00 O ATOM 426 CG2 THR A 30 6.393 -9.618 1.998 1.00 0.00 C ATOM 0 H THR A 30 5.114 -5.849 1.469 1.00 0.00 H new ATOM 0 HA THR A 30 5.369 -8.128 -0.161 1.00 0.00 H new ATOM 0 HB THR A 30 5.621 -7.786 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.214 -6.548 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.155 -9.751 2.766 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.500 -10.180 2.271 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.772 -9.982 1.043 1.00 0.00 H new ATOM 434 N LYS A 31 2.830 -8.209 1.974 1.00 0.00 N ATOM 435 CA LYS A 31 1.569 -8.893 2.305 1.00 0.00 C ATOM 436 C LYS A 31 0.652 -9.038 1.086 1.00 0.00 C ATOM 437 O LYS A 31 0.103 -10.113 0.863 1.00 0.00 O ATOM 438 CB LYS A 31 0.862 -8.145 3.455 1.00 0.00 C ATOM 439 CG LYS A 31 0.133 -9.057 4.455 1.00 0.00 C ATOM 440 CD LYS A 31 1.075 -9.797 5.428 1.00 0.00 C ATOM 441 CE LYS A 31 1.388 -11.239 5.001 1.00 0.00 C ATOM 442 NZ LYS A 31 2.315 -11.899 5.959 1.00 0.00 N ATOM 0 H LYS A 31 2.969 -7.342 2.493 1.00 0.00 H new ATOM 0 HA LYS A 31 1.806 -9.906 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.601 -7.553 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.142 -7.446 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.571 -8.458 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.452 -9.792 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.009 -9.240 5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.623 -9.810 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.462 -11.810 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.832 -11.237 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.507 -12.871 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.207 -11.366 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.880 -11.922 6.903 1.00 0.00 H new ATOM 456 N VAL A 32 0.531 -7.991 0.263 1.00 0.00 N ATOM 457 CA VAL A 32 -0.301 -8.004 -0.957 1.00 0.00 C ATOM 458 C VAL A 32 0.339 -8.811 -2.099 1.00 0.00 C ATOM 459 O VAL A 32 -0.369 -9.523 -2.814 1.00 0.00 O ATOM 460 CB VAL A 32 -0.670 -6.570 -1.391 1.00 0.00 C ATOM 461 CG1 VAL A 32 -1.523 -6.572 -2.666 1.00 0.00 C ATOM 462 CG2 VAL A 32 -1.479 -5.865 -0.292 1.00 0.00 C ATOM 0 H VAL A 32 1.008 -7.103 0.421 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.228 -8.521 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 32 0.268 -6.046 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.765 -5.546 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.967 -7.045 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.444 -7.126 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.730 -4.855 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.396 -6.423 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.886 -5.816 0.621 1.00 0.00 H new ATOM 472 N CYS A 33 1.671 -8.780 -2.239 1.00 0.00 N ATOM 473 CA CYS A 33 2.400 -9.661 -3.166 1.00 0.00 C ATOM 474 C CYS A 33 2.179 -11.147 -2.823 1.00 0.00 C ATOM 475 O CYS A 33 1.862 -11.948 -3.705 1.00 0.00 O ATOM 476 CB CYS A 33 3.898 -9.315 -3.140 1.00 0.00 C ATOM 477 SG CYS A 33 4.201 -7.665 -3.835 1.00 0.00 S ATOM 0 H CYS A 33 2.274 -8.146 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 33 2.012 -9.498 -4.171 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.265 -9.354 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.456 -10.060 -3.707 1.00 0.00 H new ATOM 0 HG CYS A 33 3.904 -6.760 -2.950 1.00 0.00 H new ATOM 483 N ALA A 34 2.274 -11.508 -1.538 1.00 0.00 N ATOM 484 CA ALA A 34 2.011 -12.861 -1.047 1.00 0.00 C ATOM 485 C ALA A 34 0.532 -13.275 -1.196 1.00 0.00 C ATOM 486 O ALA A 34 0.249 -14.398 -1.616 1.00 0.00 O ATOM 487 CB ALA A 34 2.472 -12.938 0.415 1.00 0.00 C ATOM 0 H ALA A 34 2.540 -10.856 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 34 2.571 -13.571 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.286 -13.939 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.538 -12.719 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.920 -12.210 1.009 1.00 0.00 H new ATOM 493 N MET A 35 -0.412 -12.366 -0.911 1.00 0.00 N ATOM 494 CA MET A 35 -1.859 -12.618 -0.990 1.00 0.00 C ATOM 495 C MET A 35 -2.326 -12.978 -2.411 1.00 0.00 C ATOM 496 O MET A 35 -3.091 -13.930 -2.581 1.00 0.00 O ATOM 497 CB MET A 35 -2.612 -11.394 -0.442 1.00 0.00 C ATOM 498 CG MET A 35 -4.138 -11.541 -0.499 1.00 0.00 C ATOM 499 SD MET A 35 -5.064 -10.156 0.225 1.00 0.00 S ATOM 500 CE MET A 35 -4.741 -10.422 1.992 1.00 0.00 C ATOM 0 H MET A 35 -0.187 -11.417 -0.613 1.00 0.00 H new ATOM 0 HA MET A 35 -2.086 -13.491 -0.378 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.309 -11.223 0.591 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.318 -10.512 -1.010 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.439 -11.656 -1.540 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.420 -12.458 0.018 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.355 -9.740 2.581 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.986 -11.451 2.256 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.688 -10.235 2.202 1.00 0.00 H new ATOM 510 N LYS A 36 -1.844 -12.256 -3.436 1.00 0.00 N ATOM 511 CA LYS A 36 -2.130 -12.562 -4.855 1.00 0.00 C ATOM 512 C LYS A 36 -1.174 -13.596 -5.477 1.00 0.00 C ATOM 513 O LYS A 36 -1.384 -14.006 -6.619 1.00 0.00 O ATOM 514 CB LYS A 36 -2.163 -11.272 -5.693 1.00 0.00 C ATOM 515 CG LYS A 36 -3.146 -10.221 -5.140 1.00 0.00 C ATOM 516 CD LYS A 36 -3.571 -9.171 -6.183 1.00 0.00 C ATOM 517 CE LYS A 36 -2.423 -8.598 -7.024 1.00 0.00 C ATOM 518 NZ LYS A 36 -1.421 -7.869 -6.208 1.00 0.00 N ATOM 0 H LYS A 36 -1.244 -11.441 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.116 -13.027 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.162 -10.842 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.441 -11.518 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.034 -10.728 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.685 -9.714 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.304 -9.621 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.071 -8.350 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.929 -9.410 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.832 -7.924 -7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.556 -7.725 -6.