USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 SER OG : rot 21:sc= 0.543 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= -0.25 USER MOD Set 2.1: A 59 THR OG1 : rot 78:sc= 0.38 USER MOD Set 2.2: A 61 GLN : amide:sc= -2.17! C(o=-1.8!,f=-6.2!) USER MOD Set 3.1: A 42 MET CE :methyl -149:sc= -0.193 (180deg=-2.04!) USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= 0 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 3 SER OG : rot 180:sc=-0.00516 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS :FLIP no HE2:sc= -0.597 F(o=-2.1!,f=-0.6) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.064) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -166:sc= 0 (180deg=-0.00265) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 116:sc= 0.546 USER MOD Single : A 27 SER OG : rot 10:sc= 0.757 USER MOD Single : A 30 CYS SG : rot -158:sc= 1.64 USER MOD Single : A 33 SER OG : rot -86:sc= 0.278 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 23:sc= 0.686 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -65:sc= 0.482 USER MOD Single : A 53 SER OG : rot 11:sc= 0.661 USER MOD Single : A 54 SER OG : rot 55:sc= 0.124 USER MOD Single : A 57 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.5!) USER MOD Single : A 64 LYS NZ :NH3+ -109:sc= -1.05 (180deg=-3.47!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -10:sc= -0.397 USER MOD Single : A 90 LYS NZ :NH3+ 144:sc= -0.319 (180deg=-0.482) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.813 30.639 18.115 1.00 0.00 N ATOM 2 CA GLY A 1 -2.960 29.215 18.355 1.00 0.00 C ATOM 3 C GLY A 1 -2.829 28.397 17.085 1.00 0.00 C ATOM 4 O GLY A 1 -1.977 27.514 16.993 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.911 31.154 19.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.875 30.827 17.708 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.548 30.957 17.452 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.206 28.891 19.072 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.933 29.024 18.808 1.00 0.00 H new ATOM 8 N SER A 2 -3.677 28.690 16.105 1.00 0.00 N ATOM 9 CA SER A 2 -3.657 27.971 14.836 1.00 0.00 C ATOM 10 C SER A 2 -2.427 28.351 14.016 1.00 0.00 C ATOM 11 O SER A 2 -1.676 29.254 14.385 1.00 0.00 O ATOM 12 CB SER A 2 -4.928 28.267 14.037 1.00 0.00 C ATOM 13 OG SER A 2 -4.995 29.636 13.675 1.00 0.00 O ATOM 0 H SER A 2 -4.387 29.420 16.165 1.00 0.00 H new ATOM 0 HA SER A 2 -3.613 26.904 15.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.950 27.649 13.140 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.804 28.001 14.629 1.00 0.00 H new ATOM 0 HG SER A 2 -5.815 29.799 13.164 1.00 0.00 H new ATOM 19 N SER A 3 -2.229 27.654 12.902 1.00 0.00 N ATOM 20 CA SER A 3 -1.089 27.914 12.031 1.00 0.00 C ATOM 21 C SER A 3 -1.553 28.339 10.641 1.00 0.00 C ATOM 22 O SER A 3 -2.651 27.992 10.208 1.00 0.00 O ATOM 23 CB SER A 3 -0.205 26.670 11.927 1.00 0.00 C ATOM 24 OG SER A 3 0.880 26.887 11.041 1.00 0.00 O ATOM 0 H SER A 3 -2.843 26.905 12.581 1.00 0.00 H new ATOM 0 HA SER A 3 -0.509 28.728 12.467 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.175 26.407 12.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.800 25.826 11.578 1.00 0.00 H new ATOM 0 HG SER A 3 1.431 26.078 10.994 1.00 0.00 H new ATOM 30 N GLY A 4 -0.707 29.094 9.947 1.00 0.00 N ATOM 31 CA GLY A 4 -1.047 29.555 8.613 1.00 0.00 C ATOM 32 C GLY A 4 -0.492 28.653 7.529 1.00 0.00 C ATOM 33 O GLY A 4 0.713 28.639 7.281 1.00 0.00 O ATOM 0 H GLY A 4 0.207 29.395 10.284 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.131 29.609 8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.663 30.565 8.472 1.00 0.00 H new ATOM 37 N SER A 5 -1.374 27.898 6.882 1.00 0.00 N ATOM 38 CA SER A 5 -0.965 26.984 5.821 1.00 0.00 C ATOM 39 C SER A 5 -1.725 27.274 4.531 1.00 0.00 C ATOM 40 O SER A 5 -2.908 27.613 4.557 1.00 0.00 O ATOM 41 CB SER A 5 -1.199 25.534 6.249 1.00 0.00 C ATOM 42 OG SER A 5 -0.631 25.280 7.523 1.00 0.00 O ATOM 0 H SER A 5 -2.376 27.901 7.073 1.00 0.00 H new ATOM 0 HA SER A 5 0.099 27.134 5.637 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.269 25.328 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.763 24.859 5.512 1.00 0.00 H new ATOM 0 HG SER A 5 -0.796 24.347 7.775 1.00 0.00 H new ATOM 48 N SER A 6 -1.036 27.139 3.402 1.00 0.00 N ATOM 49 CA SER A 6 -1.643 27.390 2.101 1.00 0.00 C ATOM 50 C SER A 6 -0.803 26.781 0.982 1.00 0.00 C ATOM 51 O SER A 6 0.400 26.576 1.136 1.00 0.00 O ATOM 52 CB SER A 6 -1.805 28.894 1.871 1.00 0.00 C ATOM 53 OG SER A 6 -2.772 29.156 0.869 1.00 0.00 O ATOM 0 H SER A 6 -0.057 26.857 3.363 1.00 0.00 H new ATOM 0 HA SER A 6 -2.626 26.920 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.101 29.377 2.802 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.848 29.325 1.578 1.00 0.00 H new ATOM 0 HG SER A 6 -2.858 30.124 0.742 1.00 0.00 H new ATOM 59 N GLY A 7 -1.448 26.495 -0.145 1.00 0.00 N ATOM 60 CA GLY A 7 -0.746 25.912 -1.273 1.00 0.00 C ATOM 61 C GLY A 7 -0.316 24.482 -1.013 1.00 0.00 C ATOM 62 O GLY A 7 0.264 24.180 0.031 1.00 0.00 O ATOM 0 H GLY A 7 -2.444 26.657 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.390 25.940 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.132 26.516 -1.502 1.00 0.00 H new ATOM 66 N HIS A 8 -0.602 23.597 -1.964 1.00 0.00 N ATOM 67 CA HIS A 8 -0.242 22.190 -1.831 1.00 0.00 C ATOM 68 C HIS A 8 0.232 21.623 -3.166 1.00 0.00 C ATOM 69 O HIS A 8 0.054 22.243 -4.214 1.00 0.00 O ATOM 70 CB HIS A 8 -1.434 21.383 -1.316 1.00 0.00 C ATOM 71 CG HIS A 8 -2.309 20.844 -2.405 1.00 0.00 C ATOM 72 ND1 HIS A 8 -2.647 21.364 -3.608 1.00 0.00 N flip ATOM 73 CD2 HIS A 8 -2.952 19.627 -2.321 1.00 0.00 C flip ATOM 74 CE1 HIS A 8 -3.478 20.461 -4.224 1.00 0.00 C flip ATOM 75 NE2 HIS A 8 -3.647 19.422 -3.426 1.00 0.00 N flip ATOM 0 H HIS A 8 -1.081 23.830 -2.834 1.00 0.00 H new ATOM 0 HA HIS A 8 0.575 22.115 -1.113 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.067 20.553 -0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.033 22.014 -0.659 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.341 22.260 -3.987 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.896 18.948 -1.483 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.921 20.581 -5.202 1.00 0.00 H new ATOM 84 N VAL A 9 0.838 20.440 -3.120 1.00 0.00 N ATOM 85 CA VAL A 9 1.338 19.790 -4.325 1.00 0.00 C ATOM 86 C VAL A 9 0.544 18.526 -4.636 1.00 0.00 C ATOM 87 O VAL A 9 -0.418 18.197 -3.943 1.00 0.00 O ATOM 88 CB VAL A 9 2.828 19.426 -4.190 1.00 0.00 C ATOM 89 CG1 VAL A 9 3.674 20.683 -4.054 1.00 0.00 C ATOM 90 CG2 VAL A 9 3.044 18.498 -3.004 1.00 0.00 C ATOM 0 H VAL A 9 0.994 19.913 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 9 1.219 20.502 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 9 3.140 18.902 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.724 20.406 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.541 21.308 -4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.364 21.236 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.103 18.251 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.716 18.993 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.468 17.584 -3.148 1.00 0.00 H new ATOM 100 N GLY A 10 0.954 17.819 -5.685 1.00 0.00 N ATOM 101 CA GLY A 10 0.270 16.598 -6.070 1.00 0.00 C ATOM 102 C GLY A 10 1.184 15.389 -6.045 1.00 0.00 C ATOM 103 O GLY A 10 2.342 15.487 -5.638 1.00 0.00 O ATOM 0 H GLY A 10 1.747 18.070 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.570 16.428 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.143 16.717 -7.072 1.00 0.00 H new ATOM 107 N ILE A 11 0.664 14.247 -6.480 1.00 0.00 N ATOM 108 CA ILE A 11 1.441 13.014 -6.505 1.00 0.00 C ATOM 109 C ILE A 11 1.878 12.668 -7.924 1.00 0.00 C ATOM 110 O ILE A 11 1.086 12.741 -8.865 1.00 0.00 O ATOM 111 CB ILE A 11 0.642 11.833 -5.923 1.00 0.00 C ATOM 112 CG1 ILE A 11 0.134 12.173 -4.520 1.00 0.00 C ATOM 113 CG2 ILE A 11 1.501 10.577 -5.891 1.00 0.00 C ATOM 114 CD1 ILE A 11 -0.871 11.179 -3.984 1.00 0.00 C ATOM 0 H ILE A 11 -0.293 14.150 -6.820 1.00 0.00 H new ATOM 0 HA ILE A 11 2.323 13.184 -5.888 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.219 11.645 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.982 12.223 -3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.321 13.164 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.923 9.751 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.818 10.327 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.379 10.752 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.187 11.483 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.737 11.145 -4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.414 10.191 -3.934 1.00 0.00 H new ATOM 126 N THR A 12 3.143 12.289 -8.073 1.00 0.00 N ATOM 127 CA THR A 12 3.686 11.930 -9.377 1.00 0.00 C ATOM 128 C THR A 12 3.886 10.424 -9.494 1.00 0.00 C ATOM 129 O THR A 12 3.959 9.880 -10.596 1.00 0.00 O ATOM 130 CB THR A 12 5.029 12.638 -9.640 1.00 0.00 C ATOM 131 OG1 THR A 12 5.467 12.375 -10.978 1.00 0.00 O ATOM 132 CG2 THR A 12 6.088 12.171 -8.653 1.00 0.00 C ATOM 0 H THR A 12 3.812 12.223 -7.306 1.00 0.00 H new ATOM 0 HA THR A 12 2.960 12.255 -10.122 1.00 0.00 H new ATOM 0 HB THR A 12 4.882 13.710 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.320 12.830 -11.138 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.028 12.684 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.764 12.398 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.232 11.095 -8.756 1.00 0.00 H new ATOM 140 N LYS A 13 3.974 9.753 -8.350 1.00 0.00 N ATOM 141 CA LYS A 13 4.165 8.308 -8.323 1.00 0.00 C ATOM 142 C LYS A 13 3.013 7.621 -7.596 1.00 0.00 C ATOM 143 O LYS A 13 3.165 7.170 -6.461 1.00 0.00 O ATOM 144 CB LYS A 13 5.491 7.959 -7.644 1.00 0.00 C ATOM 145 CG LYS A 13 6.037 6.598 -8.037 1.00 0.00 C ATOM 146 CD LYS A 13 7.549 6.542 -7.898 1.00 0.00 C ATOM 147 CE LYS A 13 8.059 5.109 -7.934 1.00 0.00 C ATOM 148 NZ LYS A 13 7.774 4.387 -6.663 1.00 0.00 N ATOM 0 H LYS A 13 3.916 10.188 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 13 4.187 7.951 -9.353 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.228 8.722 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.354 7.988 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.585 5.829 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.757 6.376 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.011 7.114 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.847 7.012 -6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.594 4.579 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.133 5.110 -8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.280 3.478 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.091 4.964 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.752 4.214 -6.584 1.00 0.00 H new ATOM 162 N ARG A 14 1.863 7.543 -8.258 1.00 0.00 N ATOM 163 CA ARG A 14 0.687 6.911 -7.674 1.00 0.00 C ATOM 164 C ARG A 14 0.866 5.398 -7.593 1.00 0.00 C ATOM 165 O ARG A 14 1.597 4.805 -8.388 1.00 0.00 O ATOM 166 CB ARG A 14 -0.559 7.244 -8.498 1.00 0.00 C ATOM 167 CG ARG A 14 -0.562 6.611 -9.880 1.00 0.00 C ATOM 168 CD ARG A 14 -1.891 6.826 -10.588 1.00 0.00 C ATOM 169 NE ARG A 14 -1.915 8.078 -11.338 1.00 0.00 N ATOM 170 CZ ARG A 14 -2.910 8.432 -12.145 1.00 0.00 C ATOM 171 NH1 ARG A 14 -3.956 7.633 -12.304 1.00 0.00 N ATOM 172 NH2 ARG A 14 -2.860 9.588 -12.794 1.00 0.00 N ATOM 0 H ARG A 14 1.721 7.910 -9.199 1.00 0.00 H new ATOM 0 HA ARG A 14 0.561 7.299 -6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.443 6.913 -7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.636 8.326 -8.603 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.243 7.037 -10.478 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.364 5.543 -9.793 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.079 5.994 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.697 6.828 -9.854 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.125 8.716 -11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.999 6.744 -11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.718 7.908 -12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.057 10.206 -12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.624 9.859 -13.413 1.00 0.00 H new ATOM 186 N LEU A 15 0.196 4.779 -6.627 1.00 0.00 N ATOM 187 CA LEU A 15 0.282 3.335 -6.441 1.00 0.00 C ATOM 188 C LEU A 15 -0.121 2.597 -7.713 1.00 0.00 C ATOM 189 O LEU A 15 -1.182 2.853 -8.283 1.00 0.00 O ATOM 190 CB LEU A 15 -0.611 2.897 -5.279 1.00 0.00 C ATOM 191 CG LEU A 15 -0.396 3.630 -3.954 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.569 3.390 -3.016 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.907 3.187 -3.305 1.00 0.00 C ATOM 0 H LEU A 15 -0.413 5.255 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 15 1.317 3.084 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.651 3.026 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.457 1.831 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.332 4.699 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.399 3.919 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.486 3.756 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.664 2.322 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.044 3.719 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.872 2.114 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.740 3.410 -3.972 1.00 0.00 H new ATOM 205 N LYS A 16 0.731 1.677 -8.153 1.00 0.00 N ATOM 206 CA LYS A 16 0.464 0.898 -9.356 1.00 0.00 C ATOM 207 C LYS A 16 0.017 -0.516 -9.000 1.00 0.00 C ATOM 208 O LYS A 16 0.621 -1.175 -8.152 1.00 0.00 O ATOM 209 CB LYS A 16 1.711 0.843 -10.241 1.00 0.00 C ATOM 210 CG LYS A 16 2.467 2.159 -10.308 1.00 0.00 C ATOM 211 CD LYS A 16 3.682 2.058 -11.216 1.00 0.00 C ATOM 212 CE LYS A 16 3.276 1.913 -12.675 1.00 0.00 C ATOM 213 NZ LYS A 16 4.332 2.418 -13.596 1.00 0.00 N ATOM 0 H LYS A 16 1.614 1.453 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.341 1.387 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.379 0.068 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.418 0.550 -11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.803 2.943 -10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.783 2.450 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.302 2.946 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.289 1.203 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.074 0.864 -12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.349 2.459 -12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.018 2.302 -14.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.507 3.425 -13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.209 1.880 -13.447 1.00 0.00 H new ATOM 227 N THR A 17 -1.043 -0.980 -9.655 1.00 0.00 N ATOM 228 CA THR A 17 -1.569 -2.316 -9.408 1.00 0.00 C ATOM 229 C THR A 17 -0.449 -3.297 -9.080 1.00 0.00 C ATOM 230 O THR A 17 0.619 -3.259 -9.689 1.00 0.00 O ATOM 231 CB THR A 17 -2.358 -2.843 -10.622 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.356 -1.891 -11.007 1.00 0.00 O ATOM 233 CG2 THR A 17 -3.018 -4.176 -10.302 1.00 0.00 C ATOM 0 H THR A 17 -1.554 -0.450 -10.361 1.00 0.00 H new ATOM 0 HA THR A 17 -2.241 -2.237 -8.553 1.00 0.00 H new ATOM 0 HB THR A 17 -1.659 -2.991 -11.446 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.852 -2.232 -11.780 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.569 -4.528 -11.174 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.253 -4.906 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.705 -4.050 -9.465 1.00 0.00 H new ATOM 241 N MET A 18 -0.701 -4.175 -8.114 1.00 0.00 N ATOM 242 CA MET A 18 0.287 -5.167 -7.708 1.00 0.00 C ATOM 243 C MET A 18 -0.309 -6.571 -7.736 1.00 0.00 C ATOM 244 O MET A 18 -1.526 -6.739 -7.669 1.00 0.00 O ATOM 245 CB MET A 18 0.811 -4.851 -6.306 1.00 0.00 C ATOM 246 CG MET A 18 2.221 -5.362 -6.054 1.00 0.00 C ATOM 247 SD MET A 18 2.752 -5.125 -4.348 1.00 0.00 S ATOM 248 CE MET A 18 4.476 -5.598 -4.461 1.00 0.00 C ATOM 0 H MET A 18 -1.580 -4.219 -7.599 1.00 0.00 H new ATOM 0 HA MET A 18 1.116 -5.129 -8.415 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.792 -3.772 -6.155 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.138 -5.288 -5.568 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.268 -6.423 -6.301 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.914 -4.848 -6.721 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.879 -5.745 -3.459 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.562 -6.526 -5.027 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.037 -4.811 -4.966 1.00 0.00 H new ATOM 258 N GLU A 19 0.557 -7.575 -7.836 1.00 0.00 N ATOM 259 CA GLU A 19 0.114 -8.964 -7.874 1.00 0.00 C ATOM 260 C GLU A 19 1.056 -9.858 -7.074 1.00 0.00 C ATOM 261 O GLU A 19 2.276 -9.785 -7.224 1.00 0.00 O ATOM 262 CB GLU A 19 0.032 -9.457 -9.321 1.00 0.00 C ATOM 263 CG GLU A 19 -0.910 -10.634 -9.510 1.00 0.00 C ATOM 264 CD GLU A 19 -0.584 -11.448 -10.747 1.00 0.00 C ATOM 265 OE1 GLU A 19 -0.545 -10.863 -11.849 1.00 0.00 O ATOM 266 OE2 GLU A 19 -0.368 -12.671 -10.612 1.00 0.00 O ATOM 0 H GLU A 19 1.568 -7.453 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.877 -9.015 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.295 -8.635 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.029 -9.743 -9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.861 -11.278 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.934 -10.268 -9.580 1.00 0.00 H new ATOM 273 N VAL A 20 0.482 -10.701 -6.221 1.00 0.00 N ATOM 274 CA VAL A 20 1.269 -11.609 -5.397 1.00 0.00 C ATOM 275 C VAL A 20 0.473 -12.861 -5.044 1.00 0.00 C ATOM 276 O VAL A 20 -0.670 -13.024 -5.473 1.00 0.00 O ATOM 277 CB VAL A 20 1.734 -10.927 -4.096 1.00 0.00 C ATOM 278 CG1 VAL A 20 2.183 -9.500 -4.373 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.625 -10.953 -3.055 1.00 0.00 C ATOM 0 H VAL A 20 -0.526 -10.773 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 20 2.143 -11.891 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 20 2.585 -11.480 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.508 -9.034 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.011 -9.510 -5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.353 -8.932 -4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.971 -10.467 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.247 -10.424 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.356 -11.986 -2.836 1.00 0.00 H new ATOM 289 N LEU A 21 1.084 -13.742 -4.260 1.00 0.00 N ATOM 290 CA LEU A 21 0.432 -14.981 -3.848 1.00 0.00 C ATOM 291 C LEU A 21 -0.185 -14.836 -2.461 1.00 0.00 C ATOM 292 O LEU A 21 0.414 -14.244 -1.564 1.00 0.00 O ATOM 293 CB LEU A 21 1.436 -16.135 -3.855 1.00 0.00 C ATOM 294 CG LEU A 21 0.855 -17.530 -3.622 1.00 0.00 C ATOM 295 CD1 LEU A 21 0.324 -18.112 -4.924 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.905 -18.450 -3.015 1.00 0.00 C ATOM 0 H LEU A 21 2.030 -13.622 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.365 -15.197 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.954 -16.134 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.186 -15.943 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 21 0.025 -17.444 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.085 -19.105 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.459 -17.465 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.136 -18.184 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.474 -19.439 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.755 -18.529 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.239 -18.042 -2.061 1.00 0.00 H new ATOM 308 N GLU A 22 -1.384 -15.384 -2.292 1.00 0.00 N ATOM 309 CA GLU A 22 -2.081 -15.317 -1.013 1.00 0.00 C ATOM 310 C GLU A 22 -1.178 -15.787 0.124 1.00 0.00 C ATOM 311 O GLU A 22 -0.351 -16.680 -0.055 1.00 0.00 O ATOM 312 CB GLU A 22 -3.352 -16.168 -1.054 1.00 0.00 C ATOM 313 CG GLU A 22 -4.267 -15.952 0.140 1.00 0.00 C ATOM 314 CD GLU A 22 -5.201 -17.123 0.378 1.00 0.00 C ATOM 315 OE1 GLU A 22 -5.226 -18.042 -0.467 1.00 0.00 O ATOM 316 OE2 GLU A 22 -5.907 -17.120 1.408 1.00 0.00 O ATOM 0 H GLU A 22 -1.893 -15.879 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.354 -14.277 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.901 -15.942 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.073 -17.221 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.662 -15.787 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.856 -15.048 -0.017 1.00 0.00 H new ATOM 323 N GLY A 23 -1.342 -15.177 1.294 1.00 0.00 N ATOM 324 CA GLY A 23 -0.535 -15.545 2.442 1.00 0.00 C ATOM 325 C GLY A 23 0.758 -14.759 2.518 1.00 0.00 C ATOM 326 O GLY A 23 1.174 -14.339 3.597 1.00 0.00 O ATOM 0 H GLY A 23 -2.020 -14.434 1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.110 -15.382 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.307 -16.610 2.395 1.00 0.00 H new ATOM 330 N GLU A 24 1.397 -14.561 1.369 1.00 0.00 N ATOM 331 CA GLU A 24 2.652 -13.822 1.311 1.00 0.00 C ATOM 332 C GLU A 24 2.443 -12.363 1.705 1.00 0.00 C ATOM 333 O GLU A 24 1.337 -11.956 2.059 1.00 0.00 O ATOM 334 CB GLU A 24 3.252 -13.902 -0.095 1.00 0.00 C ATOM 335 CG GLU A 24 4.024 -15.184 -0.355 1.00 0.00 C ATOM 336 CD GLU A 24 5.203 -15.357 0.581 1.00 0.00 C ATOM 337 OE1 GLU A 24 6.191 -14.606 0.434 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.139 -16.241 1.461 1.00 0.00 O ATOM 0 H GLU A 24 1.066 -14.902 0.466 1.00 0.00 H new ATOM 0 HA GLU A 24 3.345 -14.276 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.450 -13.815 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.916 -13.051 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.352 -16.036 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.380 -15.186 -1.385 1.00 0.00 H new ATOM 345 N SER A 25 3.515 -11.579 1.641 1.00 0.00 N ATOM 346 CA SER A 25 3.451 -10.166 1.995 1.00 0.00 C ATOM 347 C SER A 25 3.893 -9.292 0.824 1.00 0.00 C ATOM 348 O SER A 25 4.761 -9.678 0.040 1.00 0.00 O ATOM 349 CB SER A 25 4.329 -9.884 3.216 1.00 0.00 C ATOM 350 OG SER A 25 5.699 -10.095 2.919 1.00 0.00 O ATOM 0 H SER A 25 4.438 -11.899 1.347 1.00 0.00 H new ATOM 0 HA SER A 25 2.416 -9.924 2.237 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.179 -8.856 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.029 -10.530 4.041 1.00 0.00 H new ATOM 0 HG SER A 25 6.239 -9.906 3.715 1.00 0.00 H new ATOM 356 N CYS A 26 3.289 -8.114 0.713 1.00 0.00 N ATOM 357 CA CYS A 26 3.619 -7.185 -0.362 1.00 0.00 C ATOM 358 C CYS A 26 3.923 -5.797 0.194 1.00 0.00 C ATOM 359 O CYS A 26 3.384 -5.399 1.227 1.00 0.00 O ATOM 360 CB CYS A 26 2.468 -7.105 -1.365 1.00 0.00 C ATOM 361 SG CYS A 26 1.186 -5.907 -0.925 1.00 0.00 S ATOM 0 H CYS A 26 2.569 -7.780 1.353 1.00 0.00 H new ATOM 0 HA CYS A 26 4.509 -7.556 -0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.871 -6.846 -2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.012 -8.091 -1.458 1.00 0.00 H new ATOM 0 HG CYS A 26 1.144 -4.967 -1.822 1.00 0.00 H new ATOM 367 N SER A 27 4.791 -5.066 -0.498 1.00 0.00 N ATOM 368 CA SER A 27 5.171 -3.724 -0.071 1.00 0.00 C ATOM 369 C SER A 27 4.927 -2.710 -1.185 1.00 0.00 C ATOM 370 O SER A 27 5.495 -2.816 -2.272 1.00 0.00 O ATOM 371 CB SER A 27 6.643 -3.697 0.345 1.00 0.00 C ATOM 372 OG SER A 27 7.494 -3.720 -0.788 1.00 0.00 O ATOM 0 H SER A 27 5.244 -5.380 -1.356 1.00 0.00 H new ATOM 0 HA SER A 27 4.553 -3.453 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.841 -2.802 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.859 -4.553 0.984 1.00 0.00 H new ATOM 0 HG SER A 27 6.962 -3.583 -1.600 1.00 0.00 H new ATOM 378 N PHE A 28 4.077 -1.728 -0.906 1.00 0.00 N ATOM 379 CA PHE A 28 3.756 -0.694 -1.883 1.00 0.00 C ATOM 380 C PHE A 28 4.640 0.534 -1.686 1.00 0.00 C ATOM 381 O PHE A 28 5.355 0.643 -0.691 1.00 0.00 O ATOM 382 CB PHE A 28 2.282 -0.298 -1.773 1.00 0.00 C ATOM 383 CG PHE A 28 1.349 -1.274 -2.431 1.00 0.00 C ATOM 384 CD1 PHE A 28 1.063 -1.175 -3.783 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.757 -2.290 -1.698 1.00 0.00 C ATOM 386 CE1 PHE A 28 0.205 -2.071 -4.392 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.101 -3.189 -2.301 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.379 -3.079 -3.650 1.00 0.00 C ATOM 0 H PHE A 28 3.598 -1.626 -0.011 1.00 0.00 H new ATOM 0 HA PHE A 28 3.943 -1.099 -2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.016 -0.207 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.143 0.685 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.516 -0.388 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.969 -2.380 -0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.009 -1.983 -5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.554 -3.977 -1.718 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.051 -3.779 -4.123 1.00 0.00 H new ATOM 398 N GLU A 29 4.585 1.455 -2.643 1.00 0.00 N ATOM 399 CA GLU A 29 5.381 2.675 -2.576 1.00 0.00 C ATOM 400 C GLU A 29 4.604 3.864 -3.132 1.00 0.00 C ATOM 401 O GLU A 29 3.962 3.765 -4.179 1.00 0.00 O ATOM 402 CB GLU A 29 6.689 2.499 -3.350 1.00 0.00 C ATOM 403 CG GLU A 29 7.378 1.170 -3.089 1.00 0.00 C ATOM 404 CD GLU A 29 8.646 1.001 -3.902 1.00 0.00 C ATOM 405 OE1 GLU A 29 8.571 1.101 -5.145 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.713 0.767 -3.297 1.00 0.00 O ATOM 0 H GLU A 29 3.998 1.380 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 29 5.610 2.872 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.485 2.589 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.369 3.309 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.618 1.091 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.691 0.357 -3.322 1.00 0.00 H new ATOM 413 N CYS A 30 4.665 4.986 -2.424 1.00 0.00 N ATOM 414 CA CYS A 30 3.966 6.195 -2.846 1.00 0.00 C ATOM 415 C CYS A 30 4.833 7.430 -2.625 1.00 0.00 C ATOM 416 O CYS A 30 5.112 7.811 -1.488 1.00 0.00 O ATOM 417 CB CYS A 30 2.648 6.340 -2.083 1.00 0.00 C ATOM 418 SG CYS A 30 1.613 7.709 -2.650 1.00 0.00 S ATOM 0 H CYS A 30 5.191 5.084 -1.556 1.00 0.00 H new ATOM 0 HA CYS A 30 3.753 6.108 -3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.085 5.411 -2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.867 6.479 -1.024 1.00 0.00 H new ATOM 0 HG CYS A 30 0.781 8.042 -1.709 1.00 0.00 H new ATOM 424 N VAL A 31 5.259 8.051 -3.721 1.00 0.00 N ATOM 425 CA VAL A 31 6.096 9.243 -3.647 1.00 0.00 C ATOM 426 C VAL A 31 5.329 10.482 -4.097 1.00 0.00 C ATOM 427 O VAL A 31 4.385 10.390 -4.884 1.00 0.00 O ATOM 428 CB VAL A 31 7.362 9.095 -4.512 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.386 10.158 -4.147 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.950 7.700 -4.358 1.00 0.00 C ATOM 0 H VAL A 31 5.038 7.749 -4.670 1.00 0.00 H new ATOM 0 HA VAL A 31 6.389 9.359 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 31 7.086 9.236 -5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.273 10.037 -4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.959 11.147 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.661 10.053 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.844 7.612 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.212 7.529 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.216 6.959 -4.674 1.00 0.00 H new ATOM 440 N LEU A 32 5.740 11.640 -3.593 1.00 0.00 N ATOM 441 CA LEU A 32 5.092 12.900 -3.944 1.00 0.00 C ATOM 442 C LEU A 32 5.872 13.629 -5.033 1.00 0.00 C ATOM 443 O LEU A 32 6.985 13.236 -5.382 1.00 0.00 O ATOM 444 CB LEU A 32 4.964 13.791 -2.708 1.00 0.00 C ATOM 445 CG LEU A 32 4.172 13.207 -1.537 1.00 0.00 C ATOM 446 CD1 LEU A 32 4.063 14.219 -0.408 1.00 0.00 C ATOM 447 CD2 LEU A 32 2.790 12.765 -1.996 1.00 0.00 C ATOM 0 H LEU A 32 6.518 11.733 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 32 4.096 12.674 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.966 14.036 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.494 14.728 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 32 4.705 12.333 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.496 13.785 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.061 14.486 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.553 15.113 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.240 12.352 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.249 13.622 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.890 12.004 -2.770 1.00 0.00 H new ATOM 459 N SER A 33 5.281 14.695 -5.564 1.00 0.00 N ATOM 460 CA SER A 33 5.920 15.479 -6.614 1.00 0.00 C ATOM 461 C SER A 33 7.121 16.244 -6.067 1.00 0.00 C ATOM 462 O SER A 33 8.176 16.302 -6.699 1.00 0.00 O ATOM 463 CB SER A 33 4.918 16.455 -7.233 1.00 0.00 C ATOM 464 OG SER A 33 4.374 17.319 -6.250 1.00 0.00 O ATOM 0 H SER A 33 4.361 15.035 -5.284 1.00 0.00 H new ATOM 0 HA SER A 33 6.270 14.791 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.410 17.044 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.115 15.899 -7.717 1.00 0.00 H new ATOM 0 HG SER A 33 3.598 16.891 -5.831 1.00 0.00 H new ATOM 470 N HIS A 34 6.953 16.831 -4.886 1.00 0.00 N ATOM 471 CA HIS A 34 8.022 17.593 -4.251 1.00 0.00 C ATOM 472 C HIS A 34 8.375 17.003 -2.889 1.00 0.00 C ATOM 473 O HIS A 34 7.513 16.469 -2.191 1.00 0.00 O ATOM 474 CB HIS A 34 7.610 19.057 -4.094 1.00 0.00 C ATOM 475 CG HIS A 34 7.954 19.906 -5.279 1.00 0.00 C ATOM 476 ND1 HIS A 34 8.682 21.073 -5.183 1.00 0.00 N ATOM 477 CD2 HIS A 34 7.665 19.751 -6.593 1.00 0.00 C ATOM 478 CE1 HIS A 34 8.826 21.600 -6.386 1.00 0.00 C ATOM 479 NE2 HIS A 34 8.218 20.817 -7.259 1.00 0.00 N ATOM 0 H HIS A 34 6.086 16.793 -4.349 1.00 0.00 H new ATOM 0 HA HIS A 34 8.903 17.538 -4.891 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.535 19.107 -3.921 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.094 19.469 -3.209 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.104 18.940 -7.035 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.351 22.515 -6.616 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.167 20.978 -8.265 1.00 0.00 H new ATOM 488 N GLU A 35 9.648 17.102 -2.518 1.00 0.00 N ATOM 489 CA GLU A 35 10.114 16.577 -1.240 1.00 0.00 C ATOM 490 C GLU A 35 9.687 17.485 -0.090 1.00 0.00 C ATOM 491 O GLU A 35 10.349 18.479 0.208 1.00 0.00 O ATOM 492 CB GLU A 35 11.636 16.428 -1.249 1.00 0.00 C ATOM 493 CG GLU A 35 12.204 15.901 0.058 1.00 0.00 C ATOM 494 CD GLU A 35 13.623 16.374 0.310 1.00 0.00 C ATOM 495 OE1 GLU A 35 14.488 16.150 -0.563 1.00 0.00 O ATOM 496 OE2 GLU A 35 13.868 16.968 1.381 1.00 0.00 O ATOM 0 H GLU A 35 10.374 17.541 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 35 9.661 15.596 -1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.922 15.755 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.086 17.397 -1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.567 16.221 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.185 14.811 0.045 1.00 0.00 H new ATOM 503 N SER A 36 8.577 17.136 0.552 1.00 0.00 N ATOM 504 CA SER A 36 8.059 17.921 1.666 1.00 0.00 C ATOM 505 C SER A 36 7.255 17.044 2.621 1.00 0.00 C ATOM 506 O SER A 36 6.455 16.213 2.193 1.00 0.00 O ATOM 507 CB SER A 36 7.186 19.065 1.149 1.00 0.00 C ATOM 508 OG SER A 36 6.884 19.984 2.184 1.00 0.00 O ATOM 0 H SER A 36 8.019 16.314 0.320 1.00 0.00 H new ATOM 0 HA SER A 36 8.907 18.338 2.210 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.700 19.581 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.262 18.663 0.735 1.00 0.00 H new ATOM 0 HG SER A 36 6.326 20.707 1.827 1.00 0.00 H new ATOM 514 N ALA A 37 7.475 17.236 3.918 1.00 0.00 N ATOM 515 CA ALA A 37 6.770 16.465 4.934 1.00 0.00 C ATOM 516 C ALA A 37 6.104 17.382 5.955 1.00 0.00 C ATOM 517 O ALA A 37 6.745 17.842 6.901 1.00 0.00 O ATOM 518 CB ALA A 37 7.726 15.506 5.627 1.00 0.00 C ATOM 0 H ALA A 37 8.136 17.919 4.289 1.00 0.00 H new ATOM 0 HA ALA A 37 5.989 15.887 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.186 14.937 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.151 14.822 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.528 16.071 6.102 1.00 0.00 H new ATOM 524 N SER A 38 4.816 17.644 5.758 1.00 0.00 N ATOM 525 CA SER A 38 4.065 18.510 6.659 1.00 0.00 C ATOM 526 C SER A 38 2.956 17.732 7.361 1.00 0.00 C ATOM 527 O SER A 38 2.640 17.991 8.522 1.00 0.00 O ATOM 528 CB SER A 38 3.468 19.688 5.888 1.00 0.00 C ATOM 529 OG SER A 38 4.440 20.301 5.059 1.00 0.00 O ATOM 0 H SER A 38 4.271 17.269 4.982 1.00 0.00 H new ATOM 0 HA SER A 38 4.752 18.891 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.633 19.342 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.069 20.421 6.589 1.00 0.00 H new ATOM 0 HG SER A 38 4.032 21.050 4.576 1.00 0.00 H new ATOM 535 N ASP A 39 2.369 16.777 6.648 1.00 0.00 N ATOM 536 CA ASP A 39 1.296 15.960 7.201 1.00 0.00 C ATOM 537 C ASP A 39 1.569 14.476 6.971 1.00 0.00 C ATOM 538 O ASP A 39 2.145 14.076 5.960 1.00 0.00 O ATOM 539 CB ASP A 39 -0.044 16.348 6.575 1.00 0.00 C ATOM 540 CG ASP A 39 -0.538 17.698 7.054 1.00 0.00 C ATOM 541 OD1 ASP A 39 -0.003 18.725 6.587 1.00 0.00 O ATOM 542 OD2 ASP A 39 -1.459 17.729 7.898 1.00 0.00 O ATOM 0 H ASP A 39 2.619 16.550 5.685 1.00 0.00 H new ATOM 0 HA ASP A 39 1.252 16.141 8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.057 16.366 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.787 15.587 6.814 1.00 0.00 H new ATOM 547 N PRO A 40 1.147 13.641 7.932 1.00 0.00 N ATOM 548 CA PRO A 40 1.335 12.189 7.857 1.00 0.00 C ATOM 549 C PRO A 40 0.467 11.547 6.780 1.00 0.00 C ATOM 550 O PRO A 40 -0.193 12.240 6.007 1.00 0.00 O ATOM 551 CB PRO A 40 0.911 11.704 9.246 1.00 0.00 C ATOM 552 CG PRO A 40 -0.032 12.747 9.739 1.00 0.00 C ATOM 553 CD PRO A 40 0.453 14.049 9.165 1.00 0.00 C ATOM 0 HA PRO A 40 2.358 11.924 7.592 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.430 10.727 9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.770 11.602 9.909 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.052 12.535 9.417 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.042 12.780 10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.373 14.728 8.955 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.124 14.566 9.851 1.00 0.00 H new ATOM 561 N ALA A 41 0.472 10.218 6.737 1.00 0.00 N ATOM 562 CA ALA A 41 -0.317 9.483 5.757 1.00 0.00 C ATOM 563 C ALA A 41 -1.161 8.405 6.429 1.00 0.00 C ATOM 564 O ALA A 41 -0.675 7.670 7.288 1.00 0.00 O ATOM 565 CB ALA A 41 0.591 8.866 4.704 1.00 0.00 C ATOM 0 H ALA A 41 1.014 9.629 7.370 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.993 10.186 5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.012 8.320 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.146 9.654 