USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 Single : A 1 GLY N :NH3+ -121:sc= 0.0788 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 174:sc= -0.448 (180deg=-0.489) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 0.741 (180deg=0.571) USER MOD Single : A 14 SER OG : rot -50:sc= 1.26 USER MOD Single : A 19 ASN : amide:sc= -0.0633 K(o=-0.063,f=-2.4) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0856 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 30 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -143:sc= -0.15 (180deg=-0.204) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -0.933 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 56 SER OG : rot 89:sc= 0.387 USER MOD Single : A 58 TYR OH : rot -166:sc= 1.27 USER MOD Single : A 59 SER OG : rot -120:sc= 0.0349 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.127 USER MOD Single : A 82 TYR OH : rot -53:sc= 0.00938 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.421 X(o=-0.42,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 130:sc= 0.12 USER MOD Single : A 96 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.1) USER MOD Single : A 98 MET CE :methyl -174:sc= -0.0549 (180deg=-0.122) USER MOD Single : A 100 GLN : amide:sc= -1.25! C(o=-1.2!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.085 6.848 -11.702 1.00 0.00 N ATOM 2 CA GLY A 1 -21.685 7.102 -11.339 1.00 0.00 C ATOM 3 C GLY A 1 -21.120 5.945 -10.527 1.00 0.00 C ATOM 4 O GLY A 1 -21.851 5.049 -10.104 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.182 6.857 -12.737 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.376 5.919 -11.335 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.690 7.588 -11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.090 7.244 -12.241 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.615 8.025 -10.763 1.00 0.00 H new ATOM 8 N SER A 2 -19.808 5.952 -10.290 1.00 0.00 N ATOM 9 CA SER A 2 -19.211 5.242 -9.169 1.00 0.00 C ATOM 10 C SER A 2 -19.198 6.228 -8.007 1.00 0.00 C ATOM 11 O SER A 2 -18.607 7.302 -8.134 1.00 0.00 O ATOM 12 CB SER A 2 -17.777 4.805 -9.479 1.00 0.00 C ATOM 13 OG SER A 2 -17.736 3.851 -10.527 1.00 0.00 O ATOM 0 H SER A 2 -19.134 6.450 -10.871 1.00 0.00 H new ATOM 0 HA SER A 2 -19.780 4.339 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.183 5.676 -9.756 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.324 4.381 -8.583 1.00 0.00 H new ATOM 0 HG SER A 2 -16.806 3.595 -10.700 1.00 0.00 H new ATOM 19 N HIS A 3 -19.845 5.874 -6.902 1.00 0.00 N ATOM 20 CA HIS A 3 -19.775 6.592 -5.642 1.00 0.00 C ATOM 21 C HIS A 3 -19.470 5.574 -4.536 1.00 0.00 C ATOM 22 O HIS A 3 -20.218 5.420 -3.569 1.00 0.00 O ATOM 23 CB HIS A 3 -21.054 7.408 -5.407 1.00 0.00 C ATOM 24 CG HIS A 3 -21.318 8.506 -6.414 1.00 0.00 C ATOM 25 ND1 HIS A 3 -22.376 8.555 -7.292 1.00 0.00 N ATOM 26 CD2 HIS A 3 -20.627 9.684 -6.538 1.00 0.00 C ATOM 27 CE1 HIS A 3 -22.331 9.728 -7.937 1.00 0.00 C ATOM 28 NE2 HIS A 3 -21.288 10.461 -7.505 1.00 0.00 N ATOM 0 H HIS A 3 -20.450 5.054 -6.861 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.972 7.329 -5.649 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -21.905 6.726 -5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.003 7.854 -4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -19.738 9.964 -5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -23.032 10.041 -8.696 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -21.028 11.396 -7.818 1.00 0.00 H new ATOM 36 N GLU A 4 -18.368 4.846 -4.709 1.00 0.00 N ATOM 37 CA GLU A 4 -17.675 4.005 -3.738 1.00 0.00 C ATOM 38 C GLU A 4 -16.192 4.038 -4.135 1.00 0.00 C ATOM 39 O GLU A 4 -15.863 4.458 -5.253 1.00 0.00 O ATOM 40 CB GLU A 4 -18.235 2.564 -3.756 1.00 0.00 C ATOM 41 CG GLU A 4 -19.154 2.277 -2.558 1.00 0.00 C ATOM 42 CD GLU A 4 -19.806 0.896 -2.657 1.00 0.00 C ATOM 43 OE1 GLU A 4 -19.088 -0.129 -2.698 1.00 0.00 O ATOM 44 OE2 GLU A 4 -21.057 0.825 -2.708 1.00 0.00 O ATOM 0 H GLU A 4 -17.897 4.829 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.815 4.369 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -18.788 2.404 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.407 1.855 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.578 2.341 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -19.929 3.041 -2.504 1.00 0.00 H new ATOM 51 N GLY A 5 -15.304 3.604 -3.242 1.00 0.00 N ATOM 52 CA GLY A 5 -13.861 3.638 -3.434 1.00 0.00 C ATOM 53 C GLY A 5 -13.170 4.305 -2.261 1.00 0.00 C ATOM 54 O GLY A 5 -12.474 5.302 -2.458 1.00 0.00 O ATOM 0 H GLY A 5 -15.579 3.209 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.483 2.623 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.626 4.176 -4.352 1.00 0.00 H new ATOM 58 N GLU A 6 -13.366 3.789 -1.047 1.00 0.00 N ATOM 59 CA GLU A 6 -12.542 4.166 0.100 1.00 0.00 C ATOM 60 C GLU A 6 -11.116 3.636 -0.103 1.00 0.00 C ATOM 61 O GLU A 6 -10.877 2.772 -0.959 1.00 0.00 O ATOM 62 CB GLU A 6 -13.175 3.721 1.438 1.00 0.00 C ATOM 63 CG GLU A 6 -13.752 4.928 2.209 1.00 0.00 C ATOM 64 CD GLU A 6 -14.198 4.620 3.643 1.00 0.00 C ATOM 65 OE1 GLU A 6 -13.531 3.842 4.366 1.00 0.00 O ATOM 66 OE2 GLU A 6 -15.209 5.202 4.094 1.00 0.00 O ATOM 0 H GLU A 6 -14.092 3.105 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.488 5.253 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.966 2.996 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.425 3.220 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.999 5.716 2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.604 5.322 1.655 1.00 0.00 H new ATOM 73 N PRO A 7 -10.138 4.174 0.643 1.00 0.00 N ATOM 74 CA PRO A 7 -8.741 3.907 0.381 1.00 0.00 C ATOM 75 C PRO A 7 -8.347 2.557 1.012 1.00 0.00 C ATOM 76 O PRO A 7 -7.678 2.509 2.044 1.00 0.00 O ATOM 77 CB PRO A 7 -7.996 5.128 0.942 1.00 0.00 C ATOM 78 CG PRO A 7 -8.848 5.469 2.165 1.00 0.00 C ATOM 79 CD PRO A 7 -10.260 5.216 1.652 1.00 0.00 C ATOM 0 HA PRO A 7 -8.492 3.793 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.967 4.892 1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.958 5.950 0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.606 4.837 3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.709 6.502 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.919 4.901 2.461 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.689 6.123 1.227 1.00 0.00 H new ATOM 87 N VAL A 8 -8.714 1.431 0.400 1.00 0.00 N ATOM 88 CA VAL A 8 -8.211 0.110 0.777 1.00 0.00 C ATOM 89 C VAL A 8 -7.944 -0.749 -0.471 1.00 0.00 C ATOM 90 O VAL A 8 -8.446 -0.454 -1.562 1.00 0.00 O ATOM 91 CB VAL A 8 -9.171 -0.492 1.831 1.00 0.00 C ATOM 92 CG1 VAL A 8 -10.548 -0.819 1.248 1.00 0.00 C ATOM 93 CG2 VAL A 8 -8.594 -1.728 2.531 1.00 0.00 C ATOM 0 H VAL A 8 -9.374 1.410 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.234 0.165 1.256 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.291 0.290 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.183 -1.239 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.004 0.091 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.439 -1.543 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.314 -2.104 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.388 -2.502 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.670 -1.459 3.042 1.00 0.00 H new ATOM 103 N VAL A 9 -7.123 -1.795 -0.327 1.00 0.00 N ATOM 104 CA VAL A 9 -6.718 -2.708 -1.391 1.00 0.00 C ATOM 105 C VAL A 9 -7.772 -3.812 -1.508 1.00 0.00 C ATOM 106 O VAL A 9 -7.731 -4.779 -0.747 1.00 0.00 O ATOM 107 CB VAL A 9 -5.309 -3.281 -1.091 1.00 0.00 C ATOM 108 CG1 VAL A 9 -4.812 -4.224 -2.193 1.00 0.00 C ATOM 109 CG2 VAL A 9 -4.246 -2.192 -0.926 1.00 0.00 C ATOM 0 H VAL A 9 -6.708 -2.035 0.573 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.654 -2.184 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.437 -3.824 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.821 -4.597 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.501 -5.063 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.760 -3.684 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.281 -2.654 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.178 -1.608 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.521 -1.538 -0.099 1.00 0.00 H new ATOM 119 N GLY A 10 -8.695 -3.709 -2.462 1.00 0.00 N ATOM 120 CA GLY A 10 -9.609 -4.784 -2.807 1.00 0.00 C ATOM 121 C GLY A 10 -10.116 -4.548 -4.221 1.00 0.00 C ATOM 122 O GLY A 10 -10.673 -3.487 -4.485 1.00 0.00 O ATOM 0 H GLY A 10 -8.827 -2.866 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.103 -5.747 -2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.442 -4.813 -2.105 1.00 0.00 H new ATOM 126 N MET A 11 -9.891 -5.512 -5.118 1.00 0.00 N ATOM 127 CA MET A 11 -10.261 -5.555 -6.539 1.00 0.00 C ATOM 128 C MET A 11 -9.820 -4.379 -7.420 1.00 0.00 C ATOM 129 O MET A 11 -9.844 -4.538 -8.640 1.00 0.00 O ATOM 130 CB MET A 11 -11.761 -5.865 -6.722 1.00 0.00 C ATOM 131 CG MET A 11 -12.064 -7.370 -6.657 1.00 0.00 C ATOM 132 SD MET A 11 -12.104 -8.292 -8.233 1.00 0.00 S ATOM 133 CE MET A 11 -10.456 -7.972 -8.923 1.00 0.00 C ATOM 0 H MET A 11 -9.399 -6.363 -4.844 1.00 0.00 H new ATOM 0 HA MET A 11 -9.660 -6.381 -6.920 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.332 -5.349 -5.950 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.095 -5.472 -7.682 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.317 -7.836 -6.014 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.030 -7.498 -6.168 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.319 -8.564 -9.828 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.362 -6.913 -9.165 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.696 -8.246 -8.192 1.00 0.00 H new ATOM 143 N ASP A 12 -9.330 -3.264 -6.884 1.00 0.00 N ATOM 144 CA ASP A 12 -8.861 -2.111 -7.651 1.00 0.00 C ATOM 145 C ASP A 12 -7.533 -1.641 -7.058 1.00 0.00 C ATOM 146 O ASP A 12 -7.266 -1.868 -5.874 1.00 0.00 O ATOM 147 CB ASP A 12 -9.930 -1.003 -7.639 1.00 0.00 C ATOM 148 CG ASP A 12 -9.804 -0.075 -8.845 1.00 0.00 C ATOM 149 OD1 ASP A 12 -8.691 0.436 -9.109 1.00 0.00 O ATOM 150 OD2 ASP A 12 -10.821 0.165 -9.526 1.00 0.00 O ATOM 0 H ASP A 12 -9.246 -3.133 -5.876 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.695 -2.381 -8.694 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.922 -1.456 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.839 -0.421 -6.722 1.00 0.00 H new ATOM 155 N LYS A 13 -6.677 -1.002 -7.855 1.00 0.00 N ATOM 156 CA LYS A 13 -5.462 -0.316 -7.439 1.00 0.00 C ATOM 157 C LYS A 13 -5.362 1.043 -8.142 1.00 0.00 C ATOM 158 O LYS A 13 -4.318 1.338 -8.723 1.00 0.00 O ATOM 159 CB LYS A 13 -4.220 -1.196 -7.647 1.00 0.00 C ATOM 160 CG LYS A 13 -4.105 -2.332 -6.622 1.00 0.00 C ATOM 161 CD LYS A 13 -2.628 -2.578 -6.291 1.00 0.00 C ATOM 162 CE LYS A 13 -2.425 -3.808 -5.402 1.00 0.00 C ATOM 163 NZ LYS A 13 -0.995 -4.016 -5.079 1.00 0.00 N ATOM 0 H LYS A 13 -6.824 -0.948 -8.863 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.510 -0.124 -6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.248 -1.622 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.328 -0.573 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.653 -2.075 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.555 -3.241 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.068 -2.706 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.220 -1.700 -5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.994 -3.689 -4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.817 -4.691 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.910 -4.711 -4.