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.808 -6.946 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.195 -8.424 -5.358 1.00 0.00 H new ATOM 532 N LYS A 37 -0.129 -14.005 -4.742 1.00 0.00 N ATOM 533 CA LYS A 37 0.967 -14.897 -5.172 1.00 0.00 C ATOM 534 C LYS A 37 1.654 -14.406 -6.461 1.00 0.00 C ATOM 535 O LYS A 37 1.755 -15.131 -7.453 1.00 0.00 O ATOM 536 CB LYS A 37 0.465 -16.359 -5.205 1.00 0.00 C ATOM 537 CG LYS A 37 1.581 -17.420 -5.179 1.00 0.00 C ATOM 538 CD LYS A 37 2.247 -17.559 -3.798 1.00 0.00 C ATOM 539 CE LYS A 37 3.421 -18.549 -3.807 1.00 0.00 C ATOM 540 NZ LYS A 37 2.991 -19.950 -4.064 1.00 0.00 N ATOM 0 H LYS A 37 -0.016 -13.706 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 37 1.772 -14.867 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.194 -16.523 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.135 -16.503 -6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.166 -18.383 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.339 -17.160 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.602 -16.582 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.504 -17.888 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.138 -18.248 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.937 -18.502 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.822 -20.575 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.327 -20.251 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.522 -20.005 -4.991 1.00 0.00 H new ATOM 554 N LEU A 38 2.102 -13.147 -6.446 1.00 0.00 N ATOM 555 CA LEU A 38 2.766 -12.460 -7.566 1.00 0.00 C ATOM 556 C LEU A 38 4.043 -11.715 -7.118 1.00 0.00 C ATOM 557 O LEU A 38 4.096 -11.228 -5.984 1.00 0.00 O ATOM 558 CB LEU A 38 1.777 -11.483 -8.236 1.00 0.00 C ATOM 559 CG LEU A 38 0.692 -12.138 -9.113 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.301 -11.073 -9.580 1.00 0.00 C ATOM 561 CD2 LEU A 38 1.269 -12.812 -10.361 1.00 0.00 C ATOM 0 H LEU A 38 2.010 -12.552 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 38 3.076 -13.217 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.287 -10.898 -7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.344 -10.784 -8.851 1.00 0.00 H new ATOM 0 HG LEU A 38 0.211 -12.898 -8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.068 -11.537 -10.200 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.769 -10.607 -8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.225 -10.315 -10.160 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.460 -13.256 -10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.787 -12.070 -10.969 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.971 -13.590 -10.062 1.00 0.00 H new ATOM 573 N PRO A 39 5.069 -11.599 -7.986 1.00 0.00 N ATOM 574 CA PRO A 39 6.289 -10.840 -7.701 1.00 0.00 C ATOM 575 C PRO A 39 6.038 -9.316 -7.653 1.00 0.00 C ATOM 576 O PRO A 39 5.066 -8.827 -8.240 1.00 0.00 O ATOM 577 CB PRO A 39 7.262 -11.215 -8.827 1.00 0.00 C ATOM 578 CG PRO A 39 6.337 -11.501 -10.008 1.00 0.00 C ATOM 579 CD PRO A 39 5.133 -12.157 -9.333 1.00 0.00 C ATOM 0 HA PRO A 39 6.686 -11.086 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.956 -10.403 -9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.863 -12.086 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.059 -10.589 -10.536 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.803 -12.163 -10.738 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.216 -11.949 -9.885 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.247 -13.241 -9.301 1.00 0.00 H new ATOM 587 N PRO A 40 6.935 -8.530 -7.025 1.00 0.00 N ATOM 588 CA PRO A 40 6.814 -7.070 -6.978 1.00 0.00 C ATOM 589 C PRO A 40 6.891 -6.412 -8.367 1.00 0.00 C ATOM 590 O PRO A 40 6.297 -5.362 -8.593 1.00 0.00 O ATOM 591 CB PRO A 40 7.944 -6.598 -6.056 1.00 0.00 C ATOM 592 CG PRO A 40 8.994 -7.702 -6.175 1.00 0.00 C ATOM 593 CD PRO A 40 8.139 -8.959 -6.327 1.00 0.00 C ATOM 0 HA PRO A 40 5.834 -6.776 -6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.341 -5.633 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.600 -6.482 -5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.647 -7.550 -7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.633 -7.750 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.667 -9.727 -6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.897 -9.389 -5.355 1.00 0.00 H new ATOM 601 N ASP A 41 7.550 -7.043 -9.345 1.00 0.00 N ATOM 602 CA ASP A 41 7.580 -6.558 -10.736 1.00 0.00 C ATOM 603 C ASP A 41 6.238 -6.684 -11.490 1.00 0.00 C ATOM 604 O ASP A 41 6.114 -6.183 -12.611 1.00 0.00 O ATOM 605 CB ASP A 41 8.766 -7.188 -11.483 1.00 0.00 C ATOM 606 CG ASP A 41 10.134 -6.732 -10.937 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.238 -5.606 -10.383 1.00 0.00 O ATOM 608 OD2 ASP A 41 11.123 -7.486 -11.101 1.00 0.00 O ATOM 0 H ASP A 41 8.078 -7.903 -9.199 1.00 0.00 H new ATOM 0 HA ASP A 41 7.734 -5.480 -10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.697 -8.274 -11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.700 -6.932 -12.540 1.00 0.00 H new ATOM 