USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 100:sc= 0.0545 USER MOD Set 1.2: A 95 ASN :FLIP amide:sc= -0.0756 F(o=-0.84,f=-0.021) USER MOD Set 2.1: A 21 CYS SG : rot 136:sc= 1.51 USER MOD Set 2.2: A 24 CYS SG : rot 87:sc= 1.11 USER MOD Set 2.3: A 45 CYS SG : rot 131:sc= -0.477 USER MOD Set 2.4: A 51 HIS : no HE2:sc= 0.968 K(o=3.1,f=-3.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -20:sc= 0.0697 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0769) USER MOD Single : A 29 SER OG : rot -170:sc= -2.17! USER MOD Single : A 33 HIS : no HE2:sc= -1 K(o=-1,f=-5.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.997 K(o=-1,f=-4.1!) USER MOD Single : A 46 CYS SG : rot -170:sc= -5.69! USER MOD Single : A 49 SER OG : rot 48:sc= 0.828 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 55 THR OG1 : rot -15:sc= 0.0686 USER MOD Single : A 59 HIS : no HD1:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 61 THR OG1 : rot -77:sc= 1.14 USER MOD Single : A 79 TYR OH : rot -139:sc= 0.594 USER MOD Single : A 84 MET CE :methyl 160:sc= -0.159 (180deg=-0.677) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -138:sc= -0.397 (180deg=-1.63) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= 0.12 K(o=0.12,f=-4.3!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.745 0.366 -1.405 1.00 0.00 N ATOM 2 CA MET A 1 2.050 -0.252 -1.731 1.00 0.00 C ATOM 3 C MET A 1 1.855 -1.698 -2.173 1.00 0.00 C ATOM 4 O MET A 1 2.331 -2.104 -3.235 1.00 0.00 O ATOM 5 CB MET A 1 2.986 -0.191 -0.521 1.00 0.00 C ATOM 6 CG MET A 1 4.419 -0.589 -0.839 1.00 0.00 C ATOM 7 SD MET A 1 5.182 0.494 -2.063 1.00 0.00 S ATOM 8 CE MET A 1 6.821 -0.221 -2.173 1.00 0.00 C ATOM 0 H1 MET A 1 0.892 1.351 -1.105 1.00 0.00 H new ATOM 0 H2 MET A 1 0.133 0.348 -2.245 1.00 0.00 H new ATOM 0 H3 MET A 1 0.292 -0.166 -0.635 1.00 0.00 H new ATOM 0 HA MET A 1 2.503 0.306 -2.550 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.980 0.822 -0.118 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.600 -0.847 0.260 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.010 -0.570 0.077 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.435 -1.615 -1.207 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.416 0.341 -2.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.302 -0.181 -1.196 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.744 -1.259 -2.497 1.00 0.00 H new ATOM 20 N THR A 2 1.146 -2.467 -1.357 1.00 0.00 N ATOM 21 CA THR A 2 0.843 -3.858 -1.663 1.00 0.00 C ATOM 22 C THR A 2 -0.273 -4.350 -0.744 1.00 0.00 C ATOM 23 O THR A 2 -0.621 -3.674 0.228 1.00 0.00 O ATOM 24 CB THR A 2 2.094 -4.763 -1.513 1.00 0.00 C ATOM 25 OG1 THR A 2 1.790 -6.107 -1.908 1.00 0.00 O ATOM 26 CG2 THR A 2 2.610 -4.765 -0.081 1.00 0.00 C ATOM 0 H THR A 2 0.766 -2.145 -0.467 1.00 0.00 H new ATOM 0 HA THR A 2 0.519 -3.915 -2.702 1.00 0.00 H new ATOM 0 HB THR A 2 2.870 -4.357 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.589 -6.666 -1.810 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.487 -5.409 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.881 -3.750 0.209 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.832 -5.138 0.586 1.00 0.00 H new ATOM 34 N MET A 3 -0.835 -5.512 -1.052 1.00 0.00 N ATOM 35 CA MET A 3 -1.904 -6.082 -0.238 1.00 0.00 C ATOM 36 C MET A 3 -1.331 -6.685 