USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 53 ASN : amide:sc= 0.978 K(o=1.4,f=-2.5!) USER MOD Set 1.2: A 55 SER OG : rot 21:sc= 0.463 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 34 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.2) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= 0.134 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.202 K(o=0.2,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.392 9.855 3.013 1.00 0.00 N ATOM 2 CA GLY A 1 10.597 8.662 3.377 1.00 0.00 C ATOM 3 C GLY A 1 10.493 7.707 2.201 1.00 0.00 C ATOM 4 O GLY A 1 10.050 8.094 1.120 1.00 0.00 O ATOM 0 H1 GLY A 1 11.451 10.495 3.830 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.350 9.562 2.733 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.935 10.348 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.060 8.155 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.600 8.966 3.694 1.00 0.00 H new ATOM 10 N SER A 2 10.908 6.453 2.400 1.00 0.00 N ATOM 11 CA SER A 2 10.962 5.402 1.364 1.00 0.00 C ATOM 12 C SER A 2 10.732 4.013 1.976 1.00 0.00 C ATOM 13 O SER A 2 10.816 3.839 3.197 1.00 0.00 O ATOM 14 CB SER A 2 12.340 5.403 0.674 1.00 0.00 C ATOM 15 OG SER A 2 12.681 6.675 0.137 1.00 0.00 O ATOM 0 H SER A 2 11.227 6.125 3.312 1.00 0.00 H new ATOM 0 HA SER A 2 10.176 5.616 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.102 5.100 1.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.342 4.662 -0.126 1.00 0.00 H new ATOM 0 HG SER A 2 13.563 6.625 -0.288 1.00 0.00 H new ATOM 21 N GLU A 3 10.481 3.001 1.142 1.00 0.00 N ATOM 22 CA GLU A 3 10.512 1.592 1.571 1.00 0.00 C ATOM 23 C GLU A 3 11.911 1.181 2.077 1.00 0.00 C ATOM 24 O GLU A 3 12.937 1.694 1.615 1.00 0.00 O ATOM 25 CB GLU A 3 10.077 0.669 0.419 1.00 0.00 C ATOM 26 CG GLU A 3 8.588 0.815 0.084 1.00 0.00 C ATOM 27 CD GLU A 3 8.171 -0.177 -1.018 1.00 0.00 C ATOM 28 OE1 GLU A 3 7.815 -1.339 -0.696 1.00 0.00 O1- ATOM 29 OE2 GLU A 3 8.189 0.195 -2.218 1.00 0.00 O ATOM 0 H GLU A 3 10.252 3.129 0.156 1.00 0.00 H new ATOM 0 HA GLU A 3 9.811 1.487 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.670 0.895 -0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.286 -0.366 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 3 7.991 0.641 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.383 1.834 -0.243 1.00 0.00 H new ATOM 36 N PHE A 4 11.953 0.236 3.021 1.00 0.00 N ATOM 37 CA PHE A 4 13.192 -0.359 3.539 1.00 0.00 C ATOM 38 C PHE A 4 13.962 -1.162 2.469 1.00 0.00 C ATOM 39 O PHE A 4 13.400 -1.595 1.457 1.00 0.00 O ATOM 40 CB PHE A 4 12.859 -1.220 4.772 1.00 0.00 C ATOM 41 CG PHE A 4 11.796 -2.284 4.550 1.00 0.00 C ATOM 42 CD1 PHE A 4 12.136 -3.522 3.972 1.00 0.00 C ATOM 43 CD2 PHE A 4 10.458 -2.033 4.917 1.00 0.00 C ATOM 44 CE1 PHE A 4 11.144 -4.495 3.748 1.00 0.00 C ATOM 45 CE2 PHE A 4 9.467 -3.005 4.693 1.00 0.00 C ATOM 46 CZ PHE A 4 9.810 -4.236 4.106 1.00 0.00 C ATOM 0 H PHE A 4 11.112 -0.145 3.455 1.00 0.00 H new ATOM 0 HA PHE A 4 13.863 0.448 3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.773 -1.707 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.530 -0.562 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 4 13.161 -3.726 3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.193 -1.090 5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.408 -5.442 3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.443 -2.806 4.972 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.049 -4.982 3.930 1.00 0.00 H new ATOM 56 N THR A 5 15.255 -1.393 2.714 1.00 0.00 N ATOM 57 CA THR A 5 16.191 -2.091 1.808 1.00 0.00 C ATOM 58 C THR A 5 17.136 -3.026 2.577 1.00 0.00 C ATOM 59 O THR A 5 17.195 -3.003 3.812 1.00 0.00 O ATOM 60 CB THR A 5 17.025 -1.091 0.978 1.00 0.00 C ATOM 61 OG1 THR A 5 17.788 -0.256 1.826 1.00 0.00 O ATOM 62 CG2 THR A 5 16.173 -0.197 0.075 1.00 0.00 C ATOM 0 H THR A 5 15.702 -1.090 3.579 1.00 0.00 H new ATOM 0 HA THR A 5 15.579 -2.690 1.133 1.00 0.00 H new ATOM 0 HB THR A 5 17.670 -1.701 0.345 1.00 0.00 H new ATOM 0 HG1 THR A 5 18.312 0.370 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.820 0.482 -0.480 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.611 -0.816 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.479 0.381 0.685 1.00 0.00 H new ATOM 70 N SER A 6 17.886 -3.864 1.854 1.00 0.00 N ATOM 71 CA SER A 6 18.850 -4.830 2.414 1.00 0.00 C ATOM 72 C SER A 6 20.064 -4.203 3.126 1.00 0.00 C ATOM 73 O SER A 6 20.691 -4.874 3.948 1.00 0.00 O ATOM 74 CB SER A 6 19.336 -5.763 1.298 1.00 0.00 C ATOM 75 OG SER A 6 19.846 -5.014 0.203 1.00 0.00 O ATOM 0 H SER A 6 17.842 -3.894 0.835 1.00 0.00 H new ATOM 0 HA SER A 6 18.309 -5.374 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.110 -6.426 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.514 -6.395 0.961 1.00 0.00 H new ATOM 0 HG SER A 6 20.153 -5.627 -0.498 1.00 0.00 H new ATOM 81 N SER A 7 20.378 -2.928 2.846 1.00 0.00 N ATOM 82 CA SER A 7 21.495 -2.143 3.410 1.00 0.00 C ATOM 83 C SER A 7 22.808 -2.944 3.623 1.00 0.00 C ATOM 84 O SER A 7 23.258 -3.125 4.762 1.00 0.00 O ATOM 85 CB SER A 7 21.019 -1.412 4.674 1.00 0.00 C ATOM 86 OG SER A 7 21.896 -0.340 4.993 1.00 0.00 O ATOM 0 H SER A 7 19.829 -2.383 2.181 1.00 0.00 H new ATOM 0 HA SER A 7 21.780 -1.404 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 7 20.010 -1.030 4.521 1.00 0.00 H new ATOM 0 HB3 SER A 7 20.972 -2.111 5.509 1.00 0.00 H new ATOM 0 HG SER A 7 21.576 0.115 5.800 1.00 0.00 H new ATOM 92 N PRO A 8 23.414 -3.495 2.548 1.00 0.00 N ATOM 93 CA PRO A 8 24.572 -4.387 2.642 1.00 0.00 C ATOM 94 C PRO A 8 25.828 -3.656 3.152 1.00 0.00 C ATOM 95 O PRO A 8 26.226 -2.620 2.608 1.00 0.00 O ATOM 96 CB PRO A 8 24.765 -4.954 1.230 1.00 0.00 C ATOM 97 CG PRO A 8 24.183 -3.872 0.320 1.00 0.00 C ATOM 98 CD PRO A 8 23.036 -3.302 1.153 1.00 0.00 C ATOM 0 HA PRO A 8 24.404 -5.181 3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 8 25.817 -5.136 1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 8 24.245 -5.904 1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 8 24.922 -3.109 0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 8 23.829 -4.286 -0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 8 22.883 -2.245 0.933 1.00 0.00 H new ATOM 0 HD3 PRO A 8 22.100 -3.813 0.929 1.00 0.00 H new ATOM 106 N ARG A 9 26.459 -4.209 4.198 1.00 0.00 N ATOM 107 CA ARG A 9 27.663 -3.672 4.867 1.00 0.00 C ATOM 108 C ARG A 9 