613 N THR A 42 5.210 -7.266 -10.860 1.00 0.00 N ATOM 614 CA THR A 42 3.800 -7.211 -11.294 1.00 0.00 C ATOM 615 C THR A 42 2.843 -6.745 -10.180 1.00 0.00 C ATOM 616 O THR A 42 1.629 -6.902 -10.315 1.00 0.00 O ATOM 617 CB THR A 42 3.338 -8.542 -11.922 1.00 0.00 C ATOM 618 OG1 THR A 42 3.440 -9.608 -11.004 1.00 0.00 O ATOM 619 CG2 THR A 42 4.144 -8.934 -13.162 1.00 0.00 C ATOM 0 H THR A 42 5.336 -7.807 -10.005 1.00 0.00 H new ATOM 0 HA THR A 42 3.756 -6.449 -12.072 1.00 0.00 H new ATOM 0 HB THR A 42 2.300 -8.370 -12.208 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.876 -9.294 -10.185 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.769 -9.879 -13.556 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.043 -8.159 -13.922 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.195 -9.044 -12.893 1.00 0.00 H new ATOM 627 N THR A 43 3.354 -6.166 -9.083 1.00 0.00 N ATOM 628 CA THR A 43 2.578 -5.574 -7.968 1.00 0.00 C ATOM 629 C THR A 43 3.399 -4.492 -7.242 1.00 0.00 C ATOM 630 O THR A 43 4.355 -4.813 -6.536 1.00 0.00 O ATOM 631 CB THR A 43 2.122 -6.655 -6.964 1.00 0.00 C ATOM 632 OG1 THR A 43 1.087 -7.436 -7.529 1.00 0.00 O ATOM 633 CG2 THR A 43 1.497 -6.092 -5.687 1.00 0.00 C ATOM 0 H THR A 43 4.361 -6.091 -8.937 1.00 0.00 H new ATOM 0 HA THR A 43 1.690 -5.111 -8.398 1.00 0.00 H new ATOM 0 HB THR A 43 3.031 -7.210 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.131 -7.380 -8.506 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.203 -6.913 -5.033 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.223 -5.462 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.619 -5.499 -5.943 1.00 0.00 H new ATOM 641 N ARG A 44 3.018 -3.211 -7.367 1.00 0.00 N ATOM 642 CA ARG A 44 3.711 -2.062 -6.736 1.00 0.00 C ATOM 643 C ARG A 44 2.749 -1.105 -6.020 1.00 0.00 C ATOM 644 O ARG A 44 1.573 -1.019 -6.366 1.00 0.00 O ATOM 645 CB ARG A 44 4.582 -1.297 -7.756 1.00 0.00 C ATOM 646 CG ARG A 44 5.648 -2.156 -8.463 1.00 0.00 C ATOM 647 CD ARG A 44 6.730 -1.261 -9.091 1.00 0.00 C ATOM 648 NE ARG A 44 7.467 -1.905 -10.200 1.00 0.00 N ATOM 649 CZ ARG A 44 8.395 -2.846 -10.143 1.00 0.00 C ATOM 650 NH1 ARG A 44 8.754 -3.451 -9.050 1.00 0.00 N ATOM 651 NH2 ARG A 44 9.012 -3.239 -11.216 1.00 0.00 N ATOM 0 H ARG A 44 2.206 -2.933 -7.918 1.00 0.00 H new ATOM 0 HA ARG A 44 4.364 -2.486 -5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.931 -0.856 -8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.079 -0.474 -7.243 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.104 -2.841 -7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.179 -2.766 -9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.264 -0.347 -9.459 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.440 -0.968 -8.317 1.00 0.00 H new ATOM 0 HE ARG A 44 7.227 -1.579 -11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.312 -3.208 -8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.478 -4.169 -9.079 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.783 -2.821 -12.118 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.725 -3.966 -11.157 1.00 0.00 H new ATOM 665 N LEU A 45 3.265 -0.371 -5.033 1.00 0.00 N ATOM 666 CA LEU A 45 2.521 0.517 -4.131 1.00 0.00 C ATOM 667 C LEU A 45 3.147 1.924 -4.118 1.00 0.00 C ATOM 668 O LEU A 45 4.364 2.055 -3.961 1.00 0.00 O ATOM 669 CB LEU A 45 2.509 -0.154 -2.742 1.00 0.00 C ATOM 670 CG LEU A 45 1.911 0.666 -1.584 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.439 1.006 -1.805 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.015 -0.153 -0.296 1.00 0.00 C ATOM 0 H LEU A 45 4.264 -0.378 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 45 1.493 0.660 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.953 -1.088 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.535 -0.414 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 45 2.471 1.599 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.068 1.584 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.334 1.591 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.137 0.085 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.595 0.417 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.463 -1.085 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.062 -0.375 -0.089 1.00 0.00 H new ATOM 684 N THR A 46 2.330 2.970 -4.271 1.00 0.00 N ATOM 685 CA THR A 46 2.781 4.373 -4.381 1.00 0.00 C ATOM 686 C THR A 46 1.932 5.351 -3.560 1.00 0.00 C ATOM 687 O THR A 46 0.734 5.144 -3.340 1.00 0.00 O ATOM 688 CB THR A 46 2.846 4.849 -5.849 1.00 0.00 C ATOM 689 OG1 THR A 46 1.584 4.795 -6.483 1.00 0.00 O ATOM 690 CG2 THR A 46 3.806 4.023 -6.705 1.00 0.00 C ATOM 0 H THR A 46 1.316 2.871 -4.324 1.00 0.00 H new ATOM 0 HA THR A 46 3.787 4.377 -3.962 1.00 0.00 H new ATOM 0 HB THR A 46 3.202 5.877 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.669 5.106 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.806 4.407 -7.725 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.812 4.090 -6.291 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.485 2.981 -6.710 1.00 0.00 H new ATOM 698 N TYR A 47 2.559 6.453 -3.141 1.00 0.00 N ATOM 699 CA TYR A 47 1.965 7.565 -2.392 1.00 0.00 C ATOM 700 C TYR A 47 2.555 8.903 -2.863 1.00 0.00 C ATOM 701 O TYR A 47 3.771 9.022 -3.031 1.00 0.00 O ATOM 702 CB TYR A 47 2.210 7.363 -0.888 1.00 0.00 C ATOM 703 CG TYR A 47 1.888 8.573 -0.021 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.597 9.138 -0.036 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.893 9.166 0.769 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.307 10.279 0.735 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.609 10.306 1.546 1.00 0.00 C