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.497 -4.369 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.572 -3.114 -4.779 1.00 0.00 H new ATOM 177 N SER A 14 -6.413 1.866 -8.080 1.00 0.00 N ATOM 178 CA SER A 14 -6.397 3.241 -8.585 1.00 0.00 C ATOM 179 C SER A 14 -6.858 4.280 -7.549 1.00 0.00 C ATOM 180 O SER A 14 -6.544 5.459 -7.702 1.00 0.00 O ATOM 181 CB SER A 14 -7.219 3.328 -9.885 1.00 0.00 C ATOM 182 OG SER A 14 -8.568 2.925 -9.703 1.00 0.00 O ATOM 0 H SER A 14 -7.308 1.593 -7.673 1.00 0.00 H new ATOM 0 HA SER A 14 -5.359 3.495 -8.800 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.196 4.352 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.756 2.701 -10.647 1.00 0.00 H new ATOM 0 HG SER A 14 -8.592 2.055 -9.252 1.00 0.00 H new ATOM 188 N LEU A 15 -7.555 3.890 -6.469 1.00 0.00 N ATOM 189 CA LEU A 15 -8.254 4.831 -5.585 1.00 0.00 C ATOM 190 C LEU A 15 -7.544 4.884 -4.227 1.00 0.00 C ATOM 191 O LEU A 15 -7.996 4.256 -3.266 1.00 0.00 O ATOM 192 CB LEU A 15 -9.763 4.499 -5.462 1.00 0.00 C ATOM 193 CG LEU A 15 -10.443 3.919 -6.725 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.675 2.411 -6.559 1.00 0.00 C ATOM 195 CD2 LEU A 15 -11.774 4.600 -7.022 1.00 0.00 C ATOM 0 H LEU A 15 -7.648 2.914 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.212 5.827 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.891 3.787 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.291 5.409 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.771 4.104 -7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.154 2.016 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.719 1.910 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.317 2.234 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.216 4.161 -7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.450 4.461 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.610 5.665 -7.184 1.00 0.00 H new ATOM 207 N PHE A 16 -6.397 5.565 -4.146 1.00 0.00 N ATOM 208 CA PHE A 16 -5.529 5.586 -2.961 1.00 0.00 C ATOM 209 C PHE A 16 -5.161 7.012 -2.590 1.00 0.00 C ATOM 210 O PHE A 16 -5.362 7.425 -1.449 1.00 0.00 O ATOM 211 CB PHE A 16 -4.231 4.787 -3.195 1.00 0.00 C ATOM 212 CG PHE A 16 -4.415 3.289 -3.237 1.00 0.00 C ATOM 213 CD1 PHE A 16 -5.129 2.690 -4.287 1.00 0.00 C ATOM 214 CD2 PHE A 16 -3.999 2.506 -2.152 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.524 1.349 -4.191 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.295 1.132 -2.114 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.083 0.555 -3.126 1.00 0.00 C ATOM 0 H PHE A 16 -6.037 6.129 -4.916 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.090 5.124 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.784 5.112 -4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.522 5.031 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.374 3.263 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.449 2.960 -1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.173 0.925 -4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.917 0.520 -1.308 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.346 -0.492 -3.082 1.00 0.00 H new ATOM 227 N ALA A 17 -4.590 7.739 -3.552 1.00 0.00 N ATOM 228 CA ALA A 17 -3.894 9.007 -3.390 1.00 0.00 C ATOM 229 C ALA A 17 -4.837 10.190 -3.122 1.00 0.00 C ATOM 230 O ALA A 17 -4.539 11.322 -3.522 1.00 0.00 O ATOM 231 CB ALA A 17 -3.015 9.217 -4.623 1.00 0.00 C ATOM 0 H ALA A 17 -4.605 7.434 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.272 8.963 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.479 10.162 -4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.298 8.399 -4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.640 9.240 -5.516 1.00 0.00 H new ATOM 237 N GLY A 18 -5.973 9.946 -2.472 1.00 0.00 N ATOM 238 CA GLY A 18 -6.955 10.936 -2.068 1.00 0.00 C ATOM 239 C GLY A 18 -7.056 11.095 -0.552 1.00 0.00 C ATOM 240 O GLY A 18 -7.268 12.220 -0.101 1.00 0.00 O ATOM 0 H GLY A 18 -6.243 9.000 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.697 11.897 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.931 10.654 -2.464 1.00 0.00 H new ATOM 244 N ASN A 19 -6.919 10.027 0.252 1.00 0.00 N ATOM 245 CA ASN A 19 -7.040 10.181 1.704 1.00 0.00 C ATOM 246 C ASN A 19 -5.696 10.506 2.362 1.00 0.00 C ATOM 247 O ASN A 19 -4.900 9.607 2.631 1.00 0.00 O ATOM 248 CB ASN A 19 -7.673 8.955 2.371 1.00 0.00 C ATOM 249 CG ASN A 19 -7.878 9.210 3.866 1.00 0.00 C ATOM 250 OD1 ASN A 19 -7.961 10.356 4.300 1.00 0.00 O ATOM 251 ND2 ASN A 19 -7.927 8.169 4.682 1.00 0.00 N ATOM 0 H ASN A 19 -6.730 9.077 -0.069 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.709 11.028 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.629 8.729 1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.033 8.084 2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.035 8.313 5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.857 7.223 4.307 1.00 0.00 H new ATOM 258 N THR A 20 -5.472 11.766 2.720 1.00 0.00 N ATOM 259 CA THR A 20 -4.290 12.270 3.429 1.00 0.00 C ATOM 260 C THR A 20 -4.140 11.735 4.871 1.00 0.00 C ATOM 261 O THR A 20 -3.267 12.196 5.604 1.00 0.00 O ATOM 262 CB THR A 20 -4.339 13.812 3.423 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.637 14.284 3.741 1.00 0.00 O ATOM 264 CG2 THR A 20 -3.969 14.395 2.055 1.00 0.00 C ATOM 0 H THR A 20 -6.143 12.506 2.515 1.00 0.00 H new ATOM 0 HA THR A 20 -3.411 11.902 2.899 1.00 0.00 H new ATOM 0 HB THR A 20 -3.615 14.134 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.640 15.264 3.732 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.017 15.483 2.098 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.958 14.087 1.790 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.669 14.030 1.303 1.00 0.00 H new ATOM 272 N VAL A 21 -4.981 10.789 5.307 1.00 0.00 N ATOM 273 CA VAL A 21 -5.125 10.378 6.704 1.00 0.00 C ATOM 274 C VAL A 21 -5.008 8.849 6.816 1.00 0.00 C ATOM 275 O VAL A 21 -5.073 8.300 7.915 1.00 0.00 O ATOM 276 CB VAL A 21 -6.454 10.931 7.289 1.00 0.00 C ATOM 277 CG1 VAL A 21 -6.465 10.974 8.826 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.755 12.371 6.835 1.00 0.00 C ATOM 0 H VAL A 21 -5.597 10.275 4.677 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.319 10.802 7.303 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.203 10.234 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.420 11.370 9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.325 9.967 9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.657 11.616 9.178 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.695 12.702 7.276 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.950 13.031 7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.833 12.401 5.748 1.00 0.00 H new ATOM 288 N ILE A 22 -4.833 8.123 5.703 1.00 0.00 N ATOM 289 CA ILE A 22 -4.552 6.706 5.715 1.00 0.00 C ATOM 290 C ILE A 22 -3.146 6.549 6.264 1.00 0.00 C ATOM 291 O ILE A 22 -2.178 6.998 5.645 1.00 0.00 O ATOM 292 CB ILE A 22 -4.765 6.096 4.318 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.620 4.572 4.424 1.00 0.00 C ATOM 294 CG2 ILE A 22 -3.859 6.603 3.180 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.328 3.907 3.254 1.00 0.00 C ATOM 0 H ILE A 22 -4.886 8.521 4.765 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.238 6.150 6.355 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.764 6.422 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.565 4.297 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.044 4.221 5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.117 6.090 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.001 7.676 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.817 6.402 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.223 2.825 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.385 4.171 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.884 4.248 2.319 1.00 0.00 H new ATOM 307 N ARG A 23 -3.043 5.986 7.462 1.00 0.00 N ATOM 308 CA ARG A 23 -1.761 5.714 8.087 1.00 0.00 C ATOM 309 C ARG A 23 -1.275 4.319 7.734 1.00 0.00 C ATOM 310 O ARG A 23 -0.088 4.051 7.916 1.00 0.00 O ATOM 311 CB ARG A 23 -1.871 5.960 9.599 1.00 0.00 C ATOM 312 CG ARG A 23 -2.070 7.454 9.895 1.00 0.00 C ATOM 313 CD ARG A 23 -1.705 7.838 11.327 1.00 0.00 C ATOM 314 NE ARG A 23 -2.516 7.121 12.323 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.327 7.177 13.642 1.00 0.00 C ATOM 316 NH1 ARG A 23 -1.437 8.012 14.170 1.00 0.00 N ATOM 317 NH2 ARG A 23 -3.023 6.369 14.427 1.00 0.00 N ATOM 0 H ARG A 23 -3.847 5.707 8.024 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.003 6.396 7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.706 5.390 10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.969 5.603 10.097 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.464 8.039 9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.111 7.719 9.709 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.650 7.625 11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.839 8.912 11.458 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.279 6.538 11.979 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.887 8.621 13.564 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.304 8.043 15.181 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.693 5.715 14.021 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.889 6.400 15.438 1.00 0.00 H new ATOM 331 N GLU A 24 -2.145 3.465 7.195 1.00 0.00 N ATOM 332 CA GLU A 24 -1.883 2.039 7.035 1.00 0.00 C ATOM 333 C GLU A 24 -2.553 1.515 5.774 1.00 0.00 C ATOM 334 O GLU A 24 -3.706 1.855 5.501 1.00 0.00 O ATOM 335 CB GLU A 24 -2.438 1.262 8.241 1.00 0.00 C ATOM 336 CG GLU A 24 -1.547 1.347 9.488 1.00 0.00 C ATOM 337 CD GLU A 24 -1.836 2.521 10.426 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.987 2.993 10.531 1.00 0.00 O ATOM 339 OE2 GLU A 24 -0.891 2.943 11.133 1.00 0.00 O ATOM 0 H GLU A 24 -3.063 3.750 6.853 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.804 1.898 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.429 1.646 8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.561 0.215 7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.652 0.420 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.507 1.409 9.167 1.00 0.00 H new ATOM 346 N ILE A 25 -1.871 0.634 5.040 1.00 0.00 N ATOM 347 CA ILE A 25 -2.389 -0.049 3.866 1.00 0.00 C ATOM 348 C ILE A 25 -1.941 -1.503 3.966 1.00 0.00 C ATOM 349 O ILE A 25 -0.797 -1.843 3.647 1.00 0.00 O ATOM 350 CB ILE A 25 -1.921 0.615 2.552 1.00 0.00 C ATOM 351 CG1 ILE A 25 -2.330 2.098 2.483 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.536 -0.123 1.347 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.822 2.829 1.240 1.00 0.00 C ATOM 0 H ILE A 25 -0.910 0.371 5.259 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.477 0.013 3.840 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.833 0.554 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.418 2.165 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.955 2.609 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.203 0.349 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.217 -1.165 1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.623 -0.075 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.153 3.867 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.733 2.796 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.218 2.346 0.347 1.00 0.00 H new ATOM 365 N THR A 26 -2.844 -2.385 4.383 1.00 0.00 N ATOM 366 CA THR A 26 -2.641 -3.806 4.159 1.00 0.00 C ATOM 367 C THR A 26 -2.820 -4.074 2.656 1.00 0.00 C ATOM 368 O THR A 26 -3.808 -3.634 2.060 1.00 0.00 O ATOM 369 CB THR A 26 -3.606 -4.657 5.008 1.00 0.00 C ATOM 370 OG1 THR A 26 -4.400 -3.880 5.897 1.00 0.00 O ATOM 371 CG2 THR A 26 -2.810 -5.679 5.819 1.00 0.00 C ATOM 0 H THR A 26 -3.708 -2.144 4.869 1.00 0.00 H new ATOM 0 HA THR A 26 -1.636 -4.093 4.470 1.00 0.00 H new ATOM 0 HB THR A 26 -4.284 -5.151 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.993 -4.470 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.494 -6.280 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.255 -6.328 5.142 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.113 -5.159 6.476 1.00 0.00 H new ATOM 379 N VAL A 27 -1.912 -4.820 2.031 1.00 0.00 N ATOM 380 CA VAL A 27 -1.905 -5.153 0.614 1.00 0.00 C ATOM 381 C VAL A 27 -1.797 -6.663 0.482 1.00 0.00 C ATOM 382 O VAL A 27 -0.951 -7.296 1.116 1.00 0.00 O ATOM 383 CB VAL A 27 -0.714 -4.504 -0.111 1.00 0.00 C ATOM 384 CG1 VAL A 27 -0.929 -4.538 -1.632 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.432 -3.058 0.281 1.00 0.00 C ATOM 0 H VAL A 27 -1.121 -5.229 2.528 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.823 -4.779 0.161 1.00 0.00 H new ATOM 0 HB VAL A 27 0.146 -5.099 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.077 -4.075 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.025 -5.572 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.838 -3.991 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.425 -2.689 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.305 -2.444 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.214 -3.006 1.348 1.00 0.00 H new ATOM 395 N GLN A 28 -2.625 -7.238 -0.377 1.00 0.00 N ATOM 396 CA GLN A 28 -2.715 -8.677 -0.542 1.00 0.00 C ATOM 397 C GLN A 28 -1.818 -9.155 -1.691 1.00 0.00 C ATOM 398 O GLN A 28 -1.386 -8.337 -2.518 1.00 0.00 O ATOM 399 CB GLN A 28 -4.198 -9.024 -0.763 1.00 0.00 C ATOM 400 CG GLN A 28 -5.096 -8.371 0.303 1.00 0.00 C ATOM 401 CD GLN A 28 -6.408 -9.111 0.489 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.001 -9.648 -0.441 1.00 0.00 O ATOM 403 NE2 GLN A 28 -6.864 -9.250 1.714 1.00 0.00 N ATOM 0 H GLN A 28 -3.257 -6.714 -0.982 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.354 -9.195 0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.507 -8.691 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.327 -10.106 -0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.563 -8.339 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.302 -7.339 0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.377 -8.807 2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.705 -9.801 1.886 1.00 0.00 H new ATOM 412 N PRO A 29 -1.518 -10.459 -1.751 1.00 0.00 N ATOM 413 CA PRO A 29 -0.819 -11.043 -2.882 1.00 0.00 C ATOM 414 C PRO A 29 -1.719 -11.002 -4.120 1.00 0.00 C ATOM 415 O PRO A 29 -2.941 -11.074 -4.002 1.00 0.00 O ATOM 416 CB PRO A 29 -0.482 -12.474 -2.440 1.00 0.00 C ATOM 417 CG PRO A 29 -1.541 -12.806 -1.393 1.00 0.00 C ATOM 418 CD PRO A 29 -1.780 -11.463 -0.727 1.00 0.00 C ATOM 0 HA PRO A 29 0.088 -10.506 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.521 -13.169 -3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.523 -12.535 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.450 -13.201 -1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.188 -13.554 -0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.802 -11.387 -0.357 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.120 -11.329 0.130 1.00 0.00 H new ATOM 426 N ASN A 30 -1.110 -10.940 -5.307 1.00 0.00 N ATOM 427 CA ASN A 30 -1.743 -11.125 -6.615 1.00 0.00 C ATOM 428 C ASN A 30 -2.977 -10.228 -6.832 1.00 0.00 C ATOM 429 O ASN A 30 -3.958 -10.665 -7.443 1.00 0.00 O ATOM 430 CB ASN A 30 -2.082 -12.609 -6.848 1.00 0.00 C ATOM 431 CG ASN A 30 -0.928 -13.571 -6.618 1.00 0.00 C ATOM 432 OD1 ASN A 30 -0.009 -13.669 -7.429 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.961 -14.331 -5.540 1.00 0.00 N ATOM 0 H ASN A 30 -0.111 -10.750 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.013 -10.809 -7.360 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.905 -12.887 -6.189 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.438 -12.729 -7.871 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.218 -15.010 -5.372 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.729 -14.240 -4.875 1.00 0.00 H new ATOM 440 N ILE A 31 -2.945 -8.973 -6.356 1.00 0.00 N ATOM 441 CA ILE A 31 -4.128 -8.110 -6.199 1.00 0.00 C ATOM 442 C ILE A 31 -4.044 -6.804 -7.026 1.00 0.00 C ATOM 443 O ILE A 31 -4.955 -5.974 -6.949 1.00 0.00 O ATOM 444 CB ILE A 31 -4.380 -7.894 -4.681 1.00 0.00 C ATOM 445 CG1 ILE A 31 -5.834 -7.564 -4.285 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.475 -6.788 -4.136 1.00 0.00 C ATOM 447 CD1 ILE A 31 -6.757 -8.780 -4.289 1.00 0.00 C ATOM 0 H ILE A 31 -2.079 -8.520 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.001 -8.608 -6.621 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.151 -8.864 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.839 -7.117 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.229 -6.816 -4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.667 -6.652 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.431 -7.066 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.681 -5.857 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.763 -8.474 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.782 -9.215 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.386 -9.521 -3.580 1.00 0.00 H new ATOM 459 N GLY A 32 -2.970 -6.577 -7.792 1.00 0.00 N ATOM 460 CA GLY A 32 -2.821 -5.460 -8.732 1.00 0.00 C ATOM 461 C GLY A 32 -1.437 -4.808 -8.651 1.00 0.00 C ATOM 462 O GLY A 32 -0.672 -5.063 -7.709 1.00 0.00 O ATOM 0 H GLY A 32 -2.153 -7.187 -7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.992 -5.818 -9.747 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.585 -4.711 -8.525 1.00 0.00 H new ATOM 466 N LEU A 33 -1.118 -3.932 -9.606 1.00 0.00 N ATOM 467 CA LEU A 33 0.205 -3.324 -9.761 1.00 0.00 C ATOM 468 C LEU A 33 0.434 -2.191 -8.766 1.00 0.00 C ATOM 469 O LEU A 33 -0.410 -1.301 -8.624 1.00 0.00 O ATOM 470 CB LEU A 33 0.369 -2.779 -11.191 1.00 0.00 C ATOM 471 CG LEU A 33 1.842 -2.582 -11.584 1.00 0.00 C ATOM 472 CD1 LEU A 33 2.439 -3.909 -12.031 1.00 0.00 C ATOM 473 CD2 LEU A 33 1.986 -1.608 -12.745 1.00 0.00 C ATOM 0 H LEU A 33 -1.787 -3.619 -10.309 1.00 0.00 H new ATOM 0 HA LEU A 33 0.943 -4.102 -9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.102 -3.466 -11.894 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.156 -1.828 -11.276 1.00 0.00 H new ATOM 0 HG LEU A 33 2.358 -2.188 -10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.483 -3.763 -12.308 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.377 -4.629 -11.215 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.885 -4.286 -12.890 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.041 -1.493 -12.995 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.447 -1.992 -13.611 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.573 -0.640 -12.461 1.00 0.00 H new ATOM 485 N LEU A 34 1.597 -2.217 -8.111 1.00 0.00 N ATOM 486 CA LEU A 34 2.193 -1.110 -7.372 1.00 0.00 C ATOM 487 C LEU A 34 2.925 -0.230 -8.388 1.00 0.00 C ATOM 488 O LEU A 34 4.140 -0.349 -8.548 1.00 0.00 O ATOM 489 CB LEU A 34 3.175 -1.687 -6.331 1.00 0.00 C ATOM 490 CG LEU A 34 2.493 -2.187 -5.051 1.00 0.00 C ATOM 491 CD1 LEU A 34 3.391 -3.090 -4.205 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.052 -1.025 -4.157 1.00 0.00 C ATOM 0 H LEU A 34 2.176 -3.056 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 34 1.444 -0.518 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.728 -2.511 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.904 -0.920 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 34 1.633 -2.758 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.850 -3.410 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.680 -3.965 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.284 -2.540 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.573 -1.418 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.922 -0.433 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.346 -0.396 -4.700 1.00 0.00 H new ATOM 504 N TYR A 35 2.188 0.597 -9.136 1.00 0.00 N ATOM 505 CA TYR A 35 2.822 1.478 -10.110 1.00 0.00 C ATOM 506 C TYR A 35 3.621 2.577 -9.395 1.00 0.00 C ATOM 507 O TYR A 35 3.440 2.848 -8.200 1.00 0.00 O ATOM 508 CB TYR A 35 1.808 2.081 -11.096 1.00 0.00 C ATOM 509 CG TYR A 35 0.698 2.940 -10.528 1.00 0.00 C ATOM 510 CD1 TYR A 35 -0.525 2.346 -10.175 1.00 0.00 C ATOM 511 CD2 TYR A 35 0.844 4.336 -10.452 1.00 0.00 C ATOM 512 CE1 TYR A 35 -1.587 3.143 -9.711 1.00 0.00 C ATOM 513 CE2 TYR A 35 -0.213 5.137 -9.985 1.00 0.00 C ATOM 514 CZ TYR A 35 -1.430 4.542 -9.595 1.00 0.00 C ATOM 515 OH TYR A 35 -2.431 5.311 -9.098 1.00 0.00 O ATOM 0 H TYR A 35 1.172 0.672 -9.085 1.00 0.00 H new ATOM 0 HA TYR A 35 3.510 0.874 -10.701 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.360 2.682 -11.819 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.348 1.261 -11.648 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.650 1.277 -10.260 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.773 4.796 -10.754 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.527 2.683 -9.442 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.092 6.209 -9.925 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.149 6.250 -9.089 1.00 0.00 H new ATOM 525 N ASP A 36 4.498 3.234 -10.150 1.00 0.00 N ATOM 526 CA ASP A 36 5.280 4.384 -9.723 1.00 0.00 C ATOM 527 C ASP A 36 4.359 5.585 -9.475 1.00 0.00 C ATOM 528 O ASP A 36 3.731 6.103 -10.403 1.00 0.00 O ATOM 529 CB ASP A 36 6.428 4.669 -10.711 1.00 0.00 C ATOM 530 CG ASP A 36 6.022 4.918 -12.166 1.00 0.00 C ATOM 531 OD1 ASP A 36 5.300 4.068 -12.748 1.00 0.00 O ATOM 532 OD2 ASP A 36 6.552 5.860 -12.785 1.00 0.00 O ATOM 0 H ASP A 36 4.689 2.966 -11.115 1.00 0.00 H new ATOM 0 HA ASP A 36 5.764 4.165 -8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.978 5.540 -10.355 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.118 3.825 -10.687 1.00 0.00 H new ATOM 537 N GLY A 37 4.220 5.971 -8.201 1.00 0.00 N ATOM 538 CA GLY A 37 3.430 7.120 -7.772 1.00 0.00 C ATOM 539 C GLY A 37 2.084 6.764 -7.133 1.00 0.00 C ATOM 540 O GLY A 37 1.260 7.653 -6.913 1.00 0.00 O ATOM 0 H GLY A 37 4.665 5.479 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.014 7.700 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.250 7.763 -8.634 1.00 0.00 H new ATOM 544 N MET A 38 1.837 5.487 -6.814 1.00 0.00 N ATOM 545 CA MET A 38 0.533 4.965 -6.373 1.00 0.00 C ATOM 546 C MET A 38 -0.100 5.711 -5.194 1.00 0.00 C ATOM 547 O MET A 38 -1.316 5.622 -5.010 1.00 0.00 O ATOM 548 CB MET A 38 0.653 3.481 -5.971 1.00 0.00 C ATOM 549 CG MET A 38 -0.169 2.552 -6.863 1.00 0.00 C ATOM 550 SD MET A 38 -0.674 0.978 -6.112 1.00 0.00 S ATOM 551 CE MET A 38 -2.122 1.557 -5.203 1.00 0.00 C ATOM 0 H MET