28.403 -4.774 5.645 1.00 0.00 C ATOM 109 O ARG A 9 27.816 -5.814 5.956 1.00 0.00 O ATOM 110 CB ARG A 9 27.221 -2.513 5.790 1.00 0.00 C ATOM 111 CG ARG A 9 28.383 -1.641 6.299 1.00 0.00 C ATOM 112 CD ARG A 9 27.899 -0.297 6.864 1.00 0.00 C ATOM 113 NE ARG A 9 27.343 0.585 5.814 1.00 0.00 N ATOM 114 CZ ARG A 9 28.012 1.337 4.955 1.00 0.00 C ATOM 115 NH1 ARG A 9 29.314 1.418 4.963 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 27.376 2.030 4.054 1.00 0.00 N ATOM 0 H ARG A 9 26.135 -5.078 4.622 1.00 0.00 H new ATOM 0 HA ARG A 9 28.369 -3.296 4.126 1.00 0.00 H new ATOM 0 HB2 ARG A 9 26.515 -1.881 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 9 26.688 -2.927 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 9 28.929 -2.182 7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 9 29.082 -1.459 5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 9 27.139 -0.477 7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 9 28.730 0.208 7.357 1.00 0.00 H new ATOM 0 HE ARG A 9 26.326 0.617 5.744 1.00 0.00 H new ATOM 0 HH11 ARG A 9 29.854 0.890 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 9 29.792 2.009 4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 9 26.358 1.995 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 9 27.896 2.608 3.394 1.00 0.00 H new ATOM 130 N GLY A 10 29.680 -4.549 5.967 1.00 0.00 N ATOM 131 CA GLY A 10 30.482 -5.439 6.820 1.00 0.00 C ATOM 132 C GLY A 10 29.961 -5.549 8.262 1.00 0.00 C ATOM 133 O GLY A 10 29.219 -4.688 8.744 1.00 0.00 O ATOM 0 H GLY A 10 30.196 -3.732 5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.503 -6.433 6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.510 -5.078 6.841 1.00 0.00 H new ATOM 137 N ASP A 11 30.355 -6.614 8.965 1.00 0.00 N ATOM 138 CA ASP A 11 29.941 -6.881 10.350 1.00 0.00 C ATOM 139 C ASP A 11 30.594 -5.910 11.359 1.00 0.00 C ATOM 140 O ASP A 11 31.807 -5.676 11.312 1.00 0.00 O ATOM 141 CB ASP A 11 30.275 -8.342 10.692 1.00 0.00 C ATOM 142 CG ASP A 11 29.759 -8.740 12.085 1.00 0.00 C ATOM 143 OD1 ASP A 11 28.541 -8.587 12.341 1.00 0.00 O ATOM 144 OD2 ASP A 11 30.566 -9.201 12.926 1.00 0.00 O1- ATOM 0 H ASP A 11 30.979 -7.326 8.585 1.00 0.00 H new ATOM 0 HA ASP A 11 28.866 -6.717 10.428 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.836 -8.999 9.941 1.00 0.00 H new ATOM 0 HB3 ASP A 11 31.355 -8.486 10.650 1.00 0.00 H new ATOM 149 N LYS A 12 29.793 -5.365 12.289 1.00 0.00 N ATOM 150 CA LYS A 12 30.235 -4.408 13.332 1.00 0.00 C ATOM 151 C LYS A 12 29.568 -4.620 14.701 1.00 0.00 C ATOM 152 O LYS A 12 30.230 -4.432 15.722 1.00 0.00 O ATOM 153 CB LYS A 12 30.011 -2.971 12.812 1.00 0.00 C ATOM 154 CG LYS A 12 30.424 -1.845 13.778 1.00 0.00 C ATOM 155 CD LYS A 12 31.922 -1.852 14.131 1.00 0.00 C ATOM 156 CE LYS A 12 32.315 -0.693 15.060 1.00 0.00 C ATOM 157 NZ LYS A 12 31.797 -0.871 16.444 1.00 0.00 N1+ ATOM 0 H LYS A 12 28.797 -5.578 12.343 1.00 0.00 H new ATOM 0 HA LYS A 12 31.295 -4.586 13.513 1.00 0.00 H new ATOM 0 HB2 LYS A 12 30.565 -2.849 11.881 1.00 0.00 H new ATOM 0 HB3 LYS A 12 28.955 -2.851 12.572 1.00 0.00 H new ATOM 0 HG2 LYS A 12 30.169 -0.884 13.332 1.00 0.00 H new ATOM 0 HG3 LYS A 12 29.843 -1.934 14.696 1.00 0.00 H new ATOM 0 HD2 LYS A 12 32.174 -2.798 14.610 1.00 0.00 H new ATOM 0 HD3 LYS A 12 32.508 -1.793 13.214 1.00 0.00 H new ATOM 0 HE2 LYS A 12 33.401 -0.608 15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 12 31.934 0.242 14.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 32.089 -0.063 17.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 30.759 -0.925 16.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 32.181 -1.749 16.848 1.00 0.00 H new ATOM 171 N ALA A 13 28.293 -5.028 14.729 1.00 0.00 N ATOM 172 CA ALA A 13 27.518 -5.353 15.936 1.00 0.00 C ATOM 173 C ALA A 13 27.652 -4.331 17.099 1.00 0.00 C ATOM 174 O ALA A 13 27.887 -4.697 18.253 1.00 0.00 O ATOM 175 CB ALA A 13 27.826 -6.808 16.325 1.00 0.00 C ATOM 0 H ALA A 13 27.749 -5.146 13.875 1.00 0.00 H new ATOM 0 HA ALA A 13 26.457 -5.265 15.700 1.00 0.00 H new ATOM 0 HB1 ALA A 13 27.262 -7.073 17.219 1.00 0.00 H new ATOM 0 HB2 ALA A 13 27.543 -7.471 15.508 1.00 0.00 H new ATOM 0 HB3 ALA A 13 28.892 -6.913 16.524 1.00 0.00 H new ATOM 181 N ALA A 14 27.503 -3.035 16.793 1.00 0.00 N ATOM 182 CA ALA A 14 27.670 -1.911 17.732 1.00 0.00 C ATOM 183 C ALA A 14 26.629 -1.815 18.878 1.00 0.00 C ATOM 184 O ALA A 14 26.694 -0.879 19.676 1.00 0.00 O ATOM 185 CB ALA A 14 27.682 -0.612 16.910 1.00 0.00 C ATOM 0 H ALA A 14 27.254 -2.727 15.853 1.00 0.00 H new ATOM 0 HA ALA A 14 28.610 -2.086 18.256 1.00 0.00 H new ATOM 0 HB1 ALA A 14 27.804 0.240 17.578 1.00 0.00 H new ATOM 0 HB2 ALA A 14 28.509 -0.638 16.200 1.00 0.00 H new ATOM 0 HB3 ALA A 14 26.741 -0.516 16.368 1.00 0.00 H new ATOM 191 N TYR A 15 25.670 -2.745 18.973 1.00 0.00 N ATOM 192 CA TYR A 15 24.517 -2.701 19.890 1.00 0.00 C ATOM 193 C TYR A 15 24.852 -2.626 21.400 1.00 0.00 C ATOM 194 O TYR A 15 23.974 -2.331 22.211 1.00 0.00 O ATOM 195 CB TYR A 15 23.570 -3.873 19.579 1.00 0.00 C ATOM 196 CG TYR A 15 24.048 -5.251 20.012 1.00 0.00 C ATOM 197 CD1 TYR A 15 23.710 -5.740 21.290 1.00 0.00 C ATOM 198 CD2 TYR A 15 24.794 -6.060 19.130 1.00 0.00 C ATOM 199 CE1 TYR A 15 24.126 -7.023 21.693 1.00 0.00 C ATOM 200 CE2 TYR A 15 25.215 -7.345 19.532 1.00 0.00 C ATOM 201 CZ TYR A 15 24.883 -7.829 20.816 1.00 0.00 C ATOM 202 OH TYR A 15 25.280 -9.071 21.210 1.00 0.00 O ATOM 0 H TYR A 15 25.674 -3.583 18.391 1.00 0.00 H new ATOM 0 HA TYR A 15 24.025 -1.748 19.697 1.00 0.00 H new ATOM 0 HB2 TYR A 15 22.611 -3.676 20.058 1.00 0.00 H new ATOM 0 HB3 TYR A 15 23.391 -3.894 18.504 1.00 0.00 H new ATOM 0 HD1 TYR A 15 23.129 -5.127 21.963 1.00 0.00 H new ATOM 0 HD2 TYR A 15 25.044 -5.695 18.145 1.00 0.00 H new ATOM 0 HE1 TYR A 15 23.866 -7.391 22.674 1.00 0.00 H new ATOM 0 HE2 TYR A 15 25.792 -7.959 18.857 1.00 0.00 H new ATOM 0 HH TYR A 15 25.791 -9.495 20.489 1.00 0.00 H new ATOM 212 N ASP A 16 26.109 -2.875 21.790 1.00 0.00 N ATOM 213 CA ASP A 16 26.601 -2.794 23.177 1.00 0.00 C ATOM 214 C ASP A 16 27.217 -1.419 23.549 1.00 0.00 C ATOM 215 O ASP A 16 27.553 -1.185 24.713 1.00 0.00 O ATOM 216 CB ASP A 16 27.608 -3.937 23.388 1.00 0.00 C ATOM 217 CG ASP A 16 27.962 -4.161 24.870 1.00 0.00 C ATOM 218 OD1 ASP A 16 27.048 -4.459 25.677 1.00 0.00 O1- ATOM 219 OD2 ASP A 16 29.165 -4.092 25.226 1.00 0.00 O ATOM 0 H ASP A 16 26.837 -3.147 21.130 1.00 0.00 H