ATOM 708 CZ TYR A 47 1.312 10.867 1.531 1.00 0.00 C ATOM 709 OH TYR A 47 1.028 11.981 2.260 1.00 0.00 O ATOM 0 H TYR A 47 3.551 6.602 -3.325 1.00 0.00 H new ATOM 0 HA TYR A 47 0.891 7.586 -2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.611 6.519 -0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.255 7.093 -0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.176 8.692 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.887 8.744 0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.685 10.705 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.383 10.752 2.154 1.00 0.00 H new ATOM 0 HH TYR A 47 1.827 12.261 2.754 1.00 0.00 H new ATOM 719 N LYS A 48 1.699 9.911 -3.086 1.00 0.00 N ATOM 720 CA LYS A 48 2.077 11.290 -3.467 1.00 0.00 C ATOM 721 C LYS A 48 3.031 11.373 -4.681 1.00 0.00 C ATOM 722 O LYS A 48 3.902 12.243 -4.754 1.00 0.00 O ATOM 723 CB LYS A 48 2.579 12.040 -2.210 1.00 0.00 C ATOM 724 CG LYS A 48 2.255 13.544 -2.208 1.00 0.00 C ATOM 725 CD LYS A 48 0.782 13.818 -1.850 1.00 0.00 C ATOM 726 CE LYS A 48 0.404 15.301 -1.975 1.00 0.00 C ATOM 727 NZ LYS A 48 1.094 16.156 -0.973 1.00 0.00 N ATOM 0 H LYS A 48 0.689 9.790 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 48 1.187 11.800 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.136 11.582 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.658 11.911 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.902 14.053 -1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.473 13.963 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.139 13.228 -2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.593 13.485 -0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.651 15.651 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.674 15.408 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.803 17.146 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.839 15.842 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.123 16.078 -1.100 1.00 0.00 H new ATOM 741 N GLY A 49 2.885 10.441 -5.628 1.00 0.00 N ATOM 742 CA GLY A 49 3.716 10.319 -6.835 1.00 0.00 C ATOM 743 C GLY A 49 5.064 9.599 -6.654 1.00 0.00 C ATOM 744 O GLY A 49 5.886 9.627 -7.573 1.00 0.00 O ATOM 0 H GLY A 49 2.161 9.725 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.142 9.789 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.910 11.320 -7.222 1.00 0.00 H new ATOM 748 N ARG A 50 5.313 8.957 -5.500 1.00 0.00 N ATOM 749 CA ARG A 50 6.566 8.251 -5.156 1.00 0.00 C ATOM 750 C ARG A 50 6.324 6.808 -4.692 1.00 0.00 C ATOM 751 O ARG A 50 5.294 6.499 -4.092 1.00 0.00 O ATOM 752 CB ARG A 50 7.334 9.043 -4.080 1.00 0.00 C ATOM 753 CG ARG A 50 7.810 10.419 -4.572 1.00 0.00 C ATOM 754 CD ARG A 50 8.628 11.134 -3.489 1.00 0.00 C ATOM 755 NE ARG A 50 9.119 12.448 -3.954 1.00 0.00 N ATOM 756 CZ ARG A 50 10.234 12.701 -4.619 1.00 0.00 C ATOM 757 NH1 ARG A 50 11.069 11.762 -4.967 1.00 0.00 N ATOM 758 NH2 ARG A 50 10.536 13.923 -4.954 1.00 0.00 N ATOM 0 H ARG A 50 4.623 8.912 -4.750 1.00 0.00 H new ATOM 0 HA ARG A 50 7.165 8.190 -6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.693 9.177 -3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.197 8.461 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.415 10.299 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.950 11.029 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.014 11.269 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.474 10.510 -3.201 1.00 0.00 H new ATOM 0 HE ARG A 50 8.530 13.252 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.873 10.790 -4.727 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.918 11.999 -5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.912 14.690 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.397 14.113 -5.467 1.00 0.00 H new ATOM 772 N ALA A 51 7.292 5.928 -4.945 1.00 0.00 N ATOM 773 CA ALA A 51 7.306 4.543 -4.469 1.00 0.00 C ATOM 774 C ALA A 51 8.050 4.433 -3.120 1.00 0.00 C ATOM 775 O ALA A 51 9.266 4.219 -3.079 1.00 0.00 O ATOM 776 CB ALA A 51 7.918 3.662 -5.568 1.00 0.00 C ATOM 0 H ALA A 51 8.112 6.165 -5.503 1.00 0.00 H new ATOM 0 HA ALA A 51 6.292 4.193 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.938 2.625 -5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.317 3.740 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.934 3.995 -5.778 1.00 0.00 H new ATOM 782 N LEU A 52 7.325 4.609 -2.010 1.00 0.00 N ATOM 783 CA LEU A 52 7.869 4.495 -0.647 1.00 0.00 C ATOM 784 C LEU A 52 8.326 3.054 -0.334 1.00 0.00 C ATOM 785 O LEU A 52 7.733 2.083 -0.812 1.00 0.00 O ATOM 786 CB LEU A 52 6.828 4.973 0.385 1.00 0.00 C ATOM 787 CG LEU A 52 6.798 6.494 0.635 1.00 0.00 C ATOM 788 CD1 LEU A 52 6.443 7.315 -0.608 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.779 6.799 1.733 1.00 0.00 C ATOM 0 H LEU A 52 6.331 4.838 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 52 8.748 5.136 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.839 4.657 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.022 4.470 1.332 1.00 0.00 H new ATOM 0 HG LEU A 52 7.807 6.782 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.441 8.375 -0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.180 7.129 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.455 7.026 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.752 7.873 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.792 6.459 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.065 6.282 2.649 1.00 0.00 H new ATOM 801 N LYS A 53 9.375 2.927 0.492 1.00 0.00 N ATOM 802 CA LYS A 53 9.952 1.639 0.935 1.00 0.00 C ATOM 803 C LYS A 53 10.755 1.746 2.239 1.00 0.00 C ATOM 804 O LYS A 53 10.458 1.036 3.198 