A 38 2.558 4.767 -6.856 1.00 0.00 H new ATOM 0 HA MET A 38 -0.117 5.108 -7.236 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.701 3.183 -6.013 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.329 3.363 -4.937 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.065 3.085 -7.182 1.00 0.00 H new ATOM 0 HG3 MET A 38 0.410 2.335 -7.761 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.186 1.033 -4.249 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.034 2.628 -5.023 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.021 1.360 -5.787 1.00 0.00 H new ATOM 561 N PHE A 39 0.703 6.391 -4.375 1.00 0.00 N ATOM 562 CA PHE A 39 0.299 6.962 -3.097 1.00 0.00 C ATOM 563 C PHE A 39 0.668 8.455 -3.026 1.00 0.00 C ATOM 564 O PHE A 39 0.788 9.012 -1.937 1.00 0.00 O ATOM 565 CB PHE A 39 0.922 6.139 -1.953 1.00 0.00 C ATOM 566 CG PHE A 39 0.902 4.622 -2.113 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.312 3.929 -1.935 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.075 3.888 -2.416 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.354 2.529 -2.041 1.00 0.00 C ATOM 570 CE2 PHE A 39 2.030 2.491 -2.526 1.00 0.00 C ATOM 571 CZ PHE A 39 0.817 1.811 -2.330 1.00 0.00 C ATOM 0 H PHE A 39 1.684 6.563 -4.593 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.785 6.911 -2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.958 6.455 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.401 6.391 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.216 4.478 -1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.010 4.408 -2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.288 2.005 -1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.928 1.938 -2.761 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.785 0.734 -2.402 1.00 0.00 H new ATOM 581 N SER A 40 0.888 9.102 -4.178 1.00 0.00 N ATOM 582 CA SER A 40 1.319 10.496 -4.285 1.00 0.00 C ATOM 583 C SER A 40 0.251 11.440 -3.709 1.00 0.00 C ATOM 584 O SER A 40 -0.698 11.818 -4.402 1.00 0.00 O ATOM 585 CB SER A 40 1.677 10.809 -5.748 1.00 0.00 C ATOM 586 OG SER A 40 2.355 12.046 -5.863 1.00 0.00 O ATOM 0 H SER A 40 0.767 8.654 -5.086 1.00 0.00 H new ATOM 0 HA SER A 40 2.217 10.657 -3.688 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.302 10.011 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.768 10.834 -6.349 1.00 0.00 H new ATOM 0 HG SER A 40 2.570 12.215 -6.804 1.00 0.00 H new ATOM 592 N GLY A 41 0.400 11.797 -2.433 1.00 0.00 N ATOM 593 CA GLY A 41 -0.512 12.637 -1.668 1.00 0.00 C ATOM 594 C GLY A 41 -0.892 12.026 -0.319 1.00 0.00 C ATOM 595 O GLY A 41 -1.592 12.663 0.467 1.00 0.00 O ATOM 0 H GLY A 41 1.201 11.491 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.050 13.610 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.417 12.808 -2.252 1.00 0.00 H new ATOM 599 N CYS A 42 -0.523 10.780 -0.021 1.00 0.00 N ATOM 600 CA CYS A 42 -0.880 10.129 1.237 1.00 0.00 C ATOM 601 C CYS A 42 0.113 10.547 2.330 1.00 0.00 C ATOM 602 O CYS A 42 0.943 9.741 2.738 1.00 0.00 O ATOM 603 CB CYS A 42 -0.925 8.610 1.032 1.00 0.00 C ATOM 604 SG CYS A 42 -2.153 8.153 -0.223 1.00 0.00 S ATOM 0 H CYS A 42 0.032 10.195 -0.646 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.872 10.443 1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.059 8.252 0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.166 8.120 1.975 1.00 0.00 H new ATOM 0 HG CYS A 42 -2.162 6.862 -0.371 1.00 0.00 H new ATOM 610 N THR A 43 0.081 11.800 2.792 1.00 0.00 N ATOM 611 CA THR A 43 1.176 12.303 3.620 1.00 0.00 C ATOM 612 C THR A 43 1.267 11.615 4.995 1.00 0.00 C ATOM 613 O THR A 43 2.360 11.521 5.561 1.00 0.00 O ATOM 614 CB THR A 43 1.183 13.845 3.692 1.00 0.00 C ATOM 615 OG1 THR A 43 0.147 14.433 4.455 1.00 0.00 O ATOM 616 CG2 THR A 43 1.152 14.491 2.302 1.00 0.00 C ATOM 0 H THR A 43 -0.669 12.467 2.613 1.00 0.00 H new ATOM 0 HA THR A 43 2.101 12.022 3.116 1.00 0.00 H new ATOM 0 HB THR A 43 2.123 14.046 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.242 15.408 4.439 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.158 15.576 2.405 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.027 14.175 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.248 14.181 1.777 1.00 0.00 H new ATOM 624 N ALA A 44 0.169 11.066 5.535 1.00 0.00 N ATOM 625 CA ALA A 44 0.198 10.345 6.808 1.00 0.00 C ATOM 626 C ALA A 44 0.594 8.868 6.656 1.00 0.00 C ATOM 627 O ALA A 44 0.640 8.135 7.650 1.00 0.00 O ATOM 628 CB ALA A 44 -1.172 10.466 7.479 1.00 0.00 C ATOM 0 H ALA A 44 -0.754 11.110 5.103 1.00 0.00 H new ATOM 0 HA ALA A 44 0.968 10.801 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.160 9.932 8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.398 11.517 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.934 10.035 6.830 1.00 0.00 H new ATOM 634 N LEU A 45 0.820 8.393 5.431 1.00 0.00 N ATOM 635 CA LEU A 45 1.038 6.986 5.130 1.00 0.00 C ATOM 636 C LEU A 45 2.484 6.608 5.406 1.00 0.00 C ATOM 637 O LEU A 45 3.384 7.178 4.788 1.00 0.00 O ATOM 638 CB LEU A 45 0.695 6.747 3.662 1.00 0.00 C ATOM 639 CG LEU A 45 0.878 5.308 3.178 1.00 0.00 C ATOM 640 CD1 LEU A 45 -0.095 4.369 3.897 1.00 0.00 C ATOM 641 CD2 LEU A 45 0.646 5.323 1.663 1.00 0.00 C ATOM 0 H LEU A 45 0.857 8.992 4.606 1.00 0.00 H new ATOM 0 HA LEU A 45 0.402 6.367 5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.341 7.041 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.315 7.401 3.049 1.00 0.00 H new ATOM 0 HG LEU A 45 1.878 4.936 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.051 3.350 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.090 4.406 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.119 4.682 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.766 4.315 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.363 5.678 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.370 5.987 1.191 1.00 0.00 H new ATOM 653 N GLU A 46 2.698 5.653 6.317 1.00 0.00 N ATOM 654 CA GLU A 46 4.031 5.211 6.726 1.00 0.00 C ATOM 655 C GLU A 46 4.099 3.684 6.944 1.00 0.00 C ATOM 656 O GLU A 46 5.162 3.154 7.270 1.00 0.00 O ATOM 657 CB GLU A 46 4.520 5.975 7.968 1.00 0.00 C ATOM 658 CG GLU A 46 4.347 7.503 7.852 1.00 0.00 C ATOM 659 CD GLU A 46 4.985 8.231 9.020 1.00 0.00 C ATOM 660 OE1 GLU A 46 4.666 7.910 10.191 1.00 0.00 O ATOM 661 OE2 GLU A 46 5.851 9.105 8.797 1.00 0.00 O ATOM 0 H GLU A 46 1.942 5.162 6.794 1.00 0.00 H new ATOM 0 HA GLU A 46 4.707 5.445 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.975 5.620 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.573 5.747 8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.793 7.850 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.285 7.747 7.808 1.00 0.00 H new ATOM 668 N LYS A 47 3.015 2.929 6.699 1.00 0.00 N ATOM 669 CA LYS A 47 3.062 1.463 6.662 1.00 0.00 C ATOM 670 C LYS A 47 2.470 0.926 5.366 1.00 0.00 C ATOM 671 O LYS A 47 1.620 1.573 4.753 1.00 0.00 O ATOM 672 CB LYS A 47 2.345 0.854 7.874 1.00 0.00 C ATOM 673 CG LYS A 47 3.186 0.928 9.160 1.00 0.00 C ATOM 674 CD LYS A 47 2.747 -0.169 10.142 1.00 0.00 C ATOM 675 CE LYS A 47 3.628 -0.241 11.392 1.00 0.00 C ATOM 676 NZ LYS A 47 3.412 0.892 12.310 1.00 0.00 N ATOM 0 H LYS A 47 2.089 3.317 6.522 1.00 0.00 H new ATOM 0 HA LYS A 47 4.111 1.168 6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.401 1.375 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.103 -0.188 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.243 0.810 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.071 1.908 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.715 0.011 10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.767 -1.133 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.427 -1.173 11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.676 -0.265 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.034 0.792 13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.630 1.783 11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.420 0.902 12.622 1.00 0.00 H new ATOM 690 N LEU A 48 2.921 -0.264 4.976 1.00 0.00 N ATOM 691 CA LEU A 48 2.529 -1.099 3.852 1.00 0.00 C ATOM 692 C LEU A 48 2.692 -2.530 4.374 1.00 0.00 C ATOM 693 O LEU A 48 3.819 -3.015 4.492 1.00 0.00 O ATOM 694 CB LEU A 48 3.438 -0.832 2.625 1.00 0.00 C ATOM 695 CG LEU A 48 2.919 -1.471 1.317 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.882 -0.591 0.621 1.00 0.00 C ATOM 697 CD2 LEU A 48 4.043 -1.685 0.298 1.00 0.00 C ATOM 0 H LEU A 48 3.662 -0.718 5.510 1.00 0.00 H new ATOM 0 HA LEU A 48 1.513 -0.901 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.532 0.244 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.437 -1.214 2.834 1.00 0.00 H new ATOM 0 HG LEU A 48 2.482 -2.421 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.545 -1.079 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.031 -0.437 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.329 0.372 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.634 -2.136 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.498 -0.726 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.798 -2.346 0.723 1.00 0.00 H new ATOM 709 N ILE A 49 1.611 -3.205 4.769 1.00 0.00 N ATOM 710 CA ILE A 49 1.689 -4.551 5.357 1.00 0.00 C ATOM 711 C ILE A 49 1.223 -5.554 4.307 1.00 0.00 C ATOM 712 O ILE A 49 0.151 -5.414 3.731 1.00 0.00 O ATOM 713 CB ILE A 49 0.893 -4.642 6.677 1.00 0.00 C ATOM 714 CG1 ILE A 49 1.530 -3.767 7.784 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.845 -6.106 7.152 1.00 0.00 C ATOM 716 CD1 ILE A 49 0.586 -3.512 8.957 1.00 0.00 C ATOM 0 H ILE A 49 0.661 -2.841 4.693 1.00 0.00 H new ATOM 0 HA ILE A 49 2.718 -4.785 5.632 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.115 -4.274 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.433 -4.255 8.151 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.835 -2.812 7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.283 -6.168 8.084 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.359 -6.719 6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.860 -6.469 7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.088 -2.893 9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.307 -2.998 8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.301 -4.462 9.408 1.00 0.00 H new ATOM 728 N LEU A 50 2.053 -6.541 3.993 1.00 0.00 N ATOM 729 CA LEU A 50 1.897 -7.442 2.871 1.00 0.00 C ATOM 730 C LEU A 50 1.346 -8.764 3.404 1.00 0.00 C ATOM 731 O LEU A 50 2.066 -9.490 4.081 1.00 0.00 O ATOM 732 CB LEU A 50 3.277 -7.621 2.209 1.00 0.00 C ATOM 733 CG LEU A 50 3.834 -6.421 1.409 1.00 0.00 C ATOM 734 CD1 LEU A 50 3.763 -5.034 2.022 1.00 0.00 C ATOM 735 CD2 LEU A 50 5.119 -6.715 0.648 1.00 0.00 C ATOM 0 H LEU A 50 2.889 -6.739 4.542 1.00 0.00 H new ATOM 0 HA LEU A 50 1.205 -7.056 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.996 -7.871 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.222 -8.479 1.539 1.00 0.00 H new ATOM 0 HG LEU A 50 3.052 -6.321 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.195 -4.309 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.722 -4.775 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.320 -5.021 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.439 -5.820 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.896 -7.017 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.943 -7.519 -0.067 1.00 0.00 H new ATOM 747 N THR A 51 0.076 -9.075 