new ATOM 0 HA ASP A 16 25.748 -2.898 23.847 1.00 0.00 H new ATOM 0 HB2 ASP A 16 27.196 -4.858 22.975 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.519 -3.718 22.831 1.00 0.00 H new ATOM 224 N ILE A 17 27.342 -0.493 22.586 1.00 0.00 N ATOM 225 CA ILE A 17 27.912 0.862 22.764 1.00 0.00 C ATOM 226 C ILE A 17 27.034 1.968 22.150 1.00 0.00 C ATOM 227 O ILE A 17 26.959 3.069 22.700 1.00 0.00 O ATOM 228 CB ILE A 17 29.374 0.917 22.239 1.00 0.00 C ATOM 229 CG1 ILE A 17 29.980 2.329 22.431 1.00 0.00 C ATOM 230 CG2 ILE A 17 29.507 0.433 20.780 1.00 0.00 C ATOM 231 CD1 ILE A 17 31.471 2.450 22.094 1.00 0.00 C ATOM 0 H ILE A 17 27.040 -0.668 21.627 1.00 0.00 H new ATOM 0 HA ILE A 17 27.930 1.064 23.835 1.00 0.00 H new ATOM 0 HB ILE A 17 29.951 0.216 22.842 1.00 0.00 H new ATOM 0 HG12 ILE A 17 29.425 3.033 21.810 1.00 0.00 H new ATOM 0 HG13 ILE A 17 29.832 2.633 23.467 1.00 0.00 H new ATOM 0 HG21 ILE A 17 30.550 0.495 20.470 1.00 0.00 H new ATOM 0 HG22 ILE A 17 29.167 -0.600 20.707 1.00 0.00 H new ATOM 0 HG23 ILE A 17 28.898 1.062 20.131 1.00 0.00 H new ATOM 0 HD11 ILE A 17 31.800 3.476 22.261 1.00 0.00 H new ATOM 0 HD12 ILE A 17 32.044 1.777 22.732 1.00 0.00 H new ATOM 0 HD13 ILE A 17 31.631 2.183 21.049 1.00 0.00 H new ATOM 243 N LEU A 18 26.320 1.671 21.061 1.00 0.00 N ATOM 244 CA LEU A 18 25.406 2.571 20.351 1.00 0.00 C ATOM 245 C LEU A 18 24.075 1.848 20.063 1.00 0.00 C ATOM 246 O LEU A 18 23.974 0.625 20.187 1.00 0.00 O ATOM 247 CB LEU A 18 26.059 3.029 19.024 1.00 0.00 C ATOM 248 CG LEU A 18 27.410 3.773 19.117 1.00 0.00 C ATOM 249 CD1 LEU A 18 27.960 4.029 17.713 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.305 5.123 19.823 1.00 0.00 C ATOM 0 H LEU A 18 26.366 0.749 20.628 1.00 0.00 H new ATOM 0 HA LEU A 18 25.204 3.444 20.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.202 2.149 18.397 1.00 0.00 H new ATOM 0 HB3 LEU A 18 25.352 3.678 18.507 1.00 0.00 H new ATOM 0 HG LEU A 18 28.069 3.129 19.700 1.00 0.00 H new ATOM 0 HD11 LEU A 18 28.913 4.554 17.785 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.108 3.078 17.201 1.00 0.00 H new ATOM 0 HD13 LEU A 18 27.252 4.638 17.150 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.287 5.594 19.855 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.612 5.765 19.279 1.00 0.00 H new ATOM 0 HD23 LEU A 18 26.940 4.975 20.839 1.00 0.00 H new ATOM 262 N ARG A 19 23.067 2.589 19.597 1.00 0.00 N ATOM 263 CA ARG A 19 21.816 2.056 19.025 1.00 0.00 C ATOM 264 C ARG A 19 21.537 2.749 17.690 1.00 0.00 C ATOM 265 O ARG A 19 21.822 3.940 17.547 1.00 0.00 O ATOM 266 CB ARG A 19 20.673 2.269 20.037 1.00 0.00 C ATOM 267 CG ARG A 19 19.302 1.700 19.614 1.00 0.00 C ATOM 268 CD ARG A 19 19.219 0.166 19.676 1.00 0.00 C ATOM 269 NE ARG A 19 19.062 -0.318 21.064 1.00 0.00 N ATOM 270 CZ ARG A 19 17.933 -0.428 21.746 1.00 0.00 C ATOM 271 NH1 ARG A 19 16.775 -0.117 21.234 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 17.945 -0.859 22.975 1.00 0.00 N ATOM 0 H ARG A 19 23.094 3.609 19.605 1.00 0.00 H new ATOM 0 HA ARG A 19 21.901 0.987 18.832 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.960 1.814 20.985 1.00 0.00 H new ATOM 0 HB3 ARG A 19 20.564 3.338 20.217 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.530 2.122 20.257 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.083 2.025 18.597 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.378 -0.177 19.074 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.120 -0.265 19.240 1.00 0.00 H new ATOM 0 HE ARG A 19 19.915 -0.597 21.548 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.717 0.225 20.275 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.927 -0.216 21.793 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.828 -1.114 23.417 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.071 -0.941 23.495 1.00 0.00 H new ATOM 286 N ARG A 20 20.973 2.006 16.731 1.00 0.00 N ATOM 287 CA ARG A 20 20.673 2.463 15.361 1.00 0.00 C ATOM 288 C ARG A 20 19.169 2.366 15.093 1.00 0.00 C ATOM 289 O ARG A 20 18.551 1.346 15.412 1.00 0.00 O ATOM 290 CB ARG A 20 21.468 1.641 14.322 1.00 0.00 C ATOM 291 CG ARG A 20 22.975 1.492 14.625 1.00 0.00 C ATOM 292 CD ARG A 20 23.364 0.073 15.066 1.00 0.00 C ATOM 293 NE ARG A 20 23.398 -0.859 13.919 1.00 0.00 N ATOM 294 CZ ARG A 20 23.602 -2.163 13.957 1.00 0.00 C ATOM 295 NH1 ARG A 20 23.744 -2.814 15.078 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 23.671 -2.848 12.852 1.00 0.00 N ATOM 0 H ARG A 20 20.702 1.035 16.889 1.00 0.00 H new ATOM 0 HA ARG A 20 20.978 3.505 15.267 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.026 0.647 14.252 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.354 2.110 13.345 1.00 0.00 H new ATOM 0 HG2 ARG A 20 23.546 1.759 13.736 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.254 2.198 15.407 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.342 0.095 15.547 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.651 -0.287 15.808 1.00 0.00 H new ATOM 0 HE ARG A 20 23.247 -0.450 12.997 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.699 -2.315 15.967 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.900 -3.822 15.066 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.567 -2.377 11.953 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.829 -3.855 12.885 1.00 0.00 H new ATOM 310 N CYS A 21 18.585 3.417 14.518 1.00 0.00 N ATOM 311 CA CYS A 21 17.148 3.523 14.256 1.00 0.00 C ATOM 312 C CYS A 21 16.817 3.027 12.833 1.00 0.00 C ATOM 313 O CYS A 21 17.248 3.622 11.840 1.00 0.00 O ATOM 314 CB CYS A 21 16.751 4.984 14.500 1.00 0.00 C ATOM 315 SG CYS A 21 14.948 5.171 14.405 1.00 0.00 S ATOM 0 H CYS A 21 19.109 4.238 14.214 1.00 0.00 H new ATOM 0 HA CYS A 21 16.568 2.885 14.923 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.106 5.306 15.479 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.230 5.626 13.761 1.00 0.00 H new ATOM 320 N SER A 22 16.048 1.937 12.732 1.00 0.00 N ATOM 321 CA SER A 22 15.675 1.261 11.471 1.00 0.00 C ATOM 322 C SER A 22 14.836 2.102 10.492 1.00 0.00 C ATOM 323 O SER A 22 14.614 1.681 9.353 1.00 0.00 O ATOM 324 CB SER A 22 14.942 -0.052 11.782 1.00 0.00 C ATOM 325 OG SER A 22 13.770 0.191 12.550 1.00 0.00 O ATOM 0 H SER A 22 15.651 1.480 13.553 1.00 0.00 H new ATOM 0 HA SER A 22 16.619 1.079 10.957 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.675 -0.553 10.852 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.606 -0.724 12.326 1.00 0.00 H new ATOM 0 HG SER A 22 13.318 -0.659 12.735 1.00 0.00 H new ATOM 331 N GLN A 23 14.395 3.296 10.906 1.00 0.00 N ATOM 332 CA GLN A 23 13.582 4.230 10.115 1.00 0.00 C ATOM 333 C GLN A 23 14.145 5.672 10.070 1.00 0.00 C ATOM 334 O GLN A 23 13.542 6.530 9.417 1.00 0.00 O ATOM 335 CB GLN A 23 12.118 4.163 10.594 1.00 0.00 C ATOM 336 CG GLN A 23 11.912 4.576 12.062 1.00 0.00 C ATOM 337 CD GLN A 23 10.464 4.410 12.531 1.00 0.00 C ATOM 338 OE1 GLN A 23 9.501 4.662 11.815 1.00 0.00 O ATOM 339 NE2 GLN A 23 10.244 3.964 13.751 1.00 0.00 N ATOM 0 H GLN A 23 14.603 3.653 11.839 1.00 0.00 H new ATOM 0 HA GLN A 23 13.623 3.910 9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.510 4.808 9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.750 3.146 10.460 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.565 3.978 12.697 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.212 5.616 12.187 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.030 3.748 14.364 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.288 3.835 14.082 1.00 0.00 H new ATOM 348 N CYS A 24 15.314 5.919 10.685 1.00 0.00 N ATOM 349 CA CYS A 24 15.985 7.231 10.723 1.00 0.00 C ATOM 350 C CYS A 24 17.480 7.176 10.317 1.00 0.00 C ATOM 351 O CYS A 24 18.018 8.167 9.818 1.00 0.00 O ATOM 352 CB CYS A 24 15.858 7.844 12.133 1.00 0.00 C ATOM 353 SG CYS A 24 14.158 7.870 12.776 1.00 0.00 S ATOM 0 H CYS A 24 15.832 5.194 11.182 1.00 0.00 H new ATOM 0 HA CYS A 24 15.481 7.854 9.984 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.488 7.280 12.821 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.243 8.863 12.111 1.00 0.00 H new ATOM 358 N GLY A 25 18.166 6.045 10.533 1.00 0.00 N ATOM 359 CA GLY A 25 19.577 5.823 10.172 1.00 0.00 C ATOM 360 C GLY A 25 20.622 6.500 11.078 1.00 0.00 C ATOM 361 O GLY A 25 21.820 6.265 10.902 1.00 0.00 O ATOM 0 H GLY A 25 17.742 5.231 10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.767 4.750 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.729 6.173 9.151 1.00 0.00 H new ATOM 365 N ILE A 26 20.201 7.323 12.044 1.00 0.00 N ATOM 366 CA ILE A 26 21.059 7.933 13.076 1.00 0.00 C ATOM 367 C ILE A 26 21.602 6.879 14.066 1.00 0.00 C ATOM 368 O ILE A 26 20.993 5.822 14.263 1.00 0.00 O ATOM 369 CB ILE A 26 20.280 9.076 13.784 1.00 0.00 C ATOM 370 CG1 ILE A 26 21.100 9.925 14.781 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.027 8.556 14.513 1.00 0.00 C ATOM 372 CD1 ILE A 26 22.337 10.603 14.178 1.00 0.00 C ATOM 0 H ILE A 26 19.222 7.594 12.136 1.00 0.00 H new ATOM 0 HA ILE A 26 21.938 8.366 12.600 1.00 0.00 H new ATOM 0 HB ILE A 26 20.007 9.730 12.956 1.00 0.00 H new ATOM 0 HG12 ILE A 26 20.451 10.692 15.203 1.00 0.00 H new ATOM 0 HG13 ILE A 26 21.418 9.287 15.606 1.00 0.00 H new ATOM 0 HG21 ILE A 26 18.514 9.389 14.993 1.00 0.00 H new ATOM 0 HG22 ILE A 26 18.358 8.083 13.794 1.00 0.00 H new ATOM 0 HG23 ILE A 26 19.322 7.827 15.268 1.00 0.00 H new ATOM 0 HD11 ILE A 26 22.850 11.177 14.950 1.00 0.00 H new ATOM 0 HD12 ILE A 26 23.011 9.844 13.782 1.00 0.00 H new ATOM 0 HD13 ILE A 26 22.030 11.271 13.373 1.00 0.00 H new ATOM 384 N LEU A 27 22.727 7.191 14.720 1.00 0.00 N ATOM 385 CA LEU A 27 23.329 6.406 15.800 1.00 0.00 C ATOM 386 C LEU A 27 23.487 7.274 17.056 1.00 0.00 C ATOM 387 O LEU A 27 24.105 8.340 16.993 1.00 0.00 O ATOM 388 CB LEU A 27 24.702 5.838 15.385 1.00 0.00 C ATOM 389 CG LEU A 27 24.666 4.739 14.308 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.709 5.286 12.881 1.00 0.00 C ATOM 391 CD2 LEU A 27 25.873 3.811 14.473 1.00 0.00 C ATOM 0 H LEU A 27 23.263 8.031 14.501 1.00 0.00 H new ATOM 0 HA LEU A 27 22.665 5.569 16.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.320 6.659 15.021 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.193 5.437 16.272 1.00 0.00 H new ATOM 0 HG LEU A 27 23.721 4.215 14.450 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.681 4.458 12.173 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.850 5.936 12.714 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.627 5.855 12.737 1.00 0.00 H new ATOM 0 HD21 LEU A 27 25.843 3.035 13.708 1.00 0.00 H new ATOM 0 HD22 LEU A 27 26.792 4.388 14.369 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.845 3.349 15.460 1.00 0.00 H new ATOM 403 N LEU A 28 22.961 6.804 18.193 1.00 0.00 N ATOM 404 CA LEU A 28 23.031 7.483 19.497 1.00 0.00 C ATOM 405 C LEU A 28 23.696 6.560 20.542 1.00 0.00 C ATOM 406 O LEU A 28 23.518 5.342 20.454 1.00 0.00 O ATOM 407 CB LEU A 28 21.621 7.876 20.003 1.00 0.00 C ATOM 408 CG LEU A 28 20.750 8.865 19.201 1.00 0.00 C ATOM 409 CD1 LEU A 28 21.521 10.076 18.680 1.00 0.00 C ATOM 410 CD2 LEU A 28 19.997 8.195 18.053 1.00 0.00 C ATOM 0 H LEU A 28 22.460 5.916 18.235 1.00 0.00 H new ATOM 0 HA LEU A 28 23.624 8.388 19.365 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.048 6.955 20.108 1.00 0.00 H new ATOM 0 HB3 LEU A 28 21.742 8.292 21.003 1.00 0.00 H new ATOM 0 HG LEU A 28 20.021 9.228 19.925 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.845 10.727 18.126 1.00 0.00 H new ATOM 0 HD12 LEU A 28 21.947 10.625 19.520 1.00 0.00 H new ATOM 0 HD13 LEU A 28 22.323 9.741 18.022 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.401 8.940 17.525 1.00 0.00 H new ATOM 0 HD22 LEU A 28 20.711 7.745 17.363 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.341 7.421 18.451 1.00 0.00 H new ATOM 422 N PRO A 29 24.425 7.103 21.540 1.00 0.00 N ATOM 423 CA PRO A 29 25.056 6.306 22.595 1.00 0.00 C ATOM 424 C PRO A 29 24.043 5.735 23.602 1.00 0.00 C ATOM 425 O PRO A 29 23.726 4.547 23.548 1.00 0.00 O ATOM 426 CB PRO A 29 26.111 7.230 23.224 1.00 0.00 C ATOM 427 CG PRO A 29 25.583 8.643 22.960 1.00 0.00 C ATOM 428 CD PRO A 29 24.843 8.498 21.632 1.00 0.00 C ATOM 0 HA PRO A 29 25.524 5.406 22.195 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.221 7.039 24.292 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.091 7.081 22.771 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.919 8.980 23.756 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.393 9.369 22.892 1.00 0.00 H new ATOM 0 HD2 PRO A 29 23.981 9.164 21.593 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.490 8.765 20.796 1.00 0.00 H new ATOM 436 N LEU A 30 23.528 6.572 24.514 1.00 0.00 N ATOM 437 CA LEU A 30 22.622 6.193 25.613 1.00 0.00 C ATOM 438 C LEU A 30 21.862 7.411 26.191 1.00 0.00 C ATOM 439 O LEU A 30 20.634 