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.291 8.181 5.183 1.00 0.00 H new ATOM 571 N MET A 42 -2.426 8.316 6.031 1.00 0.00 N ATOM 572 CA MET A 42 -3.336 7.327 6.596 1.00 0.00 C ATOM 573 C MET A 42 -3.584 6.190 5.608 1.00 0.00 C ATOM 574 O MET A 42 -4.403 6.314 4.698 1.00 0.00 O ATOM 575 CB MET A 42 -4.664 7.983 6.978 1.00 0.00 C ATOM 576 CG MET A 42 -5.452 7.201 8.016 1.00 0.00 C ATOM 577 SD MET A 42 -7.080 7.910 8.332 1.00 0.00 S ATOM 578 CE MET A 42 -8.029 6.433 8.688 1.00 0.00 C ATOM 0 H MET A 42 -2.844 8.916 5.320 1.00 0.00 H new ATOM 0 HA MET A 42 -2.872 6.914 7.492 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.468 8.984 7.361 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.274 8.098 6.082 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.568 6.171 7.678 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.887 7.169 8.947 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.061 6.579 8.370 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.600 5.587 8.151 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.004 6.234 9.759 1.00 0.00 H new ATOM 588 N TRP A 43 -2.871 5.086 5.794 1.00 0.00 N ATOM 589 CA TRP A 43 -3.014 3.928 4.919 1.00 0.00 C ATOM 590 C TRP A 43 -4.355 3.238 5.144 1.00 0.00 C ATOM 591 O TRP A 43 -4.673 2.823 6.259 1.00 0.00 O ATOM 592 CB TRP A 43 -1.871 2.939 5.157 1.00 0.00 C ATOM 593 CG TRP A 43 -0.552 3.417 4.630 1.00 0.00 C ATOM 594 CD1 TRP A 43 0.444 4.021 5.342 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.088 3.333 3.279 1.00 0.00 C ATOM 596 NE1 TRP A 43 1.500 4.317 4.515 1.00 0.00 N ATOM 597 CE2 TRP A 43 1.199 3.905 3.244 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.633 2.828 2.095 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.946 3.986 2.072 1.00 0.00 C ATOM 600 CZ3 TRP A 43 0.110 2.910 0.932 1.00 0.00 C ATOM 601 CH2 TRP A 43 1.388 3.484 0.927 1.00 0.00 C ATOM 0 H TRP A 43 -2.188 4.968 6.542 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.975 4.276 3.887 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.780 2.751 6.227 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.119 1.988 4.686 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.407 4.235 6.400 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.368 4.770 4.801 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.617 2.382 2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.931 4.429 2.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.302 2.525 0.011 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.944 3.531 0.002 1.00 0.00 H new ATOM 612 N THR A 44 -5.139 3.117 4.077 1.00 0.00 N ATOM 613 CA THR A 44 -6.447 2.478 4.158 1.00 0.00 C ATOM 614 C THR A 44 -6.597 1.397 3.094 1.00 0.00 C ATOM 615 O THR A 44 -6.695 1.694 1.903 1.00 0.00 O ATOM 616 CB THR A 44 -7.584 3.504 3.997 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.285 4.402 2.923 1.00 0.00 O ATOM 618 CG2 THR A 44 -7.789 4.292 5.282 1.00 0.00 C ATOM 0 H THR A 44 -4.891 3.453 3.147 1.00 0.00 H new ATOM 0 HA THR A 44 -6.516 2.023 5.146 1.00 0.00 H new ATOM 0 HB THR A 44 -8.503 2.962 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.645 3.980 2.312 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.597 5.010 5.143 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.046 3.608 6.091 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.871 4.823 5.534 1.00 0.00 H new ATOM 626 N VAL A 45 -6.617 0.142 3.531 1.00 0.00 N ATOM 627 CA VAL A 45 -6.758 -0.984 2.615 1.00 0.00 C ATOM 628 C VAL A 45 -7.983 -1.823 2.961 1.00 0.00 C ATOM 629 O VAL A 45 -8.096 -2.349 4.067 1.00 0.00 O ATOM 630 CB VAL A 45 -5.509 -1.885 2.637 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.282 -2.450 4.032 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.642 -3.004 1.615 1.00 0.00 C ATOM 0 H VAL A 45 -6.537 -0.121 4.513 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.878 -0.566 1.615 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.642 -1.281 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.395 -3.084 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.140 -1.631 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.148 -3.040 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.751 -3.631 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.519 -3.608 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.752 -2.576 0.619 1.00 0.00 H new ATOM 642 N GLY A 46 -8.899 -1.945 2.005 1.00 0.00 N ATOM 643 CA GLY A 46 -10.105 -2.722 2.227 1.00 0.00 C ATOM 644 C GLY A 46 -11.208 -1.908 2.872 1.00 0.00 C ATOM 645 O GLY A 46 -12.372 -2.011 2.487 1.00 0.00 O ATOM 0 H GLY A 46 -8.828 -1.520 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.459 -3.118 1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.871 -3.577 2.861 1.00 0.00 H new ATOM 649 N GLY A 47 -10.843 -1.096 3.860 1.00 0.00 N ATOM 650 CA GLY A 47 -11.823 -0.274 4.546 1.00 0.00 C ATOM 651 C GLY A 47 -11.605 -0.242 6.046 1.00 0.00 C ATOM 652 O GLY A 47 -12.551 -0.379 6.822 1.00 0.00 O ATOM 0 H GLY A 47 -9.886 -0.993 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.779 0.742 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.823 -0.654 4.335 1.00 0.00 H new ATOM 656 N LYS A 48 -10.354 -0.062 6.456 1.00 0.00 N ATOM 657 CA LYS A 48 -10.013 -0.013 7.873 1.00 0.00 C ATOM 658 C LYS A 48 -8.716 0.760 8.094 1.00 0.00 C ATOM 659 O LYS A 48 -7.941 0.973 7.161 1.00 0.00 O ATOM 660 CB LYS A 48 -9.876 -1.429 8.436 1.00 0.00 C ATOM 661 CG LYS A 48 -11.103 -2.296 8.206 1.00 0.00 C ATOM 662 CD LYS A 48 -10.991 -3.624 8.935 1.00 0.00 C ATOM 663 CE LYS A 48 -10.136 -4.615 8.160 1.00 0.00 C ATOM 664 NZ LYS A 48 -10.126 -5.959 8.801 1.00 0.00 N ATOM 0 H LYS A 48 -9.559 0.052 5.827 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.818 0.503 8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.011 -1.910 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.680 -1.368 9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.993 -1.767 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.228 -2.475 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.558 -3.463 9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.986 -4.042 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.514 -4.701 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.116 -4.238 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.533 -6.605 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.742 -5.881 9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.097 -6.330 8.844 1.00 0.00 H new ATOM 678 N THR A 49 -8.485 1.177 9.335 1.00 0.00 N ATOM 679 CA THR A 49 -7.283 1.926 9.678 1.00 0.00 C ATOM 680 C THR A 49 -6.157 0.992 10.105 1.00 0.00 C ATOM 681 O THR A 49 -6.146 0.489 11.229 1.00 0.00 O ATOM 682 CB THR A 49 -7.553 2.936 10.809 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.826 3.563 10.612 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.463 3.995 10.861 1.00 0.00 C ATOM 0 H THR A 49 -9.115 1.008 10.119 1.00 0.00 H new ATOM 0 HA THR A 49 -6.982 2.468 8.781 1.00 0.00 H new ATOM 0 HB THR A 49 -7.557 2.396 11.756 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.991 4.202 11.336 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.676 4.697 11.667 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.500 3.517 11.040 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.431 4.531 9.913 1.00 0.00 H new ATOM 692 N VAL A 50 -5.209 0.763 9.202 1.00 0.00 N ATOM 693 CA VAL A 50 -4.076 -0.110 9.486 1.00 0.00 C ATOM 694 C VAL A 50 -2.890 0.685 10.020 1.00 0.00 C ATOM 695 O VAL A 50 -2.787 1.890 9.799 1.00 0.00 O ATOM 696 CB VAL A 50 -3.637 -0.887 8.231 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.837 -1.533 7.556 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.903 0.032 7.266 1.00 0.00 C ATOM 0 H VAL A 50 -5.203 1.170 8.267 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.406 -0.819 10.245 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.952 -1.678 8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.507 -2.078 6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.316 -2.224 8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.549 -0.761 7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.600 -0.533 6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.563 0.846 6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.020 0.443 7.755 1.00 0.00 H new ATOM 708 N GLY A 51 -1.994 0.000 10.725 1.00 0.00 N ATOM 709 CA GLY A 51 -0.825 0.658 11.279 1.00 0.00 C ATOM 710 C GLY A 51 -0.628 0.349 12.750 1.00 0.00 C ATOM 711 O GLY A 51 0.477 0.476 13.275 1.00 0.00 O ATOM 0 H GLY A 51 -2.057 -0.999 10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.060 0.347 10.724 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.922 1.736 11.147 1.00 0.00 H new ATOM 715 N SER A 52 -1.704 -0.057 13.416 1.00 0.00 N ATOM 716 CA SER A 52 -1.646 -0.380 14.837 1.00 0.00 C ATOM 717 C SER A 52 -1.241 -1.836 15.047 1.00 0.00 C ATOM 718 O SER A 52 -1.993 -2.625 15.620 1.00 0.00 O ATOM 719 CB SER A 52 -3.000 -0.115 15.498 1.00 0.00 C ATOM 720 OG SER A 52 -2.968 -0.444 16.876 1.00 0.00 O ATOM 0 H SER A 52 -2.626 -0.170 12.995 1.00 0.00 H new ATOM 0 HA SER A 52 -0.893 0.259 15.299 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.268 0.935 15.378 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.773 -0.700 14.999 1.00 0.00 H new ATOM 0 HG SER A 52 -2.828 -1.408 16.979 1.00 0.00 H new ATOM 726 N SER A 53 -0.047 -2.186 14.578 1.00 0.00 N ATOM 727 CA SER A 53 0.457 -3.547 14.711 1.00 0.00 C ATOM 728 C SER A 53 -0.606 -4.563 14.303 1.00 0.00 C ATOM 729 O SER A 53 -0.644 -5.679 14.820 1.00 0.00 O ATOM 730 CB SER A 53 0.905 -3.810 16.150 1.00 0.00 C ATOM 731 OG SER A 53 -0.190 -3.738 17.046 1.00 0.00 O ATOM 0 H SER A 53 0.589 -1.545 14.103 1.00 0.00 H new ATOM 0 HA SER A 53 1.314 -3.657 14.046 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.369 -4.794 16.216 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.663 -3.081 16.437 1.00 0.00 H new ATOM 0 HG SER A 53 -1.027 -3.707 16.538 1.00 0.00 H new ATOM 737 N SER A 54 -1.469 -4.166 13.373 1.00 0.00 N ATOM 738 CA SER A 54 -2.536 -5.039 12.898 1.00 0.00 C ATOM 739 C SER A 54 -2.185 -5.635 11.539 1.00 0.00 C ATOM 740 O SER A 54 -2.910 -5.449 10.561 1.00 0.00 O ATOM 741 CB SER A 54 -3.852 -4.265 12.804 1.00 0.00 C ATOM 742 OG SER A 54 -4.398 -4.028 14.090 1.00 0.00 O ATOM 0 H SER A 54 -1.450 -3.246 12.934 1.00 0.00 H new ATOM 0 HA SER A 54 -2.652 -5.853 13.613 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.683 -3.315 12.297 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.565 -4.826 12.201 1.00 0.00 H new ATOM 0 HG SER A 54 -3.732 -3.577 14.650 1.00 0.00 H new ATOM 748 N ARG A 55 -1.068 -6.354 11.485 1.00 0.00 N ATOM 749 CA ARG A 55 -0.619 -6.977 10.246 1.00 0.00 C ATOM 750 C ARG A 55 -0.312 -5.923 9.187 1.00 0.00 C ATOM 751 O ARG A 55 -0.446 -6.173 7.989 1.00 0.00 O ATOM 752 CB ARG A 55 -1.682 -7.946 9.723 1.00 0.00 C ATOM 753 CG ARG A 55 -1.540 -9.358 10.267 1.00 0.00 C ATOM 754 CD ARG A 55 -2.880 -10.075 10.313 1.00 0.00 C ATOM 755 NE ARG A 55 -2.914 -11.106 11.346 1.00 0.00 N ATOM 756 CZ ARG A 55 -2.276 -12.267 11.247 1.00 0.00 C ATOM 757 NH1 ARG A 55 -1.559 -12.543 10.167 1.00 0.00 N ATOM 758 NH2 ARG A 55 -2.355 -13.155 12.230 1.00 0.00 N ATOM 0 H ARG A 55 -0.458 -6.519 12.285 1.00 0.00 H new ATOM 0 HA ARG A 55 0.296 -7.531 10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.669 -7.563 9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.628 -7.978 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.846 -9.921 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.111 -9.322 