3.137 1.00 0.00 N ATOM 748 CA THR A 51 -0.609 -10.260 3.657 1.00 0.00 C ATOM 749 C THR A 51 -0.232 -11.571 2.929 1.00 0.00 C ATOM 750 O THR A 51 -1.021 -12.517 2.951 1.00 0.00 O ATOM 751 CB THR A 51 -2.139 -10.025 3.720 1.00 0.00 C ATOM 752 OG1 THR A 51 -2.781 -10.123 2.469 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.530 -8.659 4.281 1.00 0.00 C ATOM 0 H THR A 51 -0.517 -8.498 2.541 1.00 0.00 H new ATOM 0 HA THR A 51 -0.251 -10.407 4.676 1.00 0.00 H new ATOM 0 HB THR A 51 -2.467 -10.824 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.742 -9.966 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.616 -8.568 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.145 -8.559 5.296 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.108 -7.874 3.654 1.00 0.00 H new ATOM 761 N GLY A 52 0.896 -11.641 2.218 1.00 0.00 N ATOM 762 CA GLY A 52 1.247 -12.762 1.352 1.00 0.00 C ATOM 763 C GLY A 52 2.612 -13.353 1.689 1.00 0.00 C ATOM 764 O GLY A 52 3.453 -12.712 2.318 1.00 0.00 O ATOM 0 H GLY A 52 1.602 -10.905 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.486 -13.538 1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.244 -12.430 0.314 1.00 0.00 H new ATOM 768 N GLU A 53 2.820 -14.580 1.229 1.00 0.00 N ATOM 769 CA GLU A 53 3.911 -15.457 1.625 1.00 0.00 C ATOM 770 C GLU A 53 5.090 -15.424 0.647 1.00 0.00 C ATOM 771 O GLU A 53 6.080 -16.111 0.902 1.00 0.00 O ATOM 772 CB GLU A 53 3.375 -16.896 1.724 1.00 0.00 C ATOM 773 CG GLU A 53 2.607 -17.154 3.023 1.00 0.00 C ATOM 774 CD GLU A 53 1.860 -18.489 2.939 1.00 0.00 C ATOM 775 OE1 GLU A 53 2.494 -19.573 2.973 1.00 0.00 O ATOM 776 OE2 GLU A 53 0.625 -18.466 2.736 1.00 0.00 O ATOM 0 H GLU A 53 2.204 -15.009 0.538 1.00 0.00 H new ATOM 0 HA GLU A 53 4.285 -15.104 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.721 -17.095 0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.208 -17.595 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.298 -17.168 3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.900 -16.344 3.203 1.00 0.00 H new ATOM 783 N ASP A 54 5.004 -14.706 -0.478 1.00 0.00 N ATOM 784 CA ASP A 54 6.004 -14.758 -1.554 1.00 0.00 C ATOM 785 C ASP A 54 6.184 -13.373 -2.183 1.00 0.00 C ATOM 786 O ASP A 54 5.214 -12.609 -2.233 1.00 0.00 O ATOM 787 CB ASP A 54 5.568 -15.764 -2.640 1.00 0.00 C ATOM 788 CG ASP A 54 6.718 -16.673 -3.075 1.00 0.00 C ATOM 789 OD1 ASP A 54 7.080 -17.574 -2.288 1.00 0.00 O ATOM 790 OD2 ASP A 54 7.227 -16.547 -4.208 1.00 0.00 O ATOM 0 H ASP A 54 4.233 -14.067 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 54 6.953 -15.081 -1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.748 -16.374 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.188 -15.221 -3.505 1.00 0.00 H new ATOM 795 N PRO A 55 7.391 -13.035 -2.672 1.00 0.00 N ATOM 796 CA PRO A 55 7.646 -11.777 -3.367 1.00 0.00 C ATOM 797 C PRO A 55 7.006 -11.736 -4.751 1.00 0.00 C ATOM 798 O PRO A 55 6.484 -10.690 -5.141 1.00 0.00 O ATOM 799 CB PRO A 55 9.168 -11.641 -3.439 1.00 0.00 C ATOM 800 CG PRO A 55 9.692 -13.065 -3.287 1.00 0.00 C ATOM 801 CD PRO A 55 8.630 -13.771 -2.462 1.00 0.00 C ATOM 0 HA PRO A 55 7.197 -10.941 -2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.482 -11.203 -4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.546 -10.994 -2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.826 -13.545 -4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.660 -13.081 -2.786 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.522 -14.810 -2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.901 -13.782 -1.406 1.00 0.00 H new ATOM 809 N SER A 56 6.977 -12.861 -5.474 1.00 0.00 N ATOM 810 CA SER A 56 6.535 -12.903 -6.866 1.00 0.00 C ATOM 811 C SER A 56 5.087 -12.409 -7.038 1.00 0.00 C ATOM 812 O SER A 56 4.704 -11.927 -8.106 1.00 0.00 O ATOM 813 CB SER A 56 6.677 -14.335 -7.398 1.00 0.00 C ATOM 814 OG SER A 56 7.742 -15.065 -6.804 1.00 0.00 O ATOM 0 H SER A 56 7.261 -13.769 -5.106 1.00 0.00 H new ATOM 0 HA SER A 56 7.168 -12.226 -7.439 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.743 -14.870 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.831 -14.298 -8.476 1.00 0.00 H new ATOM 0 HG SER A 56 7.416 -15.525 -6.002 1.00 0.00 H new ATOM 820 N ALA A 57 4.282 -12.516 -5.976 1.00 0.00 N ATOM 821 CA ALA A 57 2.895 -12.093 -5.919 1.00 0.00 C ATOM 822 C ALA A 57 2.725 -10.571 -5.748 1.00 0.00 C ATOM 823 O ALA A 57 1.584 -10.105 -5.684 1.00 0.00 O ATOM 824 CB ALA A 57 2.223 -12.843 -4.767 1.00 0.00 C ATOM 0 H ALA A 57 4.603 -12.920 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 57 2.425 -12.331 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.177 -12.545 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.283 -13.916 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.730 -12.603 -3.832 1.00 0.00 H new ATOM 830 N TYR A 58 3.804 -9.790 -5.640 1.00 0.00 N ATOM 831 CA TYR A 58 3.771 -8.347 -5.430 1.00 0.00 C ATOM 832 C TYR A 58 4.644 -7.691 -6.494 1.00 0.00 C ATOM 833 O TYR A 58 5.800 -8.066 -6.694 1.00 0.00 O ATOM 834 CB TYR A 58 4.243 -7.976 -4.013 1.00 0.00 C ATOM 835 CG TYR A 58 3.275 -8.329 -2.901 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.091 -9.672 -2.536 1.00 0.00 C ATOM 837 CD2 TYR A 58 2.601 -7.310 -2.199 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.222 -10.007 -1.484 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.693 -7.640 -1.181 1.00 0.00 C ATOM 840 CZ TYR A 58 1.507 -8.992 -0.818 1.00 0.00 C ATOM 841 OH TYR A 58 0.657 -9.310 0.191 1.00 0.00 O ATOM 0 H TYR A 58 4.753 -10.160 -5.699 1.00 0.00 H new ATOM 0 HA TYR A 58 2.747 -7.986 -5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.192 -8.476 -3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.435 -6.904 -3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.619 -10.451 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.783 -6.274 -2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.103 -11.038 -1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.138 -6.862 -0.677 1.00 0.00 H new ATOM 0 HH TYR A 58 0.085 -8.540 0.392 1.00 0.00 H new ATOM 851 N SER A 59 4.070 -6.730 -7.208 1.00 0.00 N ATOM 852 CA SER A 59 4.731 -5.908 -8.217 1.00 0.00 C ATOM 853 C SER A 59 5.420 -4.716 -7.551 1.00 0.00 C ATOM 854 O SER A 59 5.116 -4.436 -6.392 1.00 0.00 O ATOM 855 CB SER A 59 3.661 -5.373 -9.178 1.00 0.00 C ATOM 856 OG SER A 59 2.469 -6.157 -9.185 1.00 0.00 O ATOM 0 H SER A 59 3.085 -6.491 -7.095 1.00 0.00 H new ATOM 0 HA SER A 59 5.472 -6.506 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.413 -4.348 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.072 -5.340 -10.187 1.00 0.00 H new ATOM 0 HG SER A 59 2.311 -6.504 -10.088 1.00 0.00 H new ATOM 862 N ALA A 60 6.216 -3.940 -8.291 1.00 0.00 N ATOM 863 CA ALA A 60 6.596 -2.572 -7.942 1.00 0.00 C ATOM 864 C ALA A 60 7.290 -1.908 -9.140 1.00 0.00 C ATOM 865 O ALA A 60 8.032 -2.563 -9.883 1.00 0.00 O ATOM 866 CB ALA A 60 7.567 -2.596 -6.772 1.00 0.00 C ATOM 0 H ALA A 60 6.623 -4.255 -9.171 1.00 0.00 H new ATOM 0 HA ALA A 60 5.700 -2.012 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.850 -1.576 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.091 -3.070 -5.914 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.458 -3.160 -7.050 1.00 0.00 H new ATOM 872 N GLY A 61 7.103 -0.599 -9.297 1.00 0.00 N ATOM 873 CA GLY A 61 7.901 0.254 -10.157 1.00 0.00 C ATOM 874 C GLY A 61 8.973 0.955 -9.329 1.00 0.00 C ATOM 875 O GLY A 61 9.140 0.686 -8.137 1.00 0.00 O ATOM 0 H GLY A 61 6.365 -0.091 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.365 -0.339 -10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.265 0.992 -10.646 1.00 0.00 H new ATOM 879 N ASP A 62 9.691 1.880 -9.959 1.00 0.00 N ATOM 880 CA ASP A 62 10.734 2.688 -9.320 1.00 0.00 C ATOM 881 C ASP A 62 10.114 3.494 -8.186 1.00 0.00 C ATOM 882 O ASP A 62 10.596 3.506 -7.051 1.00 0.00 O ATOM 883 CB ASP A 62 11.357 3.670 -10.323 1.00 0.00 C ATOM 884 CG ASP A 62 12.290 2.994 -11.321 1.00 0.00 C ATOM 885 OD1 ASP A 62 13.413 2.621 -10.909 1.00 0.00 O ATOM 886 OD2 ASP A 62 11.872 2.857 -12.493 1.00 0.00 O ATOM 0 H ASP A 62 9.564 2.096 -10.948 1.00 0.00 H new ATOM 0 HA ASP A 62 11.508 2.018 -8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.561 4.179 -10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.910 4.435 -9.778 1.00 0.00 H new ATOM 891 N GLY A 63 8.998 4.155 -8.489 1.00 0.00 N ATOM 892 CA GLY A 63 8.273 4.996 -7.561 1.00 0.00 C ATOM 893 C GLY A 63 7.302 4.201 -6.697 1.00 0.00 C ATOM 894 O GLY A 63 6.226 4.729 -6.417 1.00 0.00 O ATOM 0 H GLY A 63 8.568 4.114 -9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.981 5.520 -6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.723 5.756 -8.116 1.00 0.00 H new ATOM 898 N LEU A 64 7.652 2.970 -6.282 1.00 0.00 N ATOM 899 CA LEU A 64 6.834 2.124 -5.399 1.00 0.00 C ATOM 900 C LEU A 64 6.312 3.013 -4.260 1.00 0.00 C ATOM 901 O LEU A 64 5.104 3.185 -4.079 1.00 0.00 O ATOM 902 CB LEU A 64 7.655 0.946 -4.833 1.00 0.00 C ATOM 903 CG LEU A 64 6.803 -0.212 -4.261 1.00 0.00 C ATOM 904 CD1 LEU A 64 7.699 -1.316 -3.698 1.00 0.00 C ATOM 905 CD2 LEU A 64 5.832 0.157 -3.137 1.00 0.00 C ATOM 0 H LEU A 64 8.529 2.528 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 64 6.006 1.692 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.296 0.553 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.311 1.321 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 64 6.213 -0.526 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.080 -2.120 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.337 -1.707 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.320 -0.909 -2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.291 -0.733 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.389 0.565 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.123 0.902 -3.498 1.00 0.00 H new ATOM 917 N ARG A 65 7.252 3.649 -3.555 1.00 0.00 N ATOM 918 CA ARG A 65 7.009 4.504 -2.399 1.00 0.00 C ATOM 919 C ARG A 65 7.138 5.993 -2.713 1.00 0.00 C ATOM 920 O ARG A 65 7.442 6.770 -1.813 1.00 0.00 O ATOM 921 CB ARG A 65 7.876 4.017 -1.226 1.00 0.00 C ATOM 922 CG ARG A 65 9.413 3.989 -1.431 1.00 0.00 C ATOM 923 CD ARG A 65 10.203 5.079 -0.688 1.00 0.00 C ATOM 924 NE ARG A 65 10.189 6.383 -1.372 1.00 0.00 N ATOM 925 CZ ARG A 65 11.165 6.934 -2.107 1.00 0.00 C ATOM 926 NH1 ARG A 65 12.295 6.274 -2.348 1.00 0.00 N ATOM 927 NH2 ARG A 65 10.996 8.149 -2.607 1.00 0.00 N ATOM 0 H ARG A 65 8.243 3.576 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 65 5.966 4.412 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.664 4.651 -0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.554 3.009 -0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.786 3.015 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.621 4.078 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.789 5.198 0.313 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.236 4.751 -0.569 1.00 0.00 H new ATOM 0 HE ARG A 65 9.335 6.932 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.428 5.335 -1.972 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.029 6.707 -2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.129 8.657 -2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.733 8.577 -3.168 1.00 0.00 H new ATOM 941 N ASP A 66 6.939 6.421 -3.962 1.00 0.00 N ATOM 942 CA ASP A 66 6.995 7.844 -4.311 1.00 0.00 C ATOM 943 C ASP A 66 