7.403 26.114 1.00 0.00 O ATOM 440 CB LEU A 30 23.422 5.438 26.708 1.00 0.00 C ATOM 441 CG LEU A 30 23.119 3.927 26.771 1.00 0.00 C ATOM 442 CD1 LEU A 30 24.228 3.195 27.529 1.00 0.00 C ATOM 443 CD2 LEU A 30 21.788 3.657 27.478 1.00 0.00 C ATOM 0 H LEU A 30 23.738 7.570 24.508 1.00 0.00 H new ATOM 0 HA LEU A 30 21.858 5.526 25.214 1.00 0.00 H new ATOM 0 HB2 LEU A 30 24.488 5.578 26.527 1.00 0.00 H new ATOM 0 HB3 LEU A 30 23.202 5.884 27.678 1.00 0.00 H new ATOM 0 HG LEU A 30 23.061 3.563 25.745 1.00 0.00 H new ATOM 0 HD11 LEU A 30 24.001 2.129 27.566 1.00 0.00 H new ATOM 0 HD12 LEU A 30 25.179 3.346 27.018 1.00 0.00 H new ATOM 0 HD13 LEU A 30 24.295 3.587 28.544 1.00 0.00 H new ATOM 0 HD21 LEU A 30 21.602 2.583 27.507 1.00 0.00 H new ATOM 0 HD22 LEU A 30 21.831 4.045 28.496 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.981 4.150 26.936 1.00 0.00 H new ATOM 455 N PRO A 31 22.528 8.492 26.670 1.00 0.00 N ATOM 456 CA PRO A 31 21.853 9.688 27.210 1.00 0.00 C ATOM 457 C PRO A 31 21.229 10.619 26.146 1.00 0.00 C ATOM 458 O PRO A 31 20.610 11.629 26.489 1.00 0.00 O ATOM 459 CB PRO A 31 22.924 10.416 28.032 1.00 0.00 C ATOM 460 CG PRO A 31 24.220 10.053 27.316 1.00 0.00 C ATOM 461 CD PRO A 31 23.969 8.607 26.898 1.00 0.00 C ATOM 0 HA PRO A 31 20.992 9.383 27.804 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.759 11.493 28.044 1.00 0.00 H new ATOM 0 HB3 PRO A 31 22.930 10.083 29.070 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.404 10.698 26.457 1.00 0.00 H new ATOM 0 HG3 PRO A 31 25.086 10.142 27.973 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.527 8.361 25.995 1.00 0.00 H new ATOM 0 HD3 PRO A 31 24.297 7.915 27.674 1.00 0.00 H new ATOM 469 N ILE A 32 21.384 10.287 24.857 1.00 0.00 N ATOM 470 CA ILE A 32 20.799 11.005 23.706 1.00 0.00 C ATOM 471 C ILE A 32 19.764 10.118 22.986 1.00 0.00 C ATOM 472 O ILE A 32 18.814 10.629 22.389 1.00 0.00 O ATOM 473 CB ILE A 32 21.918 11.493 22.744 1.00 0.00 C ATOM 474 CG1 ILE A 32 23.047 12.248 23.493 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.331 12.398 21.641 1.00 0.00 C ATOM 476 CD1 ILE A 32 24.252 12.632 22.624 1.00 0.00 C ATOM 0 H ILE A 32 21.941 9.481 24.572 1.00 0.00 H new ATOM 0 HA ILE A 32 20.274 11.888 24.069 1.00 0.00 H new ATOM 0 HB ILE A 32 22.355 10.603 22.291 1.00 0.00 H new ATOM 0 HG12 ILE A 32 22.630 13.155 23.931 1.00 0.00 H new ATOM 0 HG13 ILE A 32 23.395 11.626 24.318 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.131 12.729 20.978 1.00 0.00 H new ATOM 0 HG22 ILE A 32 20.592 11.839 21.067 1.00 0.00 H new ATOM 0 HG23 ILE A 32 20.855 13.266 22.097 1.00 0.00 H new ATOM 0 HD11 ILE A 32 24.988 13.155 23.234 1.00 0.00 H new ATOM 0 HD12 ILE A 32 24.701 11.731 22.206 1.00 0.00 H new ATOM 0 HD13 ILE A 32 23.924 13.283 21.814 1.00 0.00 H new ATOM 488 N LEU A 33 19.883 8.785 23.097 1.00 0.00 N ATOM 489 CA LEU A 33 18.938 7.821 22.525 1.00 0.00 C ATOM 490 C LEU A 33 17.506 8.061 23.009 1.00 0.00 C ATOM 491 O LEU A 33 16.586 8.014 22.200 1.00 0.00 O ATOM 492 CB LEU A 33 19.402 6.389 22.854 1.00 0.00 C ATOM 493 CG LEU A 33 18.465 5.284 22.321 1.00 0.00 C ATOM 494 CD1 LEU A 33 18.355 5.299 20.794 1.00 0.00 C ATOM 495 CD2 LEU A 33 18.979 3.923 22.786 1.00 0.00 C ATOM 0 H LEU A 33 20.654 8.342 23.597 1.00 0.00 H new ATOM 0 HA LEU A 33 18.926 7.956 21.443 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.398 6.237 22.439 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.489 6.286 23.936 1.00 0.00 H new ATOM 0 HG LEU A 33 17.468 5.473 22.719 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.685 4.503 20.470 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.961 6.261 20.467 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.341 5.144 20.357 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.321 3.139 22.412 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.987 3.764 22.403 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.997 3.894 23.875 1.00 0.00 H new ATOM 507 N ASN A 34 17.312 8.368 24.295 1.00 0.00 N ATOM 508 CA ASN A 34 15.999 8.704 24.854 1.00 0.00 C ATOM 509 C ASN A 34 15.310 9.865 24.107 1.00 0.00 C ATOM 510 O ASN A 34 14.130 9.754 23.777 1.00 0.00 O ATOM 511 CB ASN A 34 16.123 8.958 26.371 1.00 0.00 C ATOM 512 CG ASN A 34 17.240 9.917 26.752 1.00 0.00 C ATOM 513 OD1 ASN A 34 18.369 9.513 26.976 1.00 0.00 O ATOM 514 ND2 ASN A 34 16.988 11.205 26.815 1.00 0.00 N ATOM 0 H ASN A 34 18.066 8.391 24.982 1.00 0.00 H new ATOM 0 HA ASN A 34 15.340 7.848 24.708 1.00 0.00 H new ATOM 0 HB2 ASN A 34 15.177 9.354 26.740 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.289 8.006 26.875 1.00 0.00 H new ATOM 0 HD21 ASN A 34 17.734 11.860 27.050 1.00 0.00 H new ATOM 0 HD22 ASN A 34 16.046 11.550 26.629 1.00 0.00 H new ATOM 521 N GLN A 35 16.032 10.941 23.772 1.00 0.00 N ATOM 522 CA GLN A 35 15.463 12.076 23.035 1.00 0.00 C ATOM 523 C GLN A 35 15.050 11.687 21.606 1.00 0.00 C ATOM 524 O GLN A 35 13.965 12.079 21.163 1.00 0.00 O ATOM 525 CB GLN A 35 16.443 13.260 23.039 1.00 0.00 C ATOM 526 CG GLN A 35 15.792 14.530 22.465 1.00 0.00 C ATOM 527 CD GLN A 35 16.715 15.743 22.558 1.00 0.00 C ATOM 528 OE1 GLN A 35 17.489 16.042 21.657 1.00 0.00 O ATOM 529 NE2 GLN A 35 16.672 16.491 23.641 1.00 0.00 N ATOM 0 H GLN A 35 17.020 11.050 24.002 1.00 0.00 H new ATOM 0 HA GLN A 35 14.551 12.384 23.547 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.781 13.451 24.058 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.326 13.005 22.453 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.523 14.359 21.423 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.867 14.737 23.003 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.032 16.254 24.399 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.278 17.307 23.721 1.00 0.00 H new ATOM 538 N HIS A 36 15.854 10.876 20.902 1.00 0.00 N ATOM 539 CA HIS A 36 15.425 10.308 19.620 1.00 0.00 C ATOM 540 C HIS A 36 14.193 9.417 19.803 1.00 0.00 C ATOM 541 O HIS A 36 13.217 9.584 19.085 1.00 0.00 O ATOM 542 CB HIS A 36 16.546 9.522 18.916 1.00 0.00 C ATOM 543 CG HIS A 36 16.138 9.128 17.509 1.00 0.00 C ATOM 544 ND1 HIS A 36 16.122 9.972 16.425 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.606 7.934 17.087 1.00 0.00 C ATOM 546 CE1 HIS A 36 15.597 9.316 15.380 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.246 8.055 15.725 1.00 0.00 N ATOM 0 H HIS A 36 16.792 10.603 21.195 1.00 0.00 H new ATOM 0 HA HIS A 