11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.673 -9.350 10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.082 -10.528 9.342 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.457 -10.925 12.190 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.496 -11.863 9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.070 -13.435 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.906 -12.946 13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.865 -14.046 12.153 1.00 0.00 H new ATOM 772 N PHE A 56 0.101 -4.742 9.637 1.00 0.00 N ATOM 773 CA PHE A 56 0.426 -3.649 8.729 1.00 0.00 C ATOM 774 C PHE A 56 1.477 -2.728 9.341 1.00 0.00 C ATOM 775 O PHE A 56 1.351 -2.302 10.488 1.00 0.00 O ATOM 776 CB PHE A 56 -0.833 -2.849 8.389 1.00 0.00 C ATOM 777 CG PHE A 56 -1.652 -3.459 7.287 1.00 0.00 C ATOM 778 CD1 PHE A 56 -1.315 -3.251 5.959 1.00 0.00 C ATOM 779 CD2 PHE A 56 -2.758 -4.240 7.579 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.067 -3.810 4.944 1.00 0.00 C ATOM 781 CE2 PHE A 56 -3.514 -4.803 6.568 1.00 0.00 C ATOM 782 CZ PHE A 56 -3.167 -4.588 5.248 1.00 0.00 C ATOM 0 H PHE A 56 0.218 -4.518 10.625 1.00 0.00 H new ATOM 0 HA PHE A 56 0.833 -4.079 7.814 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.450 -2.761 9.283 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.545 -1.838 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.455 -2.645 5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.033 -4.411 8.609 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.795 -3.639 3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.374 -5.410 6.809 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.755 -5.027 4.456 1.00 0.00 H new ATOM 792 N GLN A 57 2.514 -2.427 8.566 1.00 0.00 N ATOM 793 CA GLN A 57 3.589 -1.558 9.032 1.00 0.00 C ATOM 794 C GLN A 57 3.799 -0.390 8.074 1.00 0.00 C ATOM 795 O GLN A 57 4.141 -0.585 6.908 1.00 0.00 O ATOM 796 CB GLN A 57 4.888 -2.352 9.180 1.00 0.00 C ATOM 797 CG GLN A 57 5.956 -1.627 9.981 1.00 0.00 C ATOM 798 CD GLN A 57 5.710 -1.692 11.476 1.00 0.00 C ATOM 799 OE1 GLN A 57 4.594 -1.961 11.921 1.00 0.00 O ATOM 800 NE2 GLN A 57 6.753 -1.447 12.259 1.00 0.00 N ATOM 0 H GLN A 57 2.633 -2.772 7.613 1.00 0.00 H new ATOM 0 HA GLN A 57 3.303 -1.159 10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.669 -3.305 9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.280 -2.579 8.189 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.930 -2.062 9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.994 -0.584 9.668 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.660 -1.228 11.847 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.648 -1.478 13.273 1.00 0.00 H new ATOM 809 N ALA A 58 3.591 0.824 8.574 1.00 0.00 N ATOM 810 CA ALA A 58 3.760 2.023 7.762 1.00 0.00 C ATOM 811 C ALA A 58 5.097 2.697 8.050 1.00 0.00 C ATOM 812 O ALA A 58 5.239 3.422 9.036 1.00 0.00 O ATOM 813 CB ALA A 58 2.613 2.992 8.009 1.00 0.00 C ATOM 0 H ALA A 58 3.305 1.003 9.537 1.00 0.00 H new ATOM 0 HA ALA A 58 3.752 1.727 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.751 3.883 7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.670 2.514 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.595 3.274 9.062 1.00 0.00 H new ATOM 819 N THR A 59 6.076 2.454 7.185 1.00 0.00 N ATOM 820 CA THR A 59 7.402 3.036 7.347 1.00 0.00 C ATOM 821 C THR A 59 7.544 4.317 6.534 1.00 0.00 C ATOM 822 O THR A 59 6.929 4.464 5.477 1.00 0.00 O ATOM 823 CB THR A 59 8.505 2.048 6.924 1.00 0.00 C ATOM 824 OG1 THR A 59 8.711 2.121 5.509 1.00 0.00 O ATOM 825 CG2 THR A 59 8.136 0.625 7.315 1.00 0.00 C ATOM 0 H THR A 59 5.975 1.857 6.364 1.00 0.00 H new ATOM 0 HA THR A 59 7.518 3.267 8.406 1.00 0.00 H new ATOM 0 HB THR A 59 9.425 2.322 7.440 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.239 2.919 5.296 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.930 -0.055 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.008 0.566 8.396 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.205 0.342 6.824 1.00 0.00 H new ATOM 833 N ARG A 60 8.358 5.242 7.032 1.00 0.00 N ATOM 834 CA ARG A 60 8.579 6.512 6.350 1.00 0.00 C ATOM 835 C ARG A 60 10.043 6.665 5.949 1.00 0.00 C ATOM 836 O ARG A 60 10.945 6.418 6.750 1.00 0.00 O ATOM 837 CB ARG A 60 8.160 7.677 7.249 1.00 0.00 C ATOM 838 CG ARG A 60 7.919 8.973 6.492 1.00 0.00 C ATOM 839 CD ARG A 60 6.473 9.091 6.036 1.00 0.00 C ATOM 840 NE ARG A 60 5.537 8.972 7.151 1.00 0.00 N ATOM 841 CZ ARG A 60 5.390 9.900 8.090 1.00 0.00 C ATOM 842 NH1 ARG A 60 6.115 11.009 8.050 1.00 0.00 N ATOM 843 NH2 ARG A 60 4.517 9.719 9.073 1.00 0.00 N ATOM 0 H ARG A 60 8.875 5.136 7.905 1.00 0.00 H new ATOM 0 HA ARG A 60 7.970 6.522 5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.250 7.404 7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.933 7.842 7.999 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.171 9.820 7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.580 9.018 5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.326 10.051 5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.260 8.316 5.300 1.00 0.00 H new ATOM 0 HE ARG A 60 4.965 8.130 7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.788 11.152 7.297 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.000 11.720 8.772 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.958 8.867 9.108 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.405 10.432 9.793 1.00 0.00 H new ATOM 857 N GLN A 61 10.271 7.074 4.705 1.00 0.00 N ATOM 858 CA GLN A 61 11.626 7.259 4.198 1.00 0.00 C ATOM 859 C GLN A 61 11.753 8.584 3.455 1.00 0.00 C ATOM 860 O GLN A 61 11.312 8.712 2.313 1.00 0.00 O ATOM 861 CB GLN A 61 12.009 6.103 3.272 1.00 0.00 C ATOM 862 CG GLN A 61 12.502 4.869 4.011 1.00 0.00 C ATOM 863 CD GLN A 61 11.379 3.913 4.365 1.00 0.00 C ATOM 864 OE1 GLN A 61 10.201 4.246 4.235 1.00 0.00 O ATOM 865 NE2 GLN A 61 11.740 2.718 4.817 1.00 0.00 N ATOM 0 H GLN A 61 9.536 7.283 4.030 1.00 0.00 H new ATOM 0 HA GLN A 61 12.306 7.274 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.144 5.832 2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.786 6.440 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.235 4.350 3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.013 5.177 4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.729 2.485 4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.029 2.033 5.073 1.00 0.00 H new ATOM 874 N GLY A 62 12.358 9.569 4.111 1.00 0.00 N ATOM 875 CA GLY A 62 12.532 10.873 3.497 1.00 0.00 C ATOM 876 C GLY A 62 11.215 11.496 3.078 1.00 0.00 C ATOM 877 O GLY A 62 10.485 12.038 3.908 1.00 0.00 O ATOM 0 H GLY A 62 12.731 9.488 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.038 11.537 4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.179 10.777 2.625 1.00 0.00 H new ATOM 881 N ARG A 63 10.912 11.422 1.786 1.00 0.00 N ATOM 882 CA ARG A 63 9.676 11.986 1.258 1.00 0.00 C ATOM 883 C ARG A 63 8.816 10.904 0.612 1.00 0.00 C ATOM 884 O ARG A 63 7.883 11.200 -0.134 1.00 0.00 O ATOM 885 CB ARG A 63 9.985 13.083 0.238 1.00 0.00 C ATOM 886 CG ARG A 63 10.853 12.613 -0.917 1.00 0.00 C ATOM 887 CD ARG A 63 10.012 12.050 -2.053 1.00 0.00 C ATOM 888 NE ARG A 63 10.793 11.865 -3.273 1.00 0.00 N ATOM 889 CZ ARG A 63 11.060 12.845 -4.129 1.00 0.00 C ATOM 890 NH1 ARG A 63 10.612 14.071 -3.900 1.00 0.00 N ATOM 891 NH2 ARG A 63 11.778 12.598 -5.218 1.00 0.00 N ATOM 0 H ARG A 63 11.506 10.977 1.086 1.00 0.00 H new ATOM 0 HA ARG A 63 9.120 12.419 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.048 13.473 -0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.485 13.908 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.453 13.445 -1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.548 11.851 -0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.584 11.095 -1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.178 12.723 -2.255 1.00 0.00 H new ATOM 0 HE ARG A 63 11.153 10.933 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.060 14.265 -3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.819 14.821 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.125 11.656 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.983 13.351 -5.875 1.00 0.00 H new ATOM 905 N LYS A 64 9.139 9.648 0.902 1.00 0.00 N ATOM 906 CA LYS A 64 8.397 8.520 0.351 1.00 0.00 C ATOM 907 C LYS A 64 7.710 7.727 1.458 1.00 0.00 C ATOM 908 O LYS A 64 8.168 7.712 2.600 1.00 0.00 O ATOM 909 CB LYS A 64 9.335 7.605 -0.440 1.00 0.00 C ATOM 910 CG LYS A 64 8.754 6.228 -0.713 1.00 0.00 C ATOM 911 CD LYS A 64 9.804 5.278 -1.263 1.00 0.00 C ATOM 912 CE LYS A 64 10.199 5.646 -2.685 1.00 0.00 C ATOM 913 NZ LYS A 64 11.157 6.786 -2.718 1.00 0.00 N ATOM 0 H LYS A 64 9.910 9.386 1.516 1.00 0.00 H new ATOM 0 HA LYS A 64 7.631 8.913 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.579 8.082 -1.389 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.269 7.493 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.338 5.819 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.932 6.314 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.686 5.298 -0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.419 4.258 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.648 4.781 -3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.306 5.905 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.678 7.632 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.503 6.977 -1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.960 6.547 -3.334 1.00 0.00 H new ATOM 927 N TYR A 65 6.610 7.068 1.111 1.00 0.00 N ATOM 928 CA TYR A 65 5.859 6.273 2.076 1.00 0.00 C ATOM 929 C TYR A 65 5.771 4.817 1.631 1.00 0.00 C ATOM 930 O TYR A 65 5.619 4.527 0.444 1.00 0.00 O ATOM 931 CB TYR A 65 4.454 6.849 2.259 1.00 0.00 C ATOM 932 CG TYR A 65 4.444 8.310 2.647 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.880 9.287 1.760 1.00 0.00 C ATOM 934 CD2 TYR A 65 4.000 8.714 3.899 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.873 10.624 2.109 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.988 10.049 4.257 1.00 0.00 C ATOM 937 CZ TYR A 65 4.426 10.999 3.359 1.00 0.00 C ATOM 938 OH TYR A 65 4.417 12.329 3.712 1.00 0.00 O ATOM 0 H TYR A 65 6.219 7.068 0.169 1.00 0.00 H new ATOM 0 HA TYR A 65 6.386 6.311 3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.896 6.724 1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.932 6.275 3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.230 8.996 0.781 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.658 7.972 4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.215 11.371 1.408 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.638 10.346 5.234 1.00 0.00 H new ATOM 0 HH TYR A 65 4.072 12.423 4.625 1.00 0.00 H new ATOM 948 N ILE A 66 5.866 3.904 2.592 1.00 0.00 N ATOM 949 CA ILE A 66 5.794 2.478 2.301 1.00 0.00 C ATOM 950 C ILE A 66 4.910 1.754 3.310 1.00 0.00 C ATOM 951 O ILE A 66 4.936 2.055 4.504 1.00 0.00 O ATOM 952 CB ILE A 66 7.192 1.832 2.304 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.110 2.545 1.309 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.092 0.351 1.973 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.570 2.512 1.703 1.00 0.00 C ATOM 0 H ILE A 66 5.993 4.127 3.579 1.00 0.00 H new ATOM 0 HA ILE A 66 5.359 2.381 1.306 1.00 0.00 H new ATOM 0 HB ILE A 66 7.620 1.933 3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.996 2.084 0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.791 3.583 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.088 -0.091 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.469 -0.147 