5.826 8.622 -3.698 1.00 0.00 C ATOM 944 O ASP A 66 4.670 8.211 -3.823 1.00 0.00 O ATOM 945 CB ASP A 66 6.981 8.035 -5.829 1.00 0.00 C ATOM 946 CG ASP A 66 7.297 9.492 -6.165 1.00 0.00 C ATOM 947 OD1 ASP A 66 8.488 9.862 -6.044 1.00 0.00 O ATOM 948 OD2 ASP A 66 6.373 10.271 -6.494 1.00 0.00 O ATOM 0 H ASP A 66 6.738 5.804 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 66 7.928 8.233 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.714 7.376 -6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.005 7.762 -6.231 1.00 0.00 H new ATOM 953 N GLY A 67 6.110 9.738 -3.028 1.00 0.00 N ATOM 954 CA GLY A 67 5.114 10.700 -2.567 1.00 0.00 C ATOM 955 C GLY A 67 4.599 10.454 -1.150 1.00 0.00 C ATOM 956 O GLY A 67 3.857 11.279 -0.613 1.00 0.00 O ATOM 0 H GLY A 67 7.064 10.004 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.545 11.700 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.268 10.685 -3.254 1.00 0.00 H new ATOM 960 N ALA A 68 5.000 9.361 -0.515 1.00 0.00 N ATOM 961 CA ALA A 68 4.873 9.114 0.913 1.00 0.00 C ATOM 962 C ALA A 68 6.214 8.528 1.372 1.00 0.00 C ATOM 963 O ALA A 68 7.176 8.512 0.592 1.00 0.00 O ATOM 964 CB ALA A 68 3.652 8.223 1.193 1.00 0.00 C ATOM 0 H ALA A 68 5.444 8.585 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 68 4.681 10.021 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.569 8.046 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.750 8.720 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.770 7.271 0.676 1.00 0.00 H new ATOM 970 N ASP A 69 6.310 8.031 2.601 1.00 0.00 N ATOM 971 CA ASP A 69 7.505 7.373 3.112 1.00 0.00 C ATOM 972 C ASP A 69 7.099 6.259 4.072 1.00 0.00 C ATOM 973 O ASP A 69 6.840 6.524 5.245 1.00 0.00 O ATOM 974 CB ASP A 69 8.411 8.407 3.784 1.00 0.00 C ATOM 975 CG ASP A 69 9.700 7.765 4.275 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.451 7.228 3.428 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.033 7.911 5.478 1.00 0.00 O ATOM 0 H ASP A 69 5.549 8.075 3.279 1.00 0.00 H new ATOM 0 HA ASP A 69 8.068 6.921 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.644 9.205 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.886 8.865 4.622 1.00 0.00 H new ATOM 982 N PHE A 70 6.970 5.022 3.576 1.00 0.00 N ATOM 983 CA PHE A 70 6.536 3.873 4.375 1.00 0.00 C ATOM 984 C PHE A 70 7.498 2.688 4.346 1.00 0.00 C ATOM 985 O PHE A 70 8.303 2.518 3.429 1.00 0.00 O ATOM 986 CB PHE A 70 5.130 3.411 3.940 1.00 0.00 C ATOM 987 CG PHE A 70 5.014 2.950 2.507 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.650 1.773 2.064 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.279 3.724 1.597 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.629 1.428 0.708 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.193 3.337 0.255 1.00 0.00 C ATOM 992 CZ PHE A 70 4.882 2.202 -0.198 1.00 0.00 C ATOM 0 H PHE A 70 7.166 4.791 2.602 1.00 0.00 H new ATOM 0 HA PHE A 70 6.518 4.228 5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.816 2.596 4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.431 4.233 4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.155 1.135 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.779 4.620 1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.185 0.570 0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.594 3.914 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.839 1.923 -1.240 1.00 0.00 H new ATOM 1002 N LEU A 71 7.271 1.783 5.300 1.00 0.00 N ATOM 1003 CA LEU A 71 7.940 0.503 5.506 1.00 0.00 C ATOM 1004 C LEU A 71 7.103 -0.628 4.917 1.00 0.00 C ATOM 1005 O LEU A 71 5.884 -0.509 4.829 1.00 0.00 O ATOM 1006 CB LEU A 71 8.066 0.319 7.022 1.00 0.00 C ATOM 1007 CG LEU A 71 8.847 -0.902 7.530 1.00 0.00 C ATOM 1008 CD1 LEU A 71 10.348 -0.622 7.405 1.00 0.00 C ATOM 1009 CD2 LEU A 71 8.454 -1.191 8.979 1.00 0.00 C ATOM 0 H LEU A 71 6.553 1.943 6.007 1.00 0.00 H new ATOM 0 HA LEU A 71 8.915 0.486 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.538 1.213 7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.060 0.271 7.439 1.00 0.00 H new ATOM 0 HG LEU A 71 8.608 -1.782 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.910 -1.484 7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.598 -0.435 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.606 0.253 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.008 -2.057 9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.689 -0.326 9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.385 -1.396 9.032 1.00 0.00 H new ATOM 1021 N ILE A 72 7.730 -1.762 4.618 1.00 0.00 N ATOM 1022 CA ILE A 72 7.129 -2.950 3.995 1.00 0.00 C ATOM 1023 C ILE A 72 7.201 -4.116 4.987 1.00 0.00 C ATOM 1024 O ILE A 72 8.174 -4.870 5.037 1.00 0.00 O ATOM 1025 CB ILE A 72 7.771 -3.292 2.632 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.866 -2.054 1.712 1.00 0.00 C ATOM 1027 CG2 ILE A 72 6.984 -4.422 1.910 1.00 0.00 C ATOM 1028 CD1 ILE A 72 8.827 -2.332 0.565 1.00 0.00 C ATOM 0 H ILE A 72 8.723 -1.890 4.812 1.00 0.00 H new ATOM 0 HA ILE A 72 6.083 -2.741 3.768 1.00 0.00 H new ATOM 0 HB ILE A 72 8.783 -3.640 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.880 -1.806 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.208 -1.191 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.458 -4.642 0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.984 -5.319 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.957 -4.099 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.888 -1.455 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.815 -2.558 0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.466 -3.182 -0.014 1.00 0.00 H new ATOM 1040 N CYS A 73 6.166 -4.285 5.802 1.00 0.00 N ATOM 1041 CA CYS A 73 6.101 -5.436 6.692 1.00 0.00 C ATOM 1042 C CYS A 73 5.610 -6.650 5.897 1.00 0.00 C ATOM 1043 O CYS A 73 4.639 -6.526 5.152 1.00 0.00 O ATOM 1044 CB CYS A 73 5.136 -5.121 7.835 1.00 0.00 C ATOM 1045 SG CYS A 73 5.694 -3.690 8.807 1.00 0.00 S ATOM 0 H CYS A 73 5.371 -3.649 5.865 1.00 0.00 H new ATOM 0 HA CYS A 73 7.085 -5.657 7.107 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.144 -4.922 7.430 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.046 -5.991 8.486 1.00 0.00 H new ATOM 0 HG CYS A 73 4.845 -3.457 9.764 1.00 0.00 H new ATOM 1051 N VAL A 74 6.228 -7.813 6.093 1.00 0.00 N ATOM 1052 CA VAL A 74 5.876 -9.107 5.492 1.00 0.00 C ATOM 1053 C VAL A 74 5.868 -10.169 6.600 1.00 0.00 C ATOM 1054 O VAL A 74 6.466 -9.936 7.652 1.00 0.00 O ATOM 1055 CB VAL A 74 6.874 -9.474 4.365 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.425 -8.893 3.026 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.306 -8.985 4.608 1.00 0.00 C ATOM 0 H VAL A 74 7.036 -7.886 6.711 1.00 0.00 H new ATOM 0 HA VAL A 74 4.887 -9.053 5.038 1.00 0.00 H new ATOM 0 HB VAL A 74 6.878 -10.564 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.143 -9.165 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.444 -9.291 2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.367 -7.807 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.939 -9.284 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.310 -7.899 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.689 -9.425 5.529 1.00 0.00 H new ATOM 1067 N PRO A 75 5.224 -11.332 6.425 1.00 0.00 N ATOM 1068 CA PRO A 75 5.217 -12.363 7.456 1.00 0.00 C ATOM 1069 C PRO A 75 6.603 -12.998 7.543 1.00 0.00 C ATOM 1070 O PRO A 75 7.333 -13.018 6.549 1.00 0.00 O ATOM 1071 CB PRO A 75 4.179 -13.386 7.002 1.00 0.00 C ATOM 1072 CG PRO A 75 4.114 -13.217 5.485 1.00 0.00 C ATOM 1073 CD PRO A 75 4.487 -11.755 5.244 1.00 0.00 C ATOM 0 HA PRO A 75 4.975 -11.968 8.443 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.474 -14.399 7.276 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.210 -13.200 7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.807 -13.891 4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.118 -13.440 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.095 -11.650 4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.596 -11.143 5.099 1.00 0.00 H new ATOM 1081 N GLU A 76 6.973 -13.539 8.705 1.00 0.00 N ATOM 1082 CA GLU A 76 8.305 -14.111 8.934 1.00 0.00 C ATOM 1083 C GLU A 76 8.663 -15.185 7.895 1.00 0.00 C ATOM 1084 O GLU A 76 9.798 -15.248 7.416 1.00 0.00 O ATOM 1085 CB GLU A 76 8.429 -14.641 10.369 1.00 0.00 C ATOM 1086 CG GLU A 76 7.514 -15.835 10.666 1.00 0.00 C ATOM 1087 CD GLU A 76 7.715 -16.345 12.086 1.00 0.00 C ATOM 1088 OE1 GLU A 76 8.721 -17.046 12.344 1.00 0.00 O ATOM 1089 OE2 GLU A 76 6.869 -16.058 12.964 1.00 0.00 O ATOM 0 H GLU A 76 6.358 -13.594 9.517 1.00 0.00 H new ATOM 0 HA GLU A 76 9.033 -13.309 8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.463 -14.933 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.198 -13.835 11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.473 -15.542 10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.717 -16.637 9.957 1.00 0.00 H new ATOM 1096 N GLU A 77 7.666 -15.964 7.463 1.00 0.00 N ATOM 1097 CA GLU A 77 7.792 -16.984 6.434 1.00 0.00 C ATOM 1098 C GLU A 77 8.362 -16.392 5.148 1.00 0.00 C ATOM 1099 O GLU A 77 9.230 -16.987 4.499 1.00 0.00 O ATOM 1100 CB GLU A 77 6.402 -17.583 6.163 1.00 0.00 C ATOM 1101 CG GLU A 77 6.201 -18.936 6.848 1.00 0.00 C ATOM 1102 CD GLU A 77 7.208 -19.985 6.377 1.00 0.00 C ATOM 1103 OE1 GLU A 77 7.526 -20.046 5.161 1.00 0.00 O ATOM 1104 OE2 GLU A 77 7.682 -20.779 7.218 1.00 0.00 O ATOM 0 H GLU A 77 6.720 -15.894 7.837 1.00 0.00 H new ATOM 0 HA GLU A 77 8.476 -17.759 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.637 -16.888 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.264 -17.700 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.290 -18.810 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.190 -19.293 6.651 1.00 0.00 H new ATOM 1111 N ALA A 78 7.881 -15.210 4.780 1.00 0.00 N ATOM 1112 CA ALA A 78 8.268 -14.523 3.570 1.00 0.00 C ATOM 1113 C ALA A 78 9.542 -13.688 3.756 1.00 0.00 C ATOM 1114 O ALA A 78 10.078 -13.216 2.761 1.00 0.00 O ATOM 1115 CB ALA A 78 7.098 -13.644 3.130 1.00 0.00 C ATOM 0 H ALA A 78 7.195 -14.697 5.334 1.00 0.00 H new ATOM 0 HA ALA A 78 8.501 -15.260 2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.365 -13.113 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.224 -14.268 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.869 -12.923 3.915 1.00 0.00 H new ATOM 1121 N LEU A 79 10.048 -13.499 4.981 1.00 0.00 N ATOM 1122 CA LEU A 79 11.102 -12.536 5.304 1.00 0.00 C ATOM 1123 C LEU A 79 12.317 -12.687 4.391 1.00 0.00 C ATOM 1124 O LEU A 79 12.740 -11.766 3.686 1.00 0.00 O ATOM 1125 CB LEU A 79 11.537 -12.717 6.773 1.00 0.00 C ATOM 1126 CG LEU A 79 12.638 -11.726 7.179 1.00 0.00 C ATOM 1127 CD1 LEU A 79 12.284 -10.254 6.918 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.999 -11.912 8.652 1.00 0.00 C ATOM 0 H LEU A 79 9.726 -14.026 5.793 1.00 0.00 H new ATOM 0 HA LEU A 79 10.694 -11.537 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.673 -12.585 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.895 -13.736 6.921 1.00 0.00 H new ATOM 0 HG LEU A 79 13.492 -11.956 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.113 -9.619 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.098 -10.108 5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.390 -9.989 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.780 -11.204 8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.117 -11.737 9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.358 -12.929 8.813 1.00 0.00 H new ATOM 1140 N ASP A 80 12.925 -13.862 4.460 1.00 0.00 N ATOM 1141 CA ASP A 80 14.129 -14.215 3.716 1.00 0.00 C ATOM 1142 C ASP A 80 13.792 -14.441 2.248 1.00 0.00 C ATOM 1143 O ASP A 80 14.606 -14.221 1.356 1.00 0.00 O ATOM 1144 CB ASP A 80 14.705 -15.501 4.303 1.00 0.00 C ATOM 1145 CG ASP A 80 16.170 -15.608 3.919 1.00 0.00 C ATOM 1146 OD1 ASP A 80 16.994 -15.080 4.700 1.00 0.00 O ATOM 1147 OD2 ASP A 80 16.464 -16.193 2.849 1.00 0.00 O ATOM 0 H ASP A 80 12.586 -14.620 5.052 1.00 0.00 H new ATOM 0 HA ASP A 80 14.854 -13.404 3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.599 -15.500 5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.154 -16.365 3.930 1.00 0.00 H new ATOM 1152 N ARG A 81 12.553 -14.864 2.004 1.00 0.00 N ATOM 1153 CA ARG A 81 11.992 -15.112 0.690 1.00 0.00 C ATOM 1154 C ARG A 81 12.019 -13.836 -0.143 1.00 0.00 C ATOM 1155 O ARG A 81 12.475 -13.867 -1.277 1.00 0.00 O ATOM 1156 CB ARG A 81 10.581 -15.686 0.875 1.00 0.00 C ATOM 1157 CG ARG A 81 10.351 -16.915 0.007 1.00 0.00 C ATOM 1158 CD ARG A 81 9.019 -17.552 0.395 1.00 0.00 C ATOM 1159 NE ARG A 81 8.743 -18.741 -0.412 1.00 0.00 N ATOM 1160 CZ ARG A 81 8.834 -20.018 -0.035 1.00 0.00 C ATOM 1161 NH1 ARG A 81 9.317 -20.380 1.148 1.00 0.00 N ATOM 1162 NH2 ARG A 81 8.417 -20.961 -0.864 1.00 0.00 N ATOM 0 H ARG A 81 11.888 -15.050 2.755 1.00 0.00 H new ATOM 0 HA ARG A 81 12.584 -15.842 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.430 -15.948 1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.843 -14.923 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.343 -16.636 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.164 -17.629 0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.037 -17.823 1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.215 -16.827 0.265 1.00 0.00 H new ATOM 0 HE ARG A 81 8.447 -18.575 -1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.636 -19.670 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.369 -21.368 1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.034 -20.707 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.479 -21.942 -0.593 1.00 0.00 H new ATOM 1176 N TYR A 82 11.606 -12.697 0.407 1.00 0.00 N ATOM 1177 CA TYR A 82 11.739 -11.424 -0.291 1.00 0.00 C ATOM 1178 C TYR A 82 13.219 -11.082 -0.491 1.00 0.00 C ATOM 1179 O TYR A 82 13.591 -10.633 -1.577 1.00 0.00 O ATOM 1180 CB TYR A 82 11.000 -10.311 0.465 1.00 0.00 C ATOM 1181 CG TYR A 82 9.515 -10.205 0.149 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.643 -11.266 0.461 1.00 0.00 C ATOM 1183 CD2 TYR A 82 9.000 -9.056 -0.484 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.277 -11.188 0.155 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.633 -8.968 -0.799 1.00 0.00 C ATOM 1186 CZ TYR A 82 6.770 -10.038 -0.480 1.00 0.00 C ATOM 1187 OH TYR A 82 5.469 -10.006 -0.854 1.00 0.00 O ATOM 0 H TYR A 82 11.178 -12.631 1.331 1.00 0.00 H new ATOM 0 HA TYR A 82 11.279 -11.512 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.119 -10.477 1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.475 -9.357 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.032 -12.151 0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.660 -8.237 -0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.617 -12.006 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.244 -8.084 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 82 5.267 -10.793 -1.402 1.00 0.00 H new ATOM 1197 N ARG A 83 14.086 -11.308 0.511 1.00 0.00 N ATOM 1198 CA ARG A 83 15.521 -11.064 0.321 1.00 0.00 C ATOM 1199 C ARG A 83 16.187 -11.983 -0.705 1.00 0.00 C ATOM 1200 O ARG A 83 17.308 -11.662 -1.095 1.00 0.00 O ATOM 1201 CB ARG A 83 16.279 -11.122 1.653 1.00 0.00 C ATOM 1202 CG ARG A 83 16.281 -9.750 2.340 1.00 0.00 C ATOM 1203 CD ARG A 83 17.157 -9.782 3.596 1.00 0.00 C ATOM 1204 NE ARG A 83 18.593 -9.600 3.357 1.00 0.00 N ATOM 1205 CZ ARG A 83 19.486 -9.532 4.348 1.00 0.00 C ATOM 1206 NH1 ARG A 83 19.086 -9.617 5.618 1.00 0.00 N ATOM 1207 NH2 ARG A 83 20.770 -9.399 4.058 1.00 0.00 N ATOM 0 H ARG A 83 13.826 -11.650 1.436 1.00 0.00 H new ATOM 0 HA ARG A 83 15.581 -10.056 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.817 -11.861 2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.304 -11.448 1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.651 -8.992 1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.262 -9.468 2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.816 -9.003 4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.006 -10.736 4.101 1.00 0.00 H new ATOM 0 HE ARG A 83 18.923 -9.522 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.096 -9.734 5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.770 -9.565 6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 83 21.070 -9.349 3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 83 21.459 -9.346 4.808 1.00 0.00 H new ATOM 1221 N ARG A 84 15.572 -13.073 -1.175 1.00 0.00 N ATOM 1222 CA ARG A 84 16.146 -13.899 -2.244 1.00 0.00 C ATOM 1223 C ARG A 84 15.598 -13.546 -3.630 1.00 0.00 C ATOM 1224 O ARG A 84 15.966 -14.210 -4.599 1.00 0.00 O ATOM 1225 CB ARG A 84 16.107 -15.386 -1.864 1.00 0.00 C ATOM 1226 CG ARG A 84 14.808 -16.152 -2.126 1.00 0.00 C ATOM 1227 CD ARG A 84 14.741 -17.328 -1.152 1.00 0.00 C ATOM 1228 NE ARG A 84 13.578 -18.195 -1.394 1.00 0.00 N ATOM 1229 CZ ARG A 84 13.475 -19.476 -1.024 1.00 0.00 C ATOM 1230 NH1 ARG A 84 14.332 -20.024 -0.171 1.00 0.00 N ATOM 1231 NH2 ARG A 84 12.486 -20.211 -1.508 1.00 0.00 N ATOM 0 H ARG A 84 14.672 -13.406 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 84 17.205 -13.659 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.909 -15.891 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.336 -15.467 -0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.947 -15.497 -1.991 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.779 -16.509 -3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.654 -17.918 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.701 -16.948 -0.131 1.00 0.00 H new ATOM 0 HE ARG A 84 12.784 -17.785 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.091 -19.465 0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.231 -21.004 0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.814 -19.799 -2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.396 -21.189 -1.234 1.00 0.00 H new ATOM 1245 N ASP A 85 14.733 -12.534 -3.763 1.00 0.00 N ATOM 1246 CA ASP A 85 14.224 -12.111 -5.071 1.00 0.00 C ATOM 1247 C ASP A 85 15.240 -11.262 -5.833 1.00 0.00 C ATOM 1248 O ASP A 85 15.876 -10.387 -5.252 1.00 0.00 O ATOM 1249 CB ASP A 85 12.960 -11.265 -4.923 1.00 0.00 C ATOM 1250 CG ASP A 85 12.383 -10.935 -6.301 1.00 0.00 C ATOM 1251 OD1 ASP A 85 12.385 -11.805 -7.200 1.00 0.00 O ATOM 1252 OD2 ASP A 85 11.998 -9.774 -6.533 1.00 0.00 O ATOM 0 H ASP A 85 14.371 -11.992 -2.978 1.00 0.00 H new ATOM 0 HA ASP A 85 14.017 -13.030 -5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.220 -11.803 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.190 -10.344 -4.387 1.00 0.00 H new ATOM 1257 N TYR A 86 15.305 -11.408 -7.157 1.00 0.00 N ATOM 1258 CA TYR A 86 16.215 -10.674 -8.041 1.00 0.00 C ATOM 1259 C TYR A 86 15.801 -9.197 -8.277 1.00 0.00 C ATOM 1260 O TYR A 86 16.376 -8.463 -9.084 1.00 0.00 O ATOM 1261 CB TYR A 86 16.351 -11.470 -9.347 1.00 0.00 C ATOM 1262 CG TYR A 86 17.654 -11.320 -10.114 1.00 0.00 C ATOM 1263 CD1 TYR A 86 18.563 -10.285 -9.829 1.00 0.00 C ATOM 1264 CD2 TYR A 86 17.959 -12.248 -11.126 1.00 0.00 C ATOM 1265 CE1 TYR A 86 19.739 -10.146 -10.586 1.00 0.00 C ATOM 1266 CE2 TYR A 86 19.150 -12.138 -11.867 1.00 0.00 C ATOM 1267 CZ TYR A 86 20.043 -11.076 -11.607 1.00 0.00 C ATOM 1268 OH TYR A 86 21.191 -10.959 -12.333 1.00 0.00 O ATOM 0 H TYR A 86 14.706 -12.062 -7.661 1.00 0.00 H new ATOM 0 HA TYR A 86 17.187 -10.592 -7.555 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.214 -12.526 -9.116 1.00 0.00 H new ATOM 0 HB3 TYR A 86 15.534 -11.180 -10.007 1.00 0.00 H new ATOM 0 HD1 TYR A 86 18.356 -9.594 -9.025 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.271 -13.054 -11.337 1.00 0.00 H new ATOM 0 HE1 TYR A 86 20.413 -9.326 -10.387 1.00 0.00 H new ATOM 0 HE2 TYR A 86 19.380 -12.864 -12.633 1.00 0.00 H new ATOM 0 HH TYR A 86 21.238 -11.684 -12.990 1.00 0.00 H new ATOM 1278 N PHE A 87 14.837 -8.715 -7.515 1.00 0.00 N ATOM 1279 CA PHE A 87 14.356 -7.338 -7.505 1.00 0.00 C ATOM 1280 C PHE A 87 14.131 -6.847 -6.078 1.00 0.00 C ATOM 1281 O PHE A 87 14.868 -5.955 -5.657 1.00 0.00 O ATOM 1282 CB PHE A 87 13.121 -7.181 -8.400 1.00 0.00 C ATOM 1283 CG PHE A 87 12.443 -5.823 -8.381 1.00 0.00 C ATOM 1284 CD1 PHE A 87 13.186 -4.624 -8.373 1.00 0.00 C ATOM 1285 CD2 PHE A 87 11.037 -5.766 -8.431 1.00 0.00 C ATOM 1286 CE1 PHE A 87 12.529 -3.386 -8.475 1.00 0.00 C ATOM 1287 CE2 PHE A 87 10.384 -4.528 -8.534 1.00 0.00 C ATOM 1288 CZ PHE A 87 11.128 -3.338 -8.576 1.00 0.00 C ATOM 0 H PHE A 87 14.338 -9.303 -6.848 1.00 0.00 H new ATOM 0 HA PHE A 87 15.126 -6.695 -7.931 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.412 -7.403 -9.427 1.00 0.00 H new ATOM 0 HB3 PHE A 87 12.388 -7.933 -8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 87 14.262 -4.658 -8.288 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.459 -6.678 -8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 87 13.101 -2.470 -8.476 1.00 0.00 H new ATOM 0 HE2 PHE A 87 9.306 -4.491 -8.581 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.625 -2.389 -8.686 1.00 0.00 H new ATOM 1298 N TRP A 88 13.190 -7.427 -5.313 1.00 0.00 N ATOM 1299 CA TRP A 88 12.802 -6.909 -3.990 1.00 0.00 C ATOM 1300 C TRP A 88 13.985 -6.733 -3.026 1.00 0.00 C ATOM 1301 O TRP A 88 13.905 -5.890 -2.128 1.00 0.00 O ATOM 1302 CB TRP A 88 11.725 -7.774 -3.319 1.00 0.00 C ATOM 1303 CG TRP A 88 10.329 -7.626 -3.843 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.719 -8.467 -4.702 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.341 -6.600 -3.538 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.431 -8.049 -4.951 1.00 0.00 N ATOM 1307 CE2 TRP A 88 8.163 -6.871 -4.292 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.325 -5.445 -2.726 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 7.051 -6.024 -4.267 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.194 -4.612 -2.668 1.00 0.00 C ATOM 1311 CH2 TRP A 88 7.053 -4.901 -3.434 1.00 0.00 C ATOM 0 H TRP A 88 12.679 -8.264 -5.593 1.00 0.00 H new ATOM 0 HA TRP A 88 12.392 -5.920 -4.195 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.017 -8.820 -3.416 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.716 -7.543 -2.254 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.176 -9.345 -5.134 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.766 -8.545 -5.544 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.197 -5.197 -2.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.194 -6.236 -4.