36 15.167 11.151 18.979 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.451 10.128 18.879 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.784 8.628 19.492 1.00 0.00 H new ATOM 0 HD1 HIS A 36 16.454 10.936 16.417 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.483 7.050 17.695 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.471 9.738 14.394 1.00 0.00 H new ATOM 555 N GLN A 37 14.209 8.505 20.777 1.00 0.00 N ATOM 556 CA GLN A 37 13.166 7.502 20.981 1.00 0.00 C ATOM 557 C GLN A 37 11.785 8.120 21.258 1.00 0.00 C ATOM 558 O GLN A 37 10.799 7.649 20.693 1.00 0.00 O ATOM 559 CB GLN A 37 13.623 6.533 22.085 1.00 0.00 C ATOM 560 CG GLN A 37 12.847 5.209 22.080 1.00 0.00 C ATOM 561 CD GLN A 37 13.536 4.161 22.954 1.00 0.00 C ATOM 562 OE1 GLN A 37 13.127 3.864 24.070 1.00 0.00 O ATOM 563 NE2 GLN A 37 14.617 3.564 22.489 1.00 0.00 N ATOM 0 H GLN A 37 14.964 8.443 21.460 1.00 0.00 H new ATOM 0 HA GLN A 37 13.028 6.943 20.056 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.686 6.325 21.961 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.503 7.014 23.056 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.833 5.378 22.441 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.764 4.837 21.059 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.971 3.800 21.562 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.099 2.867 23.057 1.00 0.00 H new ATOM 572 N GLU A 38 11.696 9.208 22.036 1.00 0.00 N ATOM 573 CA GLU A 38 10.430 9.940 22.206 1.00 0.00 C ATOM 574 C GLU A 38 9.940 10.588 20.896 1.00 0.00 C ATOM 575 O GLU A 38 8.774 10.425 20.536 1.00 0.00 O ATOM 576 CB GLU A 38 10.528 11.018 23.303 1.00 0.00 C ATOM 577 CG GLU A 38 10.871 10.519 24.717 1.00 0.00 C ATOM 578 CD GLU A 38 10.060 9.284 25.161 1.00 0.00 C ATOM 579 OE1 GLU A 38 8.806 9.329 25.127 1.00 0.00 O ATOM 580 OE2 GLU A 38 10.670 8.265 25.570 1.00 0.00 O1- ATOM 0 H GLU A 38 12.481 9.600 22.556 1.00 0.00 H new ATOM 0 HA GLU A 38 9.700 9.190 22.511 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.284 11.744 23.003 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.577 11.548 23.348 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.933 10.277 24.758 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.700 11.328 25.428 1.00 0.00 H new ATOM 587 N LYS A 39 10.813 11.290 20.155 1.00 0.00 N ATOM 588 CA LYS A 39 10.457 11.961 18.886 1.00 0.00 C ATOM 589 C LYS A 39 10.086 10.970 17.772 1.00 0.00 C ATOM 590 O LYS A 39 9.079 11.158 17.088 1.00 0.00 O ATOM 591 CB LYS A 39 11.617 12.892 18.468 1.00 0.00 C ATOM 592 CG LYS A 39 11.534 13.438 17.029 1.00 0.00 C ATOM 593 CD LYS A 39 10.270 14.267 16.720 1.00 0.00 C ATOM 594 CE LYS A 39 9.813 14.096 15.264 1.00 0.00 C ATOM 595 NZ LYS A 39 10.781 14.661 14.285 1.00 0.00 N1+ ATOM 0 H LYS A 39 11.791 11.411 20.417 1.00 0.00 H new ATOM 0 HA LYS A 39 9.558 12.555 19.051 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.652 13.735 19.158 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.556 12.349 18.580 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.411 14.056 16.839 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.579 12.599 16.335 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.465 13.965 17.391 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.470 15.320 16.916 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.669 13.036 15.055 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.846 14.581 15.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.422 14.518 13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.900 15.679 14.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.698 14.182 14.388 1.00 0.00 H new ATOM 609 N CYS A 40 10.888 9.921 17.603 1.00 0.00 N ATOM 610 CA CYS A 40 10.717 8.849 16.626 1.00 0.00 C ATOM 611 C CYS A 40 9.380 8.114 16.867 1.00 0.00 C ATOM 612 O CYS A 40 8.582 7.940 15.940 1.00 0.00 O ATOM 613 CB CYS A 40 11.967 7.954 16.753 1.00 0.00 C ATOM 614 SG CYS A 40 12.275 6.923 15.296 1.00 0.00 S ATOM 0 H CYS A 40 11.721 9.789 18.177 1.00 0.00 H new ATOM 0 HA CYS A 40 10.647 9.213 15.601 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.838 8.585 16.932 1.00 0.00 H new ATOM 0 HB3 CYS A 40 11.855 7.310 17.626 1.00 0.00 H new ATOM 619 N ARG A 41 9.073 7.791 18.136 1.00 0.00 N ATOM 620 CA ARG A 41 7.775 7.237 18.559 1.00 0.00 C ATOM 621 C ARG A 41 6.613 8.208 18.341 1.00 0.00 C ATOM 622 O ARG A 41 5.573 7.778 17.845 1.00 0.00 O ATOM 623 CB ARG A 41 7.860 6.777 20.024 1.00 0.00 C ATOM 624 CG ARG A 41 6.603 6.017 20.471 1.00 0.00 C ATOM 625 CD ARG A 41 6.774 5.458 21.888 1.00 0.00 C ATOM 626 NE ARG A 41 5.620 4.619 22.274 1.00 0.00 N ATOM 627 CZ ARG A 41 4.477 5.016 22.808 1.00 0.00 C ATOM 628 NH1 ARG A 41 4.239 6.264 23.106 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 3.535 4.151 23.054 1.00 0.00 N ATOM 0 H ARG A 41 9.730 7.909 18.908 1.00 0.00 H new ATOM 0 HA ARG A 41 7.561 6.376 17.926 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.733 6.137 20.151 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.005 7.645 20.667 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.741 6.683 20.441 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.400 5.202 19.777 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.689 4.869 21.941 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.882 6.280 22.596 1.00 0.00 H new ATOM 0 HE ARG A 41 5.716 3.617 22.109 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.948 6.975 22.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.344 6.528 23.517 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.678 3.165 22.835 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.654 4.459 23.466 1.00 0.00 H new ATOM 643 N TRP A 42 6.767 9.497 18.662 1.00 0.00 N ATOM 644 CA TRP A 42 5.726 10.511 18.431 1.00 0.00 C ATOM 645 C TRP A 42 5.350 10.595 16.947 1.00 0.00 C ATOM 646 O TRP A 42 4.173 10.489 16.602 1.00 0.00 O ATOM 647 CB TRP A 42 6.171 11.882 18.967 1.00 0.00 C ATOM 648 CG TRP A 42 5.086 12.920 19.014 1.00 0.00 C ATOM 649 CD1 TRP A 42 4.354 13.221 20.111 1.00 0.00 C ATOM 650 CD2 TRP A 42 4.572 13.785 17.946 1.00 0.00 C ATOM 651 NE1 TRP A 42 3.423 14.194 19.802 1.00 0.00 N ATOM 652 CE2 TRP A 42 3.501 14.568 18.479 1.00 0.00 C ATOM 653 CE3 TRP A 42 4.893 13.991 16.584 1.00 0.00 C ATOM 654 CZ2 TRP A 42 2.775 15.484 17.703 1.00 0.00 C ATOM 655 CZ3 TRP A 42 4.167 14.904 15.793 1.00 0.00 C ATOM 656 CH2 TRP A 42 3.108 15.646 16.347 1.00 0.00 C ATOM 0 H TRP A 42 7.615 9.869 19.089 1.00 0.00 H new ATOM 0 HA TRP A 42 4.835 10.206 18.979 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.573 11.751 19.971 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.984 12.254 18.344 1.00 0.00 H new ATOM 0 HD1 TRP A 42 4.479 12.768 21.084 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.760 14.586 20.471 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.709 13.439 16.