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.646 0.228 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.161 3.036 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.697 2.999 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.905 1.477 1.771 1.00 0.00 H new ATOM 967 N LEU A 67 4.128 0.797 2.824 1.00 0.00 N ATOM 968 CA LEU A 67 3.235 0.027 3.683 1.00 0.00 C ATOM 969 C LEU A 67 3.463 -1.470 3.503 1.00 0.00 C ATOM 970 O LEU A 67 3.196 -2.026 2.437 1.00 0.00 O ATOM 971 CB LEU A 67 1.777 0.373 3.378 1.00 0.00 C ATOM 972 CG LEU A 67 0.722 -0.456 4.113 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.596 0.001 5.558 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.620 -0.362 3.402 1.00 0.00 C ATOM 0 H LEU A 67 4.094 0.535 1.839 1.00 0.00 H new ATOM 0 HA LEU A 67 3.454 0.287 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.616 1.424 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.615 0.262 2.306 1.00 0.00 H new ATOM 0 HG LEU A 67 1.039 -1.499 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.159 -0.600 6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.555 -0.119 6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.302 1.050 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.359 -0.958 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.944 0.678 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.520 -0.739 2.384 1.00 0.00 H new ATOM 986 N VAL A 68 3.956 -2.120 4.553 1.00 0.00 N ATOM 987 CA VAL A 68 4.217 -3.554 4.512 1.00 0.00 C ATOM 988 C VAL A 68 2.953 -4.351 4.815 1.00 0.00 C ATOM 989 O VAL A 68 2.434 -4.312 5.931 1.00 0.00 O ATOM 990 CB VAL A 68 5.315 -3.953 5.514 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.563 -5.453 5.465 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.597 -3.183 5.235 1.00 0.00 C ATOM 0 H VAL A 68 4.183 -1.676 5.443 1.00 0.00 H new ATOM 0 HA VAL A 68 4.556 -3.786 3.502 1.00 0.00 H new ATOM 0 HB VAL A 68 4.976 -3.697 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.342 -5.716 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.644 -5.982 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.880 -5.737 4.462 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.362 -3.478 5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.942 -3.405 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.406 -2.114 5.327 1.00 0.00 H new ATOM 1002 N VAL A 69 2.461 -5.073 3.813 1.00 0.00 N ATOM 1003 CA VAL A 69 1.258 -5.882 3.972 1.00 0.00 C ATOM 1004 C VAL A 69 1.606 -7.311 4.372 1.00 0.00 C ATOM 1005 O VAL A 69 1.886 -8.154 3.520 1.00 0.00 O ATOM 1006 CB VAL A 69 0.426 -5.910 2.677 1.00 0.00 C ATOM 1007 CG1 VAL A 69 -0.959 -6.481 2.944 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.330 -4.517 2.075 1.00 0.00 C ATOM 0 H VAL A 69 2.877 -5.114 2.883 1.00 0.00 H new ATOM 0 HA VAL A 69 0.668 -5.420 4.764 1.00 0.00 H new ATOM 0 HB VAL A 69 0.927 -6.558 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.533 -6.493 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.866 -7.498 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.472 -5.862 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.262 -4.556 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.148 -3.845 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.330 -4.150 1.845 1.00 0.00 H new ATOM 1018 N ARG A 70 1.585 -7.578 5.674 1.00 0.00 N ATOM 1019 CA ARG A 70 1.899 -8.906 6.187 1.00 0.00 C ATOM 1020 C ARG A 70 0.699 -9.838 6.052 1.00 0.00 C ATOM 1021 O ARG A 70 0.737 -10.983 6.501 1.00 0.00 O ATOM 1022 CB ARG A 70 2.330 -8.821 7.652 1.00 0.00 C ATOM 1023 CG ARG A 70 3.709 -8.211 7.847 1.00 0.00 C ATOM 1024 CD ARG A 70 3.956 -7.846 9.302 1.00 0.00 C ATOM 1025 NE ARG A 70 4.110 -9.029 10.145 1.00 0.00 N ATOM 1026 CZ ARG A 70 4.244 -8.978 11.465 1.00 0.00 C ATOM 1027 NH1 ARG A 70 4.242 -7.809 12.091 1.00 0.00 N ATOM 1028 NH2 ARG A 70 4.379 -10.099 12.163 1.00 0.00 N ATOM 0 H ARG A 70 1.354 -6.892 6.393 1.00 0.00 H new ATOM 0 HA ARG A 70 2.721 -9.312 5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.599 -8.229 8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.320 -9.822 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.470 -8.916 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.805 -7.320 7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.853 -7.230 9.374 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.126 -7.244 9.671 1.00 0.00 H new ATOM 0 HE ARG A 70 4.115 -9.944 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.137 -6.945 11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.345 -7.773 13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.380 -11.000 11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.482 -10.059 13.177 1.00 0.00 H new ATOM 1042 N GLU A 71 -0.366 -9.338 5.433 1.00 0.00 N ATOM 1043 CA GLU A 71 -1.578 -10.127 5.241 1.00 0.00 C ATOM 1044 C GLU A 71 -2.212 -9.828 3.885 1.00 0.00 C ATOM 1045 O GLU A 71 -2.782 -8.758 3.677 1.00 0.00 O ATOM 1046 CB GLU A 71 -2.581 -9.841 6.360 1.00 0.00 C ATOM 1047 CG GLU A 71 -4.030 -10.025 5.940 1.00 0.00 C ATOM 1048 CD GLU A 71 -4.922 -10.446 7.091 1.00 0.00 C ATOM 1049 OE1 GLU A 71 -4.692 -11.540 7.649 1.00 0.00 O ATOM 1050 OE2 GLU A 71 -5.850 -9.684 7.434 1.00 0.00 O ATOM 0 H GLU A 71 -0.414 -8.391 5.056 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.304 -11.182 5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.369 -10.499 7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.440 -8.819 6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.403 -9.092 5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.083 -10.775 5.151 1.00 0.00 H new ATOM 1057 N ALA A 72 -2.108 -10.783 2.967 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.672 -10.624 1.632 1.00 0.00 C ATOM 1059 C ALA A 72 -3.809 -11.613 1.395 1.00 0.00 C ATOM 1060 O ALA A 72 -3.640 -12.611 0.695 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.590 -10.799 0.577 1.00 0.00 C ATOM 0 H ALA A 72 -1.638 -11.675 3.123 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.080 -9.616 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.026 -10.678 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.812 -10.050 0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.156 -11.795 0.663 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.966 -11.328 1.984 1.00 0.00 N ATOM 1068 CA ALA A 73 -6.131 -12.192 1.835 1.00 0.00 C ATOM 1069 C ALA A 73 -6.873 -11.895 0.537 1.00 0.00 C ATOM 1070 O ALA A 73 -6.770 -10.807 -0.030 1.00 0.00 O ATOM 1071 CB ALA A 73 -7.063 -12.031 3.027 1.00 0.00 C ATOM 0 H ALA A 73 -5.121 -10.506 2.568 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.784 -13.225 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.929 -12.682 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.534 -12.301 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.395 -10.995 3.092 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.639 -12.883 0.052 1.00 0.00 N ATOM 1078 CA PRO A 74 -8.413 -12.751 -1.186 1.00 0.00 C ATOM 1079 C PRO A 74 -9.584 -11.785 -1.037 1.00 0.00 C ATOM 1080 O PRO A 74 -10.049 -11.202 -2.016 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.922 -14.172 -1.440 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.951 -14.810 -0.094 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.809 -14.207 0.675 1.00 0.00 C ATOM 0 HA PRO A 74 -7.812 -12.347 -2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.912 -14.162 -1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.264 -14.713 -2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.901 -14.622 0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.841 -15.892 -0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.039 -14.125 1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.905 -14.810 0.590 1.00 0.00 H new ATOM 1091 N SER A 75 -10.055 -11.619 0.195 1.00 0.00 N ATOM 1092 CA SER A 75 -11.174 -10.726 0.472 1.00 0.00 C ATOM 1093 C SER A 75 -10.696 -9.284 0.613 1.00 0.00 C ATOM 1094 O SER A 75 -11.492 -8.346 0.560 1.00 0.00 O ATOM 1095 CB SER A 75 -11.899 -11.162 1.746 1.00 0.00 C ATOM 1096 OG SER A 75 -12.783 -12.239 1.487 1.00 0.00 O ATOM 0 H SER A 75 -9.679 -12.091 1.017 1.00 0.00 H new ATOM 0 HA SER A 75 -11.867 -10.780 -0.368 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.170 -11.459 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.457 -10.320 2.157 1.00 0.00 H new ATOM 0 HG SER A 75 -13.233 -12.500 2.318 1.00 0.00 H new ATOM 1102 N ASP A 76 -9.391 -9.116 0.795 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.804 -7.789 0.943 1.00 0.00 C ATOM 1104 C ASP A 76 -8.525 -7.162 -0.419 1.00 0.00 C ATOM 1105 O ASP A 76 -8.512 -5.940 -0.561 1.00 0.00 O ATOM 1106 CB ASP A 76 -7.512 -7.867 1.757 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.770 -8.089 3.235 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -8.954 -8.146 3.628 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.789 -8.206 3.997 1.00 0.00 O ATOM 0 H ASP A 76 -8.719 -9.882 0.844 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.520 -7.160 1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.893 -8.678 1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.947 -6.945 1.625 1.00 0.00 H new ATOM 1114 N ALA A 77 -8.300 -8.009 -1.419 1.00 0.00 N ATOM 1115 CA ALA A 77 -8.022 -7.538 -2.770 1.00 0.00 C ATOM 1116 C ALA A 77 -9.242 -6.852 -3.375 1.00 0.00 C ATOM 1117 O ALA A 77 -10.287 -7.474 -3.561 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.574 -8.696 -3.650 1.00 0.00 C ATOM 0 H ALA A 77 -8.305 -9.024 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.217 -6.805 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.370 -8.330 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.669 -9.140 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.362 -9.448 -3.690 1.00 0.00 H new ATOM 1124 N GLY A 78 -9.101 -5.565 -3.680 1.00 0.00 N ATOM 1125 CA GLY A 78 -10.201 -4.816 -4.260 1.00 0.00 C ATOM 1126 C GLY A 78 -9.787 -3.425 -4.697 1.00 0.00 C ATOM 1127 O GLY A 78 -9.910 -3.075 -5.871 1.00 0.00 O ATOM 0 H GLY A 78 -8.246 -5.028 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.595 -5.361 -5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.009 -4.740 -3.532 1.00 0.00 H new ATOM 1131 N GLU A 79 -9.297 -2.630 -3.751 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.866 -1.268 -4.047 1.00 0.00 C ATOM 1133 C GLU A 79 -8.128 -0.661 -2.857 1.00 0.00 C ATOM 1134 O GLU A 79 -8.679 -0.547 -1.762 1.00 0.00 O ATOM 1135 CB GLU A 79 -10.070 -0.397 -4.412 1.00 0.00 C ATOM 1136 CG GLU A 79 -9.690 0.982 -4.925 1.00 0.00 C ATOM 1137 CD GLU A 79 -10.705 1.540 -5.904 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -11.186 0.772 -6.763 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -11.018 2.745 -5.810 1.00 0.00 O ATOM 0 H GLU A 79 -9.189 -2.905 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.183 -1.306 -4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.661 -0.908 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.707 -0.286 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.591 1.665 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.715 0.930 -5.409 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.876 -0.274 -3.081 1.00 0.00 N ATOM 1147 CA VAL A 80 -6.061 0.322 -2.029 1.00 0.00 C ATOM 1148 C VAL A 80 -6.119 1.844 -2.084 1.00 0.00 C ATOM 1149 O VAL A 80 -5.784 2.453 -3.101 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.592 -0.129 -2.134 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.795 0.360 -0.934 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.507 -1.643 -2.259 1.00 0.00 C ATOM 0 H