1.00 0.00 O ATOM 805 CB LYS A 53 10.766 1.004 -0.219 1.00 0.00 C ATOM 806 CG LYS A 53 11.927 1.861 -0.764 1.00 0.00 C ATOM 807 CD LYS A 53 12.450 1.377 -2.125 1.00 0.00 C ATOM 808 CE LYS A 53 11.463 1.708 -3.256 1.00 0.00 C ATOM 809 NZ LYS A 53 12.009 1.331 -4.585 1.00 0.00 N ATOM 0 H LYS A 53 9.861 3.734 0.883 1.00 0.00 H new ATOM 0 HA LYS A 53 9.125 0.973 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.171 0.053 0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.085 0.781 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.594 2.895 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.745 1.853 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.413 1.843 -2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.618 0.301 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.523 1.182 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.238 2.775 -3.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.317 1.568 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.893 1.852 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.200 0.309 -4.605 1.00 0.00 H new ATOM 823 N ASP A 54 11.696 2.688 2.324 1.00 0.00 N ATOM 824 CA ASP A 54 12.572 2.923 3.491 1.00 0.00 C ATOM 825 C ASP A 54 11.923 3.821 4.573 1.00 0.00 C ATOM 826 O ASP A 54 12.562 4.704 5.151 1.00 0.00 O ATOM 827 CB ASP A 54 13.944 3.448 3.020 1.00 0.00 C ATOM 828 CG ASP A 54 14.721 2.486 2.101 1.00 0.00 C ATOM 829 OD1 ASP A 54 14.534 1.248 2.186 1.00 0.00 O ATOM 830 OD2 ASP A 54 15.563 2.972 1.310 1.00 0.00 O ATOM 0 H ASP A 54 11.882 3.336 1.558 1.00 0.00 H new ATOM 0 HA ASP A 54 12.726 1.966 3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.796 4.391 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.555 3.665 3.896 1.00 0.00 H new ATOM 835 N THR A 55 10.626 3.620 4.835 1.00 0.00 N ATOM 836 CA THR A 55 9.839 4.404 5.813 1.00 0.00 C ATOM 837 C THR A 55 10.177 4.050 7.271 1.00 0.00 C ATOM 838 O THR A 55 10.059 4.896 8.156 1.00 0.00 O ATOM 839 CB THR A 55 8.337 4.205 5.530 1.00 0.00 C ATOM 840 OG1 THR A 55 8.028 4.722 4.251 1.00 0.00 O ATOM 841 CG2 THR A 55 7.394 4.903 6.510 1.00 0.00 C ATOM 0 H THR A 55 10.078 2.897 4.369 1.00 0.00 H new ATOM 0 HA THR A 55 10.102 5.455 5.691 1.00 0.00 H new ATOM 0 HB THR A 55 8.180 3.130 5.620 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.074 4.595 4.069 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.361 4.703 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.573 4.527 7.517 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.575 5.978 6.486 1.00 0.00 H new ATOM 849 N GLU A 56 10.634 2.816 7.523 1.00 0.00 N ATOM 850 CA GLU A 56 10.911 2.198 8.837 1.00 0.00 C ATOM 851 C GLU A 56 9.683 2.061 9.758 1.00 0.00 C ATOM 852 O GLU A 56 9.290 0.937 10.066 1.00 0.00 O ATOM 853 CB GLU A 56 12.111 2.847 9.555 1.00 0.00 C ATOM 854 CG GLU A 56 13.413 2.749 8.741 1.00 0.00 C ATOM 855 CD GLU A 56 14.655 3.300 9.478 1.00 0.00 C ATOM 856 OE1 GLU A 56 14.634 3.481 10.720 1.00 0.00 O ATOM 857 OE2 GLU A 56 15.689 3.543 8.807 1.00 0.00 O ATOM 0 H GLU A 56 10.837 2.171 6.759 1.00 0.00 H new ATOM 0 HA GLU A 56 11.192 1.172 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.888 3.896 9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.255 2.365 10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.590 1.705 8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.287 3.293 7.805 1.00 0.00 H new ATOM 864 N THR A 57 9.043 3.166 10.157 1.00 0.00 N ATOM 865 CA THR A 57 7.746 3.191 10.864 1.00 0.00 C ATOM 866 C THR A 57 6.931 4.429 10.487 1.00 0.00 C ATOM 867 O THR A 57 7.475 5.503 10.209 1.00 0.00 O ATOM 868 CB THR A 57 7.865 3.158 12.403 1.00 0.00 C ATOM 869 OG1 THR A 57 8.471 4.331 12.901 1.00 0.00 O ATOM 870 CG2 THR A 57 8.616 1.958 12.977 1.00 0.00 C ATOM 0 H THR A 57 9.421 4.099 9.994 1.00 0.00 H new ATOM 0 HA THR A 57 7.246 2.277 10.542 1.00 0.00 H new ATOM 0 HB THR A 57 6.829 3.076 12.732 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.530 4.279 13.878 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.643 2.031 14.064 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.108 1.038 12.688 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.635 1.947 12.589 1.00 0.00 H new ATOM 878 N LEU A 58 5.603 4.303 10.533 1.00 0.00 N ATOM 879 CA LEU A 58 4.687 5.446 10.467 1.00 0.00 C ATOM 880 C LEU A 58 4.716 6.302 11.755 1.00 0.00 C ATOM 881 O LEU A 58 4.360 7.481 11.717 1.00 0.00 O ATOM 882 CB LEU A 58 3.273 4.924 10.155 1.00 0.00 C ATOM 883 CG LEU A 58 3.103 4.237 8.786 1.00 0.00 C ATOM 884 CD1 LEU A 58 1.665 3.734 8.647 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.391 5.177 7.612 1.00 0.00 C ATOM 0 H LEU A 58 5.130 3.403 10.617 1.00 0.00 H new ATOM 0 HA LEU A 58 5.012 6.114 9.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.986 4.218 10.934 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.576 5.760 10.211 1.00 0.00 H new ATOM 0 HG LEU A 58 3.822 3.418 8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.542 3.247 7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.451 3.020 9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.976 4.576 8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.256 4.639 6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.706 6.024 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.417 5.538 7.678 1.00 0.00 H new ATOM 897 N GLU A 59 5.180 5.739 12.876 1.00 0.00 N ATOM 898 CA GLU A 59 5.363 6.423 14.164 1.00 0.00 C ATOM 899 C GLU A 59 6.402 7.554 14.083 1.00 0.00 C ATOM 900 O GLU A 59 6.094 8.702 14.409 1.00 0.00 O ATOM 901 CB GLU A 59 5.774 5.406 15.250 1.00 0.00 C ATOM 902 CG GLU A 59 5.648 6.011 16.656 1.00 0.00 C ATOM 903 CD GLU A 59 5.996 