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 1.971 16.057 18.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.426 15.035 14.753 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.552 16.338 15.732 1.00 0.00 H new ATOM 667 N LEU A 43 6.351 10.697 16.061 1.00 0.00 N ATOM 668 CA LEU A 43 6.143 10.727 14.613 1.00 0.00 C ATOM 669 C LEU A 43 5.471 9.439 14.112 1.00 0.00 C ATOM 670 O LEU A 43 4.470 9.513 13.402 1.00 0.00 O ATOM 671 CB LEU A 43 7.494 10.970 13.911 1.00 0.00 C ATOM 672 CG LEU A 43 7.362 11.241 12.400 1.00 0.00 C ATOM 673 CD1 LEU A 43 6.795 12.637 12.119 1.00 0.00 C ATOM 674 CD2 LEU A 43 8.728 11.142 11.724 1.00 0.00 C ATOM 0 H LEU A 43 7.332 10.761 16.334 1.00 0.00 H new ATOM 0 HA LEU A 43 5.465 11.545 14.370 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.992 11.818 14.382 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.134 10.101 14.062 1.00 0.00 H new ATOM 0 HG LEU A 43 6.679 10.490 12.003 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.718 12.788 11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.807 12.726 12.570 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.457 13.391 12.545 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.621 11.336 10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.404 11.878 12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.136 10.142 11.872 1.00 0.00 H new ATOM 686 N ALA A 44 5.974 8.265 14.510 1.00 0.00 N ATOM 687 CA ALA A 44 5.412 6.970 14.121 1.00 0.00 C ATOM 688 C ALA A 44 3.956 6.774 14.600 1.00 0.00 C ATOM 689 O ALA A 44 3.130 6.231 13.862 1.00 0.00 O ATOM 690 CB ALA A 44 6.330 5.864 14.656 1.00 0.00 C ATOM 0 H ALA A 44 6.790 8.188 15.117 1.00 0.00 H new ATOM 0 HA ALA A 44 5.365 6.927 13.033 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.928 4.890 14.376 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.327 5.981 14.230 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.389 5.934 15.742 1.00 0.00 H new ATOM 696 N SER A 45 3.625 7.247 15.807 1.00 0.00 N ATOM 697 CA SER A 45 2.268 7.216 16.369 1.00 0.00 C ATOM 698 C SER A 45 1.305 8.141 15.607 1.00 0.00 C ATOM 699 O SER A 45 0.202 7.721 15.242 1.00 0.00 O ATOM 700 CB SER A 45 2.325 7.600 17.853 1.00 0.00 C ATOM 701 OG SER A 45 1.061 7.434 18.479 1.00 0.00 O ATOM 0 H SER A 45 4.308 7.672 16.435 1.00 0.00 H new ATOM 0 HA SER A 45 1.880 6.203 16.265 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.068 6.986 18.361 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.648 8.637 17.950 1.00 0.00 H new ATOM 0 HG SER A 45 1.128 7.685 19.424 1.00 0.00 H new ATOM 707 N SER A 46 1.724 9.374 15.297 1.00 0.00 N ATOM 708 CA SER A 46 0.933 10.332 14.505 1.00 0.00 C ATOM 709 C SER A 46 0.786 9.936 13.027 1.00 0.00 C ATOM 710 O SER A 46 -0.252 10.217 12.421 1.00 0.00 O ATOM 711 CB SER A 46 1.541 11.738 14.605 1.00 0.00 C ATOM 712 OG SER A 46 1.417 12.238 15.928 1.00 0.00 O ATOM 0 H SER A 46 2.629 9.741 15.590 1.00 0.00 H new ATOM 0 HA SER A 46 -0.069 10.322 14.934 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.592 11.708 14.318 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.039 12.409 13.907 1.00 0.00 H new ATOM 0 HG SER A 46 1.810 13.134 15.977 1.00 0.00 H new ATOM 718 N LYS A 47 1.767 9.228 12.444 1.00 0.00 N ATOM 719 CA LYS A 47 1.737 8.651 11.082 1.00 0.00 C ATOM 720 C LYS A 47 0.874 7.368 10.999 1.00 0.00 C ATOM 721 O LYS A 47 1.276 6.354 10.426 1.00 0.00 O ATOM 722 CB LYS A 47 3.187 8.448 10.586 1.00 0.00 C ATOM 723 CG LYS A 47 3.310 8.331 9.052 1.00 0.00 C ATOM 724 CD LYS A 47 3.283 9.684 8.322 1.00 0.00 C ATOM 725 CE LYS A 47 4.631 10.410 8.445 1.00 0.00 C ATOM 726 NZ LYS A 47 4.613 11.721 7.743 1.00 0.00 N1+ ATOM 0 H LYS A 47 2.643 9.031 12.927 1.00 0.00 H new ATOM 0 HA LYS A 47 1.243 9.353 10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.798 9.283 10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.595 7.547 11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.240 7.817 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.496 7.711 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.046 9.527 7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.492 10.308 8.737 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.867 10.564 9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.421 9.785 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.539 12.183 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.412 11.572 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.876 12.326 8.157 1.00 0.00 H new ATOM 740 N GLY A 48 -0.324 7.401 11.585 1.00 0.00 N ATOM 741 CA GLY A 48 -1.273 6.278 11.637 1.00 0.00 C ATOM 742 C GLY A 48 -2.238 6.185 10.441 1.00 0.00 C ATOM 743 O GLY A 48 -3.098 5.302 10.424 1.00 0.00 O ATOM 0 H GLY A 48 -0.676 8.236 12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.709 5.348 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.859 6.360 12.552 1.00 0.00 H new ATOM 747 N LYS A 49 -2.125 7.094 9.459 1.00 0.00 N ATOM 748 CA LYS A 49 -3.047 7.246 8.317 1.00 0.00 C ATOM 749 C LYS A 49 -2.290 7.772 7.083 1.00 0.00 C ATOM 750 O LYS A 49 -1.705 8.856 7.130 1.00 0.00 O ATOM 751 CB LYS A 49 -4.186 8.195 8.766 1.00 0.00 C ATOM 752 CG LYS A 49 -5.517 8.078 8.003 1.00 0.00 C ATOM 753 CD LYS A 49 -5.410 8.417 6.515 1.00 0.00 C ATOM 754 CE LYS A 49 -6.788 8.605 5.875 1.00 0.00 C ATOM 755 NZ LYS A 49 -6.659 8.880 4.421 1.00 0.00 N1+ ATOM 0 H LYS A 49 -1.361 7.769 9.436 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.476 6.288 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.382 8.017 9.823 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.830 9.221 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.896 7.062 8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.249 8.741 8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.824 9.328 6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.875 7.621 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.391 7.710 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.311 