VAL A 80 -6.404 -0.363 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.471 -0.020 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.159 0.312 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.760 0.031 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.828 1.449 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.225 -0.049 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.462 -1.944 -2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.958 -2.106 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.041 -1.965 -3.153 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.546 2.455 -0.984 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.646 3.908 -0.906 1.00 0.00 C ATOM 1164 C VAL A 81 -5.564 4.486 0.000 1.00 0.00 C ATOM 1165 O VAL A 81 -5.252 3.923 1.049 1.00 0.00 O ATOM 1166 CB VAL A 81 -8.027 4.348 -0.383 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -8.173 5.859 -0.467 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -9.136 3.652 -1.158 1.00 0.00 C ATOM 0 H VAL A 81 -6.828 1.967 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.510 4.289 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.110 4.057 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.154 6.151 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.399 6.333 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.070 6.177 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.105 3.974 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.059 3.910 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.040 2.573 -1.040 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.995 5.613 -0.414 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.947 6.268 0.360 1.00 0.00 C ATOM 1180 C PHE A 82 -4.123 7.784 0.341 1.00 0.00 C ATOM 1181 O PHE A 82 -3.861 8.438 -0.669 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.569 5.897 -0.192 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.464 6.786 0.305 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.136 7.950 -0.373 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.755 6.459 1.449 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.120 8.769 0.082 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.261 7.275 1.909 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.578 8.432 1.224 1.00 0.00 C ATOM 0 H PHE A 82 -5.242 6.092 -1.280 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.023 5.924 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.344 4.865 0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.599 5.942 -1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.680 8.220 -1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.999 5.556 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.128 9.672 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.806 7.009 2.802 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.371 9.072 1.582 1.00 0.00 H new ATOM 1198 N SER A 83 -4.569 8.336 1.465 1.00 0.00 N ATOM 1199 CA SER A 83 -4.785 9.774 1.577 1.00 0.00 C ATOM 1200 C SER A 83 -3.604 10.448 2.268 1.00 0.00 C ATOM 1201 O SER A 83 -2.943 9.851 3.117 1.00 0.00 O ATOM 1202 CB SER A 83 -6.074 10.058 2.351 1.00 0.00 C ATOM 1203 OG SER A 83 -6.459 11.416 2.218 1.00 0.00 O ATOM 0 H SER A 83 -4.788 7.809 2.311 1.00 0.00 H new ATOM 0 HA SER A 83 -4.876 10.183 0.571 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.872 9.413 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.930 9.819 3.405 1.00 0.00 H new ATOM 0 HG SER A 83 -6.035 11.800 1.422 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.345 11.698 1.897 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.245 12.456 2.481 1.00 0.00 C ATOM 1211 C VAL A 84 -2.363 13.940 2.150 1.00 0.00 C ATOM 1212 O VAL A 84 -2.524 14.317 0.989 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.881 11.939 1.985 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.639 12.366 0.546 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.236 12.431 2.892 1.00 0.00 C ATOM 0 H VAL A 84 -3.882 12.207 1.195 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.306 12.321 3.561 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.891 10.850 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.329 11.992 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.424 11.959 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.648 13.454 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.192 12.057 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.250 13.521 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.067 12.069 3.906 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.282 14.778 3.178 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.381 16.221 2.998 1.00 0.00 C ATOM 1227 C ARG A 85 -3.558 16.577 2.094 1.00 0.00 C ATOM 1228 O ARG A 85 -3.527 17.579 1.382 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.083 16.772 2.403 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.842 16.342 0.965 1.00 0.00 C ATOM 1231 CD ARG A 85 0.146 17.263 0.266 1.00 0.00 C ATOM 1232 NE ARG A 85 1.529 16.850 0.486 1.00 0.00 N ATOM 1233 CZ ARG A 85 2.574 17.650 0.298 1.00 0.00 C ATOM 1234 NH1 ARG A 85 2.392 18.898 -0.111 1.00 0.00 N ATOM 1235 NH2 ARG A 85 3.803 17.201 0.519 1.00 0.00 N ATOM 0 H ARG A 85 -2.148 14.482 4.145 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.546 16.673 3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.106 17.861 2.449 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.244 16.444 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.463 15.320 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.787 16.340 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.063 17.274 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.010 18.282 0.628 1.00 0.00 H new ATOM 0 HE ARG A 85 1.703 15.896 0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.449 19.246 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.195 19.510 -0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.947 16.241 0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.604 17.816 0.374 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.596 15.746 2.129 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.768 15.989 1.309 1.00 0.00 C ATOM 1251 C GLY A 86 -5.799 15.119 0.068 1.00 0.00 C ATOM 1252 O GLY A 86 -6.864 14.675 -0.362 1.00 0.00 O ATOM 0 H GLY A 86 -4.646 14.909 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.665 15.805 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.790 17.038 1.014 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.628 14.875 -0.510 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.524 14.053 -1.710 1.00 0.00 C ATOM 1258 C LEU A 87 -4.952 12.616 -1.426 1.00 0.00 C ATOM 1259 O LEU A 87 -5.060 12.206 -0.270 1.00 0.00 O ATOM 1260 CB LEU A 87 -3.090 14.073 -2.244 1.00 0.00 C ATOM 1261 CG LEU A 87 -2.536 15.446 -2.625 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -1.050 15.354 -2.938 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -3.298 16.019 -3.811 1.00 0.00 C ATOM 0 H LEU A 87 -3.737 15.235 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.192 14.470 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.436 13.636 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.041 13.427 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.667 16.117 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.673 16.341 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.515 14.988 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.895 14.667 -3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.890 16.996 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.199 15.349 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.351 16.123 -3.551 1.00 0.00 H new ATOM 1275 N THR A 88 -5.193 11.855 -2.488 1.00 0.00 N ATOM 1276 CA THR A 88 -5.608 10.464 -2.354 1.00 0.00 C ATOM 1277 C THR A 88 -5.209 9.650 -3.579 1.00 0.00 C ATOM 1278 O THR A 88 -5.511 10.026 -4.711 1.00 0.00 O ATOM 1279 CB THR A 88 -7.131 10.350 -2.149 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.573 11.331 -1.204 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.508 8.960 -1.658 1.00 0.00 C ATOM 0 H THR A 88 -5.108 12.178 -3.452 1.00 0.00 H new ATOM 0 HA THR A 88 -5.099 10.066 -1.476 1.00 0.00 H new ATOM 0 HB THR A 88 -7.619 10.524 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.542 11.253 -1.080 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.588 8.903 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.196 8.218 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.010 8.762 -0.709 1.00 0.00 H new ATOM 1289 N SER A 89 -4.529 8.532 -3.345 1.00 0.00 N ATOM 1290 CA SER A 89 -4.085 7.666 -4.430 1.00 0.00 C ATOM 1291 C SER A 89 -4.739 6.291 -4.330 1.00 0.00 C ATOM 1292 O SER A 89 -4.594 5.593 -3.325 1.00 0.00 O ATOM 1293 CB SER A 89 -2.562 7.522 -4.407 1.00 0.00 C ATOM 1294 OG SER A 89 -2.054 7.266 -5.705 1.00 0.00 O ATOM 0 H SER A 89 -4.274 8.205 -2.413 1.00 0.00 H new ATOM 0 HA SER A 89 -4.385 8.124 -5.373 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.113 8.433 -4.011 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.280 6.710 -3.736 1.00 0.00 H new ATOM 0 HG SER A 89 -2.797 7.076 -6.315 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.459 5.907 -5.378 1.00 0.00 N ATOM 1301 CA LYS A 90 -6.135 4.615 -5.411 1.00 0.00 C ATOM 1302 C LYS A 90 -5.388 3.632 -6.306 1.00 0.00 C ATOM 1303 O LYS A 90 -4.625 4.035 -7.185 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.573 4.781 -5.906 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.418 5.689 -5.029 1.00 0.00 C ATOM 1306 CD LYS A 90 -9.884 5.292 -5.065 1.00 0.00 C ATOM 1307 CE LYS A 90 -10.757 6.317 -4.356 1.00 0.00 C ATOM 1308 NZ LYS A 90 -10.606 6.244 -2.876 1.00 0.00 N ATOM 0 H LYS A 90 -5.590 6.472 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.150 4.216 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.555 5.182 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.045 3.800 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.054 5.647 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.311 6.721 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.209 5.190 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.010 4.317 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.494 7.318 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.801 6.152 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.664 7.201 -2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.365 5.655 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.684 5.825 -2.641 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.613 2.342 -6.079 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.963 1.303 -6.868 1.00 0.00 C ATOM 1324 C ALA A 91 -5.713 -0.020 -6.757 1.00 0.00 C ATOM 1325 O ALA A 91 -6.694 -0.129 -6.021 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.517 1.131 -6.426 1.00 0.00 C ATOM 0 H ALA A 91 -6.240 1.992 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.977 1.612 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.044 0.352 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.980 2.070 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.489 0.848 -5.374 1.00 0.00 H new ATOM 1332 N SER A 92 -5.247 -1.023 -7.494 1.00 0.00 N ATOM 1333 CA SER A 92 -5.877 -2.338 -7.481 1.00 0.00 C ATOM 1334 C SER A 92 -4.895 -3.406 -7.007 1.00 0.00 C ATOM 1335 O SER A 92 -3.740 -3.438 -7.433 1.00 0.00 O ATOM 1336 CB SER A 92 -6.397 -2.691 -8.876 1.00 0.00 C ATOM 1337 OG SER A 92 -7.600 -1.999 -9.161 1.00 0.00 O ATOM 0 H SER A 92 -4.435 -0.950 -8.108 1.00 0.00 H new ATOM 0 HA SER A 