5.006 17.771 1.00 0.00 C ATOM 904 OE1 GLU A 59 7.104 4.414 17.750 1.00 0.00 O ATOM 905 OE2 GLU A 59 5.178 4.833 18.708 1.00 0.00 O ATOM 0 H GLU A 59 5.449 4.756 12.914 1.00 0.00 H new ATOM 0 HA GLU A 59 4.408 6.877 14.427 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.146 4.518 15.176 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.802 5.085 15.081 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.306 6.876 16.735 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.629 6.371 16.802 1.00 0.00 H new ATOM 912 N SER A 60 7.618 7.251 13.613 1.00 0.00 N ATOM 913 CA SER A 60 8.703 8.236 13.474 1.00 0.00 C ATOM 914 C SER A 60 8.437 9.267 12.370 1.00 0.00 C ATOM 915 O SER A 60 8.896 10.408 12.470 1.00 0.00 O ATOM 916 CB SER A 60 10.037 7.532 13.196 1.00 0.00 C ATOM 917 OG SER A 60 10.402 6.707 14.295 1.00 0.00 O ATOM 0 H SER A 60 7.881 6.311 13.316 1.00 0.00 H new ATOM 0 HA SER A 60 8.751 8.772 14.422 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.955 6.929 12.292 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.816 8.273 13.015 1.00 0.00 H new ATOM 0 HG SER A 60 11.254 6.263 14.102 1.00 0.00 H new ATOM 923 N LEU A 61 7.675 8.895 11.332 1.00 0.00 N ATOM 924 CA LEU A 61 7.232 9.807 10.271 1.00 0.00 C ATOM 925 C LEU A 61 6.102 10.757 10.731 1.00 0.00 C ATOM 926 O LEU A 61 5.984 11.870 10.213 1.00 0.00 O ATOM 927 CB LEU A 61 6.816 8.957 9.055 1.00 0.00 C ATOM 928 CG LEU A 61 6.419 9.761 7.800 1.00 0.00 C ATOM 929 CD1 LEU A 61 7.562 10.638 7.280 1.00 0.00 C ATOM 930 CD2 LEU A 61 6.016 8.801 6.680 1.00 0.00 C ATOM 0 H LEU A 61 7.345 7.938 11.205 1.00 0.00 H new ATOM 0 HA LEU A 61 8.056 10.466 9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.641 8.293 8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.976 8.325 9.343 1.00 0.00 H new ATOM 0 HG LEU A 61 5.590 10.407 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.230 11.182 6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.857 11.347 8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.414 10.009 7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.736 9.372 5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.856 8.148 6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.169 8.197 7.005 1.00 0.00 H new ATOM 942 N GLY A 62 5.287 10.341 11.706 1.00 0.00 N ATOM 943 CA GLY A 62 4.146 11.109 12.216 1.00 0.00 C ATOM 944 C GLY A 62 2.949 11.113 11.258 1.00 0.00 C ATOM 945 O GLY A 62 2.475 12.180 10.861 1.00 0.00 O ATOM 0 H GLY A 62 5.405 9.442 12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.835 10.694 13.175 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.460 12.136 12.400 1.00 0.00 H new ATOM 949 N VAL A 63 2.483 9.923 10.854 1.00 0.00 N ATOM 950 CA VAL A 63 1.336 9.736 9.939 1.00 0.00 C ATOM 951 C VAL A 63 0.046 10.408 10.449 1.00 0.00 C ATOM 952 O VAL A 63 -0.160 10.549 11.659 1.00 0.00 O ATOM 953 CB VAL A 63 1.131 8.234 9.647 1.00 0.00 C ATOM 954 CG1 VAL A 63 0.532 7.461 10.832 1.00 0.00 C ATOM 955 CG2 VAL A 63 0.247 7.981 8.423 1.00 0.00 C ATOM 0 H VAL A 63 2.898 9.042 11.158 1.00 0.00 H new ATOM 0 HA VAL A 63 1.575 10.241 9.003 1.00 0.00 H new ATOM 0 HB VAL A 63 2.139 7.866 9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.414 6.412 10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.197 7.540 11.692 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.441 7.882 11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.139 6.908 8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.735 8.425 8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.707 8.430 7.543 1.00 0.00 H new ATOM 965 N ALA A 64 -0.838 10.808 9.528 1.00 0.00 N ATOM 966 CA ALA A 64 -2.098 11.496 9.816 1.00 0.00 C ATOM 967 C ALA A 64 -3.303 10.879 9.076 1.00 0.00 C ATOM 968 O ALA A 64 -3.160 10.155 8.088 1.00 0.00 O ATOM 969 CB ALA A 64 -1.920 12.986 9.493 1.00 0.00 C ATOM 0 H ALA A 64 -0.690 10.656 8.530 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.331 11.376 10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.849 13.517 9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.121 13.399 10.108 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.664 13.102 8.440 1.00 0.00 H new ATOM 975 N ASP A 65 -4.508 11.177 9.569 1.00 0.00 N ATOM 976 CA ASP A 65 -5.786 10.733 9.000 1.00 0.00 C ATOM 977 C ASP A 65 -5.994 11.244 7.557 1.00 0.00 C ATOM 978 O ASP A 65 -5.873 12.444 7.290 1.00 0.00 O ATOM 979 CB ASP A 65 -6.908 11.218 9.937 1.00 0.00 C ATOM 980 CG ASP A 65 -8.335 10.842 9.498 1.00 0.00 C ATOM 981 OD1 ASP A 65 -8.514 9.885 8.712 1.00 0.00 O ATOM 982 OD2 ASP A 65 -9.294 11.497 9.975 1.00 0.00 O ATOM 0 H ASP A 65 -4.626 11.753 10.403 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.795 9.645 8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.731 10.809 10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.845 12.303 10.022 1.00 0.00 H new ATOM 987 N GLY A 66 -6.345 10.340 6.637 1.00 0.00 N ATOM 988 CA GLY A 66 -6.754 10.665 5.263 1.00 0.00 C ATOM 989 C GLY A 66 -5.656 10.573 4.195 1.00 0.00 C ATOM 990 O GLY A 66 -5.920 10.894 3.034 1.00 0.00 O ATOM 0 H GLY A 66 -6.353 9.338 6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.566 9.996 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.157 11.678 5.255 1.00 0.00 H new ATOM 994 N ASP A 67 -4.448 10.117 4.540 1.00 0.00 N ATOM 995 CA ASP A 67 -3.416 9.770 3.549 1.00 0.00 C ATOM 996 C ASP A 67 -3.871 8.573 2.685 1.00 0.00 C ATOM 997 O ASP A 67 -4.464 7.617 3.196 1.00 0.00 O ATOM 998 CB ASP A 67 -2.062 9.496 4.228 1.00 0.00 C ATOM 999 CG ASP A 67 -1.452 10.705 4.974 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.881 11.866 4.760 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.495 