9.429 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.108 9.792 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.652 8.918 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.127 8.124 3.882 1.00 0.00 H new ATOM 769 N GLN A 50 -2.284 7.004 5.990 1.00 0.00 N ATOM 770 CA GLN A 50 -1.638 7.356 4.714 1.00 0.00 C ATOM 771 C GLN A 50 -2.253 8.606 4.049 1.00 0.00 C ATOM 772 O GLN A 50 -3.449 8.877 4.167 1.00 0.00 O ATOM 773 CB GLN A 50 -1.700 6.165 3.733 1.00 0.00 C ATOM 774 CG GLN A 50 -0.821 4.958 4.115 1.00 0.00 C ATOM 775 CD GLN A 50 -1.525 3.933 5.010 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.864 4.185 6.159 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.783 2.737 4.526 1.00 0.00 N ATOM 0 H GLN A 50 -2.741 6.092 5.964 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.601 7.593 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.735 5.831 3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.403 6.513 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.488 4.461 3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.072 5.319 4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.510 2.503 3.571 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.256 2.043 5.105 1.00 0.00 H new ATOM 786 N VAL A 51 -1.440 9.333 3.272 1.00 0.00 N ATOM 787 CA VAL A 51 -1.786 10.634 2.650 1.00 0.00 C ATOM 788 C VAL A 51 -2.063 10.539 1.136 1.00 0.00 C ATOM 789 O VAL A 51 -2.031 11.547 0.428 1.00 0.00 O ATOM 790 CB VAL A 51 -0.710 11.697 2.977 1.00 0.00 C ATOM 791 CG1 VAL A 51 -0.650 11.978 4.484 1.00 0.00 C ATOM 792 CG2 VAL A 51 0.693 11.300 2.497 1.00 0.00 C ATOM 0 H VAL A 51 -0.492 9.030 3.047 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.730 10.952 3.093 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.013 12.594 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.115 12.729 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.618 12.346 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.404 11.059 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.402 12.086 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.992 10.369 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.682 11.163 1.416 1.00 0.00 H new ATOM 802 N ARG A 52 -2.331 9.324 0.628 1.00 0.00 N ATOM 803 CA ARG A 52 -2.558 8.994 -0.800 1.00 0.00 C ATOM 804 C ARG A 52 -1.434 9.498 -1.734 1.00 0.00 C ATOM 805 O ARG A 52 -1.681 9.907 -2.870 1.00 0.00 O ATOM 806 CB ARG A 52 -3.983 9.457 -1.197 1.00 0.00 C ATOM 807 CG ARG A 52 -4.601 8.751 -2.424 1.00 0.00 C ATOM 808 CD ARG A 52 -4.974 7.280 -2.186 1.00 0.00 C ATOM 809 NE ARG A 52 -6.099 7.140 -1.239 1.00 0.00 N ATOM 810 CZ ARG A 52 -6.487 6.037 -0.623 1.00 0.00 C ATOM 811 NH1 ARG A 52 -5.868 4.899 -0.776 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 -7.522 6.054 0.169 1.00 0.00 N ATOM 0 H ARG A 52 -2.400 8.501 1.227 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.508 7.913 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.644 9.307 -0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.955 10.529 -1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.495 9.295 -2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.896 8.805 -3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.240 6.815 -3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.107 6.744 -1.800 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.634 7.985 -1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.054 4.839 -1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.198 4.069 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.037 6.922 0.316 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.817 5.199 0.642 1.00 0.00 H new ATOM 826 N ASN A 53 -0.190 9.490 -1.247 1.00 0.00 N ATOM 827 CA ASN A 53 1.004 9.949 -1.968 1.00 0.00 C ATOM 828 C ASN A 53 2.271 9.182 -1.525 1.00 0.00 C ATOM 829 O ASN A 53 2.353 8.711 -0.386 1.00 0.00 O ATOM 830 CB ASN A 53 1.146 11.466 -1.733 1.00 0.00 C ATOM 831 CG ASN A 53 2.141 12.101 -2.685 1.00 0.00 C ATOM 832 OD1 ASN A 53 3.336 12.141 -2.434 1.00 0.00 O ATOM 833 ND2 ASN A 53 1.692 12.575 -3.824 1.00 0.00 N ATOM 0 H ASN A 53 0.022 9.153 -0.308 1.00 0.00 H new ATOM 0 HA ASN A 53 0.891 9.748 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.174 11.944 -1.854 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.463 11.645 -0.706 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.341 12.977 -4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.694 12.541 -4.033 1.00 0.00 H new ATOM 840 N PHE A 54 3.259 9.060 -2.418 1.00 0.00 N ATOM 841 CA PHE A 54 4.523 8.349 -2.165 1.00 0.00 C ATOM 842 C PHE A 54 5.514 9.139 -1.277 1.00 0.00 C ATOM 843 O PHE A 54 6.228 8.535 -0.472 1.00 0.00 O ATOM 844 CB PHE A 54 5.158 8.012 -3.524 1.00 0.00 C ATOM 845 CG PHE A 54 6.246 6.955 -3.470 1.00 0.00 C ATOM 846 CD1 PHE A 54 5.896 5.590 -3.483 1.00 0.00 C ATOM 847 CD2 PHE A 54 7.604 7.326 -3.429 1.00 0.00 C ATOM 848 CE1 PHE A 54 6.897 4.603 -3.458 1.00 0.00 C ATOM 849 CE2 PHE A 54 8.605 6.337 -3.404 1.00 0.00 C ATOM 850 CZ PHE A 54 8.252 4.975 -3.419 1.00 0.00 C ATOM 0 H PHE A 54 3.204 9.459 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 54 4.295 7.444 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.375 7.673 -4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.577 8.924 -3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.856 5.301 -3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.878 8.371 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.625 3.558 -3.469 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.646 6.624 -3.373 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.021 4.217 -3.401 1.00 0.00 H new ATOM 860 N SER A 55 5.511 10.479 -1.394 1.00 0.00 N ATOM 861 CA SER A 55 6.382 11.466 -0.706 1.00 0.00 C ATOM 862 C SER A 55 7.836 11.004 -0.473 1.00 0.00 C ATOM 863 O SER A 55 8.302 10.959 0.691 1.00 0.00 O ATOM 864 CB SER A 55 5.704 11.946 0.583 1.00 0.00 C ATOM 865 OG SER A 55 4.530 12.672 0.253 1.00 0.00 O ATOM 866 OXT SER A 55 8.535 10.763 -1.486 1.00 0.00 O1- ATOM 0 H SER A 55 4.851 10.942 -2.019 1.00 0.00 H new ATOM 0 HA SER A 55 6.494 12.308 -1.389 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.453 11.094 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.386 12.576 1.154 1.00 0.00 H new ATOM 0 HG SER A 55 4.240 12.431 -0.652 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 14.089 6.945 14.518 1.00 0.00 ZN