92 -6.716 -2.305 -6.785 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.644 -2.440 -9.623 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.567 -3.766 -8.943 1.00 0.00 H new ATOM 0 HG SER A 92 -7.911 -2.240 -10.058 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.364 -4.280 -6.123 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.529 -5.350 -5.589 1.00 0.00 C ATOM 1345 C LEU A 93 -5.106 -6.718 -5.942 1.00 0.00 C ATOM 1346 O LEU A 93 -6.281 -6.989 -5.694 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.400 -5.215 -4.071 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.983 -6.478 -3.317 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.601 -6.933 -3.762 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -4.008 -6.236 -1.815 1.00 0.00 C ATOM 0 H LEU A 93 -6.318 -4.269 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.540 -5.265 -6.040 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.673 -4.432 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.358 -4.879 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.696 -7.269 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.321 -7.833 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.615 -7.148 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.876 -6.145 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.708 -7.146 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.317 -5.431 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.016 -5.958 -1.508 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.271 -7.575 -6.519 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.697 -8.915 -6.903 1.00 0.00 C ATOM 1364 C ILE A 94 -4.217 -9.954 -5.895 1.00 0.00 C ATOM 1365 O ILE A 94 -3.161 -9.798 -5.281 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.174 -9.293 -8.301 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.651 -8.276 -9.340 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.632 -10.695 -8.676 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -3.706 -7.109 -9.520 1.00 0.00 C ATOM 0 H ILE A 94 -3.296 -7.365 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.787 -8.906 -6.922 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.084 -9.280 -8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.780 -8.780 -10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.630 -7.898 -9.044 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.255 -10.948 -9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.249 -11.410 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.721 -10.732 -8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.107 -6.428 -10.271 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.596 -6.580 -8.573 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.733 -7.476 -9.846 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.998 -11.017 -5.731 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.652 -12.084 -4.800 1.00 0.00 C ATOM 1383 C VAL A 95 -5.041 -13.448 -5.359 1.00 0.00 C ATOM 1384 O VAL A 95 -6.217 -13.720 -5.598 1.00 0.00 O ATOM 1385 CB VAL A 95 -5.341 -11.885 -3.436 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -5.144 -13.109 -2.555 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.813 -10.633 -2.751 1.00 0.00 C ATOM 0 H VAL A 95 -5.875 -11.162 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.571 -12.045 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.410 -11.756 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.637 -12.950 -1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.575 -13.983 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.079 -13.273 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.310 -10.507 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.739 -10.730 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.012 -9.764 -3.378 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.044 -14.303 -5.564 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.282 -15.640 -6.095 1.00 0.00 C ATOM 1399 C ARG A 96 -4.293 -16.676 -4.975 1.00 0.00 C ATOM 1400 O ARG A 96 -3.261 -16.956 -4.366 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.210 -15.999 -7.126 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.017 -14.940 -8.199 1.00 0.00 C ATOM 1403 CD ARG A 96 -4.173 -14.930 -9.186 1.00 0.00 C ATOM 1404 NE ARG A 96 -4.278 -16.189 -9.919 1.00 0.00 N ATOM 1405 CZ ARG A 96 -4.997 -16.337 -11.026 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -5.670 -15.310 -11.526 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -5.043 -17.515 -11.636 1.00 0.00 N ATOM 0 H ARG A 96 -3.065 -14.094 -5.371 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.259 -15.644 -6.579 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.263 -16.159 -6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.478 -16.942 -7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -2.928 -13.959 -7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.084 -15.126 -8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.104 -14.743 -8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.040 -14.110 -9.892 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.771 -16.999 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.637 -14.403 -11.060 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.221 -15.427 -12.376 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.526 -18.307 -11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.595 -17.628 -12.486 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.467 -17.241 -4.710 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.612 -18.245 -3.662 1.00 0.00 C ATOM 1423 C GLU A 97 -4.505 -19.291 -3.755 1.00 0.00 C ATOM 1424 O GLU A 97 -4.294 -19.895 -4.807 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.980 -18.923 -3.761 1.00 0.00 C ATOM 1426 CG GLU A 97 -8.147 -17.969 -3.569 1.00 0.00 C ATOM 1427 CD GLU A 97 -9.491 -18.665 -3.662 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -9.771 -19.530 -2.806 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -10.261 -18.347 -4.592 1.00 0.00 O ATOM 0 H GLU A 97 -6.331 -17.021 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.533 -17.742 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.069 -19.401 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.040 -19.713 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.059 -17.485 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -8.096 -17.183 -4.322 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.802 -19.500 -2.647 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.716 -20.472 -2.603 1.00 0.00 C ATOM 1438 C ARG A 98 -3.237 -21.882 -2.863 1.00 0.00 C ATOM 1439 O ARG A 98 -3.557 -22.618 -1.930 1.00 0.00 O ATOM 1440 CB ARG A 98 -2.011 -20.419 -1.246 1.00 0.00 C ATOM 1441 CG ARG A 98 -0.844 -21.386 -1.129 1.00 0.00 C ATOM 1442 CD ARG A 98 -0.467 -21.630 0.324 1.00 0.00 C ATOM 1443 NE ARG A 98 -1.468 -22.433 1.022 1.00 0.00 N ATOM 1444 CZ ARG A 98 -1.597 -23.746 0.865 1.00 0.00 C ATOM 1445 NH1 ARG A 98 -0.792 -24.400 0.039 1.00 0.00 N ATOM 1446 NH2 ARG A 98 -2.532 -24.407 1.535 1.00 0.00 N ATOM 0 H ARG A 98 -3.965 -19.009 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 98 -2.002 -20.217 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.651 -19.405 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.735 -20.639 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.105 -22.333 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.016 -20.987 -1.667 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.498 -22.135 0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.350 -20.674 0.834 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.103 -21.960 1.665 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.072 -23.895 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.893 -25.408 -0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.153 -23.907 2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.630 -25.415 1.414 1.00 0.00 H new ATOM 1460 N SER A 99 -3.321 -22.250 -4.138 1.00 0.00 N ATOM 1461 CA SER A 99 -3.808 -23.570 -4.521 1.00 0.00 C ATOM 1462 C SER A 99 -2.693 -24.398 -5.153 1.00 0.00 C ATOM 1463 O SER A 99 -1.987 -23.931 -6.045 1.00 0.00 O ATOM 1464 CB SER A 99 -4.979 -23.442 -5.497 1.00 0.00 C ATOM 1465 OG SER A 99 -5.659 -24.676 -5.643 1.00 0.00 O ATOM 0 H SER A 99 -3.058 -21.653 -4.922 1.00 0.00 H new ATOM 0 HA SER A 99 -4.150 -24.079 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.673 -22.681 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.612 -23.108 -6.468 1.00 0.00 H new ATOM 0 HG SER A 99 -6.404 -24.567 -6.270 1.00 0.00 H new ATOM 1471 N GLY A 100 -2.541 -25.632 -4.682 1.00 0.00 N ATOM 1472 CA GLY A 100 -1.511 -26.507 -5.211 1.00 0.00 C ATOM 1473 C GLY A 100 -0.399 -26.763 -4.213 1.00 0.00 C ATOM 1474 O GLY A 100 0.627 -26.083 -4.206 1.00 0.00 O ATOM 0 H GLY A 100 -3.113 -26.041 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.960 -27.457 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.090 -26.064 -6.113 1.00 0.00 H new ATOM 1478 N PRO A 101 -0.598 -27.765 -3.345 1.00 0.00 N ATOM 1479 CA PRO A 101 0.385 -28.132 -2.321 1.00 0.00 C ATOM 1480 C PRO A 101 1.635 -28.768 -2.919 1.00 0.00 C ATOM 1481 O PRO A 101 2.706 -28.744 -2.312 1.00 0.00 O ATOM 1482 CB PRO A 101 -0.368 -29.145 -1.453 1.00 0.00 C ATOM 1483 CG PRO A 101 -1.400 -29.724 -2.358 1.00 0.00 C ATOM 1484 CD PRO A 101 -1.797 -28.618 -3.296 1.00 0.00 C ATOM 0 HA PRO A 101 0.744 -27.262 -1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.302 -29.916 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.825 -28.664 -0.588 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.003 -30.577 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.259 -30.082 -1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.058 -29.002 -4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.665 -28.071 -2.928 1.00 0.00 H new ATOM 1492 N SER A 102 1.492 -29.336 -4.112 1.00 0.00 N ATOM 1493 CA SER A 102 2.610 -29.982 -4.790 1.00 0.00 C ATOM 1494 C SER A 102 3.088 -29.141 -5.970 1.00 0.00 C ATOM 1495 O SER A 102 2.313 -28.814 -6.868 1.00 0.00 O ATOM 1496 CB SER A 102 2.204 -31.375 -5.274 1.00 0.00 C ATOM 1497 OG SER A 102 1.682 -32.152 -4.210 1.00 0.00 O ATOM 0 H SER A 102 0.613 -29.362 -4.629 1.00 0.00 H new ATOM 0 HA SER A 102 3.429 -30.077 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.458 -31.286 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.068 -31.879 -5.707 1.00 0.00 H new ATOM 0 HG SER A 102 1.428 -33.037 -4.545 1.00 0.00 H new ATOM 1503 N SER A 103 4.371 -28.794 -5.959 1.00 0.00 N ATOM 1504 CA SER A 103 4.954 -27.988 -7.026 1.00 0.00 C ATOM 1505 C SER A 103 5.060 -28.791 -8.318 1.00 0.00 C ATOM 1506 O SER A 103 5.611 -29.891 -8.335 1.00 0.00 O ATOM 1507 CB SER A 103 6.336 -27.479 -6.612 1.00 0.00 C ATOM 1508 OG SER A 103 6.939 -26.736 -7.657 1.00 0.00 O ATOM 0 H SER A 103 5.027 -29.058 -5.224 1.00 0.00 H new ATOM 0 HA SER A 103 4.299 -27.135 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.246 -26.855 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.973 -28.322 -6.346 1.00 0.00 H new ATOM 0 HG SER A 103 7.820 -26.420 -7.367 1.00 0.00 H new ATOM 1514 N GLY A 104 4.528 -28.233 -9.401 1.00 0.00 N ATOM 1515 CA GLY A 104 4.573 -28.910 -10.683 1.00 0.00 C ATOM 1516 C GLY A 104 4.076 -30.340 -10.602 1.00 0.00 C ATOM 1517 O GLY A 104 3.078 -30.694 -11.229 1.00 0.00 O ATOM 0 H GLY A 104 4.066 -27.324 -9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.968 -28.359 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.597 -28.905 -11.057 1.00 0.00 H new TER 1521 GLY A 104