10.493 5.758 1.00 0.00 O ATOM 0 H ASP A 67 -4.156 9.977 5.507 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.278 10.625 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.186 8.676 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.354 9.160 3.471 1.00 0.00 H new ATOM 1006 N LYS A 68 -3.627 8.625 1.368 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.224 7.698 0.388 1.00 0.00 C ATOM 1008 C LYS A 68 -3.205 7.125 -0.597 1.00 0.00 C ATOM 1009 O LYS A 68 -2.370 7.859 -1.124 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.434 8.356 -0.302 1.00 0.00 C ATOM 1011 CG LYS A 68 -5.099 9.608 -1.131 1.00 0.00 C ATOM 1012 CD LYS A 68 -6.377 10.257 -1.678 1.00 0.00 C ATOM 1013 CE LYS A 68 -6.023 11.516 -2.480 1.00 0.00 C ATOM 1014 NZ LYS A 68 -7.239 12.192 -3.004 1.00 0.00 N ATOM 0 H LYS A 68 -3.006 9.316 0.947 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.589 6.828 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.907 7.621 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.166 8.626 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.558 10.325 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.441 9.338 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.911 9.550 -2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.045 10.515 -0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.467 12.207 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.369 11.247 -3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.962 13.039 -3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.757 11.541 -3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.851 12.470 -2.210 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.263 5.815 -0.831 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.220 5.041 -1.519 1.00 0.00 C ATOM 1030 C PHE A 69 -2.786 4.285 -2.725 1.00 0.00 C ATOM 1031 O PHE A 69 -3.840 3.657 -2.616 1.00 0.00 O ATOM 1032 CB PHE A 69 -1.561 4.046 -0.544 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.181 4.549 0.844 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -0.637 5.834 1.030 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.345 3.703 1.958 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.276 6.278 2.314 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -0.976 4.141 3.244 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.444 5.430 3.423 1.00 0.00 C ATOM 0 H PHE A 69 -4.056 5.243 -0.541 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.471 5.746 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.239 3.202 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.658 3.662 -1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.496 6.484 0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.756 2.713 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.130 7.270 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.102 3.486 4.094 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.165 5.768 4.410 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.086 4.291 -3.861 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.474 3.534 -5.066 1.00 0.00 C ATOM 1050 C VAL A 70 -1.647 2.253 -5.163 1.00 0.00 C ATOM 1051 O VAL A 70 -0.423 2.299 -5.023 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.351 4.387 -6.344 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -2.796 3.613 -7.593 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.217 5.653 -6.253 1.00 0.00 C ATOM 0 H VAL A 70 -1.225 4.825 -3.978 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.526 3.263 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.297 4.651 -6.428 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.694 4.250 -8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.173 2.727 -7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.838 3.312 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.109 6.234 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.262 5.371 -6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.895 6.254 -5.402 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.298 1.113 -5.412 1.00 0.00 N ATOM 1065 CA LEU A 71 -1.642 -0.193 -5.530 1.00 0.00 C ATOM 1066 C LEU A 71 -1.905 -0.798 -6.917 1.00 0.00 C ATOM 1067 O LEU A 71 -2.998 -1.285 -7.213 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.048 -1.072 -4.330 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.125 -2.288 -4.113 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -1.266 -2.798 -2.680 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -1.444 -3.454 -5.051 1.00 0.00 C ATOM 0 H LEU A 71 -3.309 1.070 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.557 -0.103 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.048 -0.461 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.069 -1.424 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.112 -1.942 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.611 -3.657 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.988 -2.007 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.299 -3.094 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.761 -4.280 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.470 -3.783 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.328 -3.131 -6.086 1.00 0.00 H new ATOM 1083 N ILE A 72 -0.890 -0.728 -7.775 1.00 0.00 N ATOM 1084 CA ILE A 72 -0.905 -1.168 -9.173 1.00 0.00 C ATOM 1085 C ILE A 72 -0.554 -2.659 -9.254 1.00 0.00 C ATOM 1086 O ILE A 72 0.332 -3.131 -8.539 1.00 0.00 O ATOM 1087 CB ILE A 72 0.068 -0.299 -10.013 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.274 1.212 -9.932 1.00 0.00 C ATOM 1089 CG2 ILE A 72 0.056 -0.729 -11.493 1.00 0.00 C