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.203 -3.742 -2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.184 -4.261 -3.380 1.00 0.00 H new ATOM 1322 N GLN A 89 15.109 -7.419 -3.266 1.00 0.00 N ATOM 1323 CA GLN A 89 16.386 -7.190 -2.595 1.00 0.00 C ATOM 1324 C GLN A 89 16.754 -5.714 -2.451 1.00 0.00 C ATOM 1325 O GLN A 89 17.139 -5.289 -1.365 1.00 0.00 O ATOM 1326 CB GLN A 89 17.489 -7.852 -3.434 1.00 0.00 C ATOM 1327 CG GLN A 89 17.726 -9.305 -3.043 1.00 0.00 C ATOM 1328 CD GLN A 89 18.799 -10.002 -3.892 1.00 0.00 C ATOM 1329 OE1 GLN A 89 19.481 -10.911 -3.424 1.00 0.00 O ATOM 1330 NE2 GLN A 89 19.049 -9.580 -5.125 1.00 0.00 N ATOM 0 H GLN A 89 15.152 -8.171 -3.954 1.00 0.00 H new ATOM 0 HA GLN A 89 16.293 -7.606 -1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.218 -7.802 -4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.416 -7.291 -3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.020 -9.347 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.789 -9.855 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.493 -8.827 -5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.798 -10.009 -5.669 1.00 0.00 H new ATOM 1339 N THR A 90 16.645 -4.925 -3.511 1.00 0.00 N ATOM 1340 CA THR A 90 17.048 -3.521 -3.456 1.00 0.00 C ATOM 1341 C THR A 90 16.180 -2.712 -2.468 1.00 0.00 C ATOM 1342 O THR A 90 16.654 -1.731 -1.897 1.00 0.00 O ATOM 1343 CB THR A 90 17.116 -2.974 -4.892 1.00 0.00 C ATOM 1344 OG1 THR A 90 17.869 -1.784 -4.975 1.00 0.00 O ATOM 1345 CG2 THR A 90 15.748 -2.750 -5.515 1.00 0.00 C ATOM 0 H THR A 90 16.284 -5.228 -4.415 1.00 0.00 H new ATOM 0 HA THR A 90 18.049 -3.419 -3.038 1.00 0.00 H new ATOM 0 HB THR A 90 17.620 -3.754 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.887 -1.473 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.868 -2.364 -6.527 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.205 -3.694 -5.549 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.189 -2.031 -4.916 1.00 0.00 H new ATOM 1353 N TYR A 91 14.951 -3.154 -2.178 1.00 0.00 N ATOM 1354 CA TYR A 91 14.065 -2.539 -1.194 1.00 0.00 C ATOM 1355 C TYR A 91 14.152 -3.261 0.156 1.00 0.00 C ATOM 1356 O TYR A 91 13.336 -3.007 1.043 1.00 0.00 O ATOM 1357 CB TYR A 91 12.626 -2.429 -1.739 1.00 0.00 C ATOM 1358 CG TYR A 91 12.501 -1.392 -2.845 1.00 0.00 C ATOM 1359 CD1 TYR A 91 12.852 -1.746 -4.157 1.00 0.00 C ATOM 1360 CD2 TYR A 91 12.090 -0.069 -2.569 1.00 0.00 C ATOM 1361 CE1 TYR A 91 12.878 -0.779 -5.169 1.00 0.00 C ATOM 1362 CE2 TYR A 91 12.065 0.903 -3.589 1.00 0.00 C ATOM 1363 CZ TYR A 91 12.501 0.548 -4.888 1.00 0.00 C ATOM 1364 OH TYR A 91 12.544 1.446 -5.906 1.00 0.00 O ATOM 0 H TYR A 91 14.539 -3.968 -2.634 1.00 0.00 H new ATOM 0 HA TYR A 91 14.400 -1.518 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.309 -3.400 -2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.951 -2.169 -0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 91 13.104 -2.771 -4.387 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.792 0.200 -1.566 1.00 0.00 H new ATOM 0 HE1 TYR A 91 13.188 -1.051 -6.167 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.718 1.905 -3.382 1.00 0.00 H new ATOM 0 HH TYR A 91 11.694 1.931 -5.950 1.00 0.00 H new ATOM 1374 N ALA A 92 15.165 -4.109 0.391 1.00 0.00 N ATOM 1375 CA ALA A 92 15.369 -4.783 1.671 1.00 0.00 C ATOM 1376 C ALA A 92 15.545 -3.770 2.803 1.00 0.00 C ATOM 1377 O ALA A 92 15.344 -4.114 3.962 1.00 0.00 O ATOM 1378 CB ALA A 92 16.563 -5.741 1.606 1.00 0.00 C ATOM 0 H ALA A 92 15.867 -4.344 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 92 14.477 -5.372 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.691 -6.229 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.383 -6.495 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.465 -5.182 1.359 1.00 0.00 H new ATOM 1384 N ALA A 93 15.864 -2.507 2.492 1.00 0.00 N ATOM 1385 CA ALA A 93 15.908 -1.419 3.455 1.00 0.00 C ATOM 1386 C ALA A 93 14.585 -1.233 4.215 1.00 0.00 C ATOM 1387 O ALA A 93 14.598 -0.676 5.316 1.00 0.00 O ATOM 1388 CB ALA A 93 16.307 -0.109 2.764 1.00 0.00 C ATOM 0 H ALA A 93 16.102 -2.216 1.544 1.00 0.00 H new ATOM 0 HA ALA A 93 16.662 -1.690 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.335 0.696 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.292 -0.222 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.577 0.131 1.991 1.00 0.00 H new ATOM 1394 N TRP A 94 13.460 -1.698 3.665 1.00 0.00 N ATOM 1395 CA TRP A 94 12.131 -1.540 4.243 1.00 0.00 C ATOM 1396 C TRP A 94 11.452 -2.875 4.553 1.00 0.00 C ATOM 1397 O TRP A 94 10.383 -2.867 5.158 1.00 0.00 O ATOM 1398 CB TRP A 94 11.258 -0.741 3.274 1.00 0.00 C ATOM 1399 CG TRP A 94 11.729 0.641 2.971 1.00 0.00 C ATOM 1400 CD1 TRP A 94 11.403 1.745 3.678 1.00 0.00 C ATOM 1401 CD2 TRP A 94 12.580 1.104 1.880 1.00 0.00 C ATOM 1402 NE1 TRP A 94 11.982 2.853 3.102 1.00 0.00 N ATOM 1403 CE2 TRP A 94 12.729 2.513 1.996 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.220 0.477 0.790 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 13.487 3.255 1.086 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.004 1.210 -0.122 1.00 0.00 C ATOM 1407 CH2 TRP A 94 14.137 2.600 0.027 1.00 0.00 C ATOM 0 H TRP A 94 13.453 -2.208 2.782 1.00 0.00 H new ATOM 0 HA TRP A 94 12.249 -1.014 5.191 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.186 -1.294 2.338 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.251 -0.680 3.687 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.782 1.757 4.562 1.00 0.00 H new ATOM 0 HE1 TRP A 94 11.872 3.805 3.450 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.106 -0.588 0.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 13.572 4.326 1.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.502 0.703 -0.935 1.00 0.00 H new ATOM 0 HH2 TRP A 94 14.738 3.164 -0.671 1.00 0.00 H new ATOM 1418 N ILE A 95 12.019 -4.006 4.130 1.00 0.00 N ATOM 1419 CA ILE A 95 11.365 -5.308 4.214 1.00 0.00 C ATOM 1420 C ILE A 95 11.741 -5.920 5.561 1.00 0.00 C ATOM 1421 O ILE A 95 12.926 -6.156 5.807 1.00 0.00 O ATOM 1422 CB ILE A 95 11.740 -6.192 3.007 1.00 0.00 C ATOM 1423 CG1 ILE A 95 11.251 -5.538 1.689 1.00 0.00 C ATOM 1424 CG2 ILE A 95 11.099 -7.582 3.125 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.867 -6.158 0.432 1.00 0.00 C ATOM 0 H ILE A 95 12.951 -4.042 3.717 1.00 0.00 H new ATOM 0 HA ILE A 95 10.280 -5.213 4.165 1.00 0.00 H new ATOM 0 HB ILE A 95 12.825 -6.292 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.166 -5.623 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.486 -4.474 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.379 -8.186 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.448 -8.068 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.014 -7.481 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.479 -5.651 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.951 -6.049 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.610 -7.216 0.385 1.00 0.00 H new ATOM 1437 N GLN A 96 10.768 -6.128 6.447 1.00 0.00 N ATOM 1438 CA GLN A 96 10.976 -6.687 7.783 1.00 0.00 C ATOM 1439 C GLN A 96 9.750 -7.486 8.250 1.00 0.00 C ATOM 1440 O GLN A 96 8.680 -7.363 7.642 1.00 0.00 O ATOM 1441 CB GLN A 96 11.344 -5.594 8.808 1.00 0.00 C ATOM 1442 CG GLN A 96 10.842 -4.174 8.559 1.00 0.00 C ATOM 1443 CD GLN A 96 11.288 -3.292 9.719 1.00 0.00 C ATOM 1444 OE1 GLN A 96 12.343 -2.671 9.683 1.00 0.00 O ATOM 1445 NE2 GLN A 96 10.532 -3.239 10.797 1.00 0.00 N ATOM 0 H GLN A 96 9.791 -5.908 6.252 1.00 0.00 H new ATOM 0 HA GLN A 96 11.820 -7.373 7.717 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.973 -5.912 9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 96 12.431 -5.555 8.878 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.239 -3.792 7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.755 -4.166 8.473 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.653 -3.755 10.829 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.826 -2.682 11.599 1.00 0.00 H new ATOM 1454 N PRO A 97 9.878 -8.306 9.312 1.00 0.00 N ATOM 1455 CA PRO A 97 8.773 -9.108 9.816 1.00 0.00 C ATOM 1456 C PRO A 97 7.584 -8.294 10.334 1.00 0.00 C ATOM 1457 O PRO A 97 7.707 -7.121 10.687 1.00 0.00 O ATOM 1458 CB PRO A 97 9.369 -10.033 10.877 1.00 0.00 C ATOM 1459 CG PRO A 97 10.648 -9.335 11.317 1.00 0.00 C ATOM 1460 CD PRO A 97 11.102 -8.648 10.037 1.00 0.00 C ATOM 0 HA PRO A 97 8.329 -9.677 8.999 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.684 -10.170 11.714 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.577 -11.022 10.469 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.465 -8.620 12.119 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.391 -10.043 11.684 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.687 -7.756 10.259 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.737 -9.306 9.444 1.00 0.00 H new ATOM 1468 N MET A 98 6.427 -8.953 10.380 1.00 0.00 N ATOM 1469 CA MET A 98 5.254 -8.577 11.157 1.00 0.00 C ATOM 1470 C MET A 98 5.453 -8.966 12.629 1.00 0.00 C ATOM 1471 O MET A 98 6.468 -9.565 13.000 1.00 0.00 O ATOM 1472 CB MET A 98 4.014 -9.268 10.569 1.00 0.00 C ATOM 1473 CG MET A 98 3.570 -8.628 9.258 1.00 0.00 C ATOM 1474 SD MET A 98 1.878 -9.051 8.748 1.00 0.00 S ATOM 1475 CE MET A 98 2.222 -9.990 7.243 1.00 0.00 C ATOM 0 H MET A 98 6.278 -9.809 9.846 1.00 0.00 H new ATOM 0 HA MET A 98 5.110 -7.498 11.109 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.232 -10.323 10.402 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.197 -9.222 11.290 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.647 -7.545 9.353 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.260 -8.929 8.469 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.284 -10.234 6.744 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.843 -9.393 6.575 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.747 -10.910 7.500 1.00 0.00 H new ATOM 1485 N GLU A 99 4.491 -8.617 13.484 1.00 0.00 N ATOM 1486 CA GLU A 99 4.421 -9.074 14.871 1.00 0.00 C ATOM 1487 C GLU A 99 3.432 -10.250 14.962 1.00 0.00 C ATOM 1488 O GLU A 99 2.883 -10.678 13.941 1.00 0.00 O ATOM 1489 CB GLU A 99 4.004 -7.913 15.790 1.00 0.00 C ATOM 1490 CG GLU A 99 4.878 -6.657 15.645 1.00 0.00 C ATOM 1491 CD GLU A 99 4.635 -5.680 16.798 1.00 0.00 C ATOM 1492 OE1 GLU A 99 5.262 -5.864 17.867 1.00 0.00 O ATOM 1493 OE2 GLU A 99 3.811 -4.743 16.633 1.00 0.00 O ATOM 0 H GLU A 99 3.724 -7.996 13.226 1.00 0.00 H new ATOM 0 HA GLU A 99 5.401 -9.417 15.202 1.00 0.00 H new ATOM 0 HB2 GLU A 99 2.968 -7.649 15.578 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.041 -8.251 16.825 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.930 -6.943 15.622 1.00 0.00 H new ATOM 0 HG3 GLU A 99 4.660 -6.166 14.696 1.00 0.00 H new ATOM 1500 N GLN A 100 3.203 -10.763 16.177 1.00 0.00 N ATOM 1501 CA GLN A 100 2.312 -11.885 16.456 1.00 0.00 C ATOM 1502 C GLN A 100 0.890 -11.525 16.056 1.00 0.00 C ATOM 1503 O GLN A 100 0.308 -10.613 16.687 1.00 0.00 O ATOM 1504 CB GLN A 100 2.322 -12.275 17.943 1.00 0.00 C ATOM 1505 CG GLN A 100 3.681 -12.512 18.602 1.00 0.00 C ATOM 1506 CD GLN A 100 4.335 -11.205 19.037 1.00 0.00 C ATOM 1507 OE1 GLN A 100 5.295 -10.750 18.432 1.00 0.00 O ATOM 1508 NE2 GLN A 100 3.870 -10.556 20.087 1.00 0.00 N ATOM 0 H GLN A 100 3.649 -10.394 17.017 1.00 0.00 H new ATOM 0 HA GLN A 100 2.672 -12.735 15.876 1.00 0.00 H new ATOM 0 HB2 GLN A 100 1.811 -11.490 18.500 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.730 -13.183 18.056 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.557 -13.162 19.468 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.337 -13.032 17.905 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.070 -10.924 20.601 1.00 0.00 H new ATOM 0 HE22 GLN A 100 4.311 -9.686 20.385 1.00 0.00 H new TER 1517 GLN A 100