ATOM 1090 CD1 ILE A 72 0.528 1.972 -8.864 1.00 0.00 C ATOM 0 H ILE A 72 0.014 -0.343 -7.502 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.905 -1.039 -9.588 1.00 0.00 H new ATOM 0 HB ILE A 72 1.059 -0.455 -9.588 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.091 1.669 -10.904 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.338 1.324 -9.722 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.746 -0.104 -12.059 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.363 -1.772 -11.571 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.950 -0.616 -11.897 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.234 3.022 -8.867 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.327 1.542 -7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.593 1.893 -9.083 1.00 0.00 H new ATOM 1102 N THR A 73 -1.212 -3.405 -10.144 1.00 0.00 N ATOM 1103 CA THR A 73 -0.934 -4.830 -10.396 1.00 0.00 C ATOM 1104 C THR A 73 -1.168 -5.208 -11.866 1.00 0.00 C ATOM 1105 O THR A 73 -1.895 -4.507 -12.578 1.00 0.00 O ATOM 1106 CB THR A 73 -1.723 -5.715 -9.416 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.316 -7.059 -9.514 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.235 -5.701 -9.650 1.00 0.00 C ATOM 0 H THR A 73 -1.966 -3.034 -10.722 1.00 0.00 H new ATOM 0 HA THR A 73 0.125 -5.011 -10.211 1.00 0.00 H new ATOM 0 HB THR A 73 -1.510 -5.292 -8.434 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.376 -7.097 -9.788 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.722 -6.348 -8.921 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.611 -4.684 -9.541 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.451 -6.061 -10.656 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.525 -6.283 -12.342 1.00 0.00 N ATOM 1117 CA ARG A 74 -0.481 -6.684 -13.762 1.00 0.00 C ATOM 1118 C ARG A 74 -0.595 -8.203 -13.949 1.00 0.00 C ATOM 1119 O ARG A 74 -0.067 -8.979 -13.152 1.00 0.00 O ATOM 1120 CB ARG A 74 0.793 -6.087 -14.392 1.00 0.00 C ATOM 1121 CG ARG A 74 0.892 -6.302 -15.912 1.00 0.00 C ATOM 1122 CD ARG A 74 1.943 -5.382 -16.550 1.00 0.00 C ATOM 1123 NE ARG A 74 1.488 -3.975 -16.576 1.00 0.00 N ATOM 1124 CZ ARG A 74 2.212 -2.904 -16.851 1.00 0.00 C ATOM 1125 NH1 ARG A 74 3.480 -2.976 -17.143 1.00 0.00 N ATOM 1126 NH2 ARG A 74 1.665 -1.722 -16.834 1.00 0.00 N ATOM 0 H ARG A 74 -0.005 -6.918 -11.736 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.352 -6.285 -14.282 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.824 -5.018 -14.183 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.666 -6.531 -13.914 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.147 -7.342 -16.116 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.080 -6.116 -16.370 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.877 -5.453 -15.992 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.152 -5.717 -17.566 1.00 0.00 H new ATOM 0 HE ARG A 74 0.505 -3.813 -16.357 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.948 -3.882 -17.165 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.005 -2.126 -17.350 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.675 -1.621 -16.608 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.226 -0.897 -17.047 1.00 0.00 H new ATOM 1140 N THR A 75 -1.280 -8.613 -15.017 1.00 0.00 N ATOM 1141 CA THR A 75 -1.619 -10.011 -15.357 1.00 0.00 C ATOM 1142 C THR A 75 -1.513 -10.272 -16.866 1.00 0.00 C ATOM 1143 O THR A 75 -1.486 -9.337 -17.672 1.00 0.00 O ATOM 1144 CB THR A 75 -3.038 -10.376 -14.865 1.00 0.00 C ATOM 1145 OG1 THR A 75 -4.017 -9.489 -15.374 1.00 0.00 O ATOM 1146 CG2 THR A 75 -3.163 -10.341 -13.342 1.00 0.00 C ATOM 0 H THR A 75 -1.635 -7.952 -15.708 1.00 0.00 H new ATOM 0 HA THR A 75 -0.892 -10.644 -14.847 1.00 0.00 H new ATOM 0 HB THR A 75 -3.204 -11.390 -15.230 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.901 -9.752 -15.043 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.180 -10.606 -13.054 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.465 -11.054 -12.903 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.933 -9.339 -12.981 1.00 0.00 H new ATOM 1154 N VAL A 76 -1.450 -11.549 -17.261 1.00 0.00 N ATOM 1155 CA VAL A 76 -1.403 -11.983 -18.673 1.00 0.00 C ATOM 1156 C VAL A 76 -2.708 -11.688 -19.436 1.00 0.00 C ATOM 1157 O VAL A 76 -3.787 -11.595 -18.839 1.00 0.00 O ATOM 1158 CB VAL A 76 -1.034 -13.477 -18.799 1.00 0.00 C ATOM 1159 CG1 VAL A 76 0.362 -13.754 -18.226 1.00 0.00 C ATOM 1160 CG2 VAL A 76 -2.041 -14.424 -18.131 1.00 0.00 C ATOM 0 H VAL A 76 -1.430 -12.327 -16.602 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.616 -11.390 -19.138 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.052 -13.682 -19.869 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.594 -14.814 -18.329 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.102 -13.166 -18.770 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.384 -13.479 -17.172 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.713 -15.455 -18.262 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.104 -14.196 -17.067 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.022 -14.294 -18.589 1.00 0.00 H new ATOM 1170 N GLY A 77 -2.606 -11.551 -20.766 1.00 0.00 N ATOM 1171 CA GLY A 77 -3.739 -11.359 -21.689 1.00 0.00 C ATOM 1172 C GLY A 77 -4.579 -12.624 -21.900 1.00 0.00 C ATOM 1173 O GLY A 77 -3.991 -13.682 -22.221 1.00 0.00 O ATOM 1174 OXT GLY A 77 -5.821 -12.542 -21.770 1.00 0.00 O ATOM 0 H GLY A 77 -1.706 -11.571 -21.246 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.381 -10.567 -21.304 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.359 -11.020 -22.653 1.00 0.00 H new TER 1178 GLY A 77