1.042 1.00 0.00 C ATOM 37 O MET A 3 -2.057 -6.965 1.997 1.00 0.00 O ATOM 38 CB MET A 3 -2.674 -7.143 -1.026 1.00 0.00 C ATOM 39 CG MET A 3 -3.220 -6.638 -2.353 1.00 0.00 C ATOM 40 SD MET A 3 -4.260 -5.175 -2.174 1.00 0.00 S ATOM 41 CE MET A 3 -4.611 -4.804 -3.891 1.00 0.00 C ATOM 0 H MET A 3 -0.570 -6.078 -1.858 1.00 0.00 H new ATOM 0 HA MET A 3 -2.595 -5.283 0.030 1.00 0.00 H new ATOM 0 HB2 MET A 3 -2.018 -7.993 -1.212 1.00 0.00 H new ATOM 0 HB3 MET A 3 -3.501 -7.507 -0.417 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.388 -6.407 -3.018 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.797 -7.431 -2.828 1.00 0.00 H new ATOM 0 HE1 MET A 3 -5.247 -3.921 -3.950 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.677 -4.615 -4.421 1.00 0.00 H new ATOM 0 HE3 MET A 3 -5.123 -5.651 -4.349 1.00 0.00 H new ATOM 51 N GLY A 4 -0.019 -6.888 1.046 1.00 0.00 N ATOM 52 CA GLY A 4 0.662 -7.347 2.236 1.00 0.00 C ATOM 53 C GLY A 4 0.559 -8.843 2.434 1.00 0.00 C ATOM 54 O GLY A 4 1.119 -9.622 1.664 1.00 0.00 O ATOM 0 H GLY A 4 0.587 -6.741 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.713 -7.065 2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.243 -6.841 3.106 1.00 0.00 H new ATOM 58 N CYS A 5 -0.155 -9.247 3.474 1.00 0.00 N ATOM 59 CA CYS A 5 -0.300 -10.656 3.802 1.00 0.00 C ATOM 60 C CYS A 5 -1.445 -10.845 4.790 1.00 0.00 C ATOM 61 O CYS A 5 -1.905 -9.879 5.397 1.00 0.00 O ATOM 62 CB CYS A 5 1.008 -11.202 4.380 1.00 0.00 C ATOM 63 SG CYS A 5 1.576 -10.342 5.881 1.00 0.00 S ATOM 0 H CYS A 5 -0.645 -8.615 4.107 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.531 -11.211 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.878 -12.260 4.608 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.785 -11.133 3.619 1.00 0.00 H new ATOM 68 N ARG A 6 -1.888 -12.083 4.970 1.00 0.00 N ATOM 69 CA ARG A 6 -3.035 -12.372 5.831 1.00 0.00 C ATOM 70 C ARG A 6 -2.756 -12.005 7.290 1.00 0.00 C ATOM 71 O ARG A 6 -3.677 -11.895 8.095 1.00 0.00 O ATOM 72 CB ARG A 6 -3.428 -13.847 5.725 1.00 0.00 C ATOM 73 CG ARG A 6 -2.381 -14.813 6.258 1.00 0.00 C ATOM 74 CD ARG A 6 -2.813 -16.256 6.057 1.00 0.00 C ATOM 75 NE ARG A 6 -2.900 -16.608 4.639 1.00 0.00 N ATOM 76 CZ ARG A 6 -4.043 -16.846 3.992 1.00 0.00 C ATOM 77 NH1 ARG A 6 -5.208 -16.727 4.619 1.00 0.00 N ATOM 78 NH2 ARG A 6 -4.020 -17.194 2.712 1.00 0.00 N ATOM 0 H ARG A 6 -1.472 -12.905 4.532 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.865 -11.756 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.360 -14.003 6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.626 -14.084 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.432 -14.641 5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.215 -14.625 7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.104 -16.919 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.782 -16.414 6.530 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.030 -16.676 4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.233 -16.452 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.078 -16.910 4.118 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.129 -17.280 2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.893 -17.376 2.217 1.00 0.00 H new ATOM 92 N HIS A 7 -1.482 -11.807 7.621 1.00 0.00 N ATOM 93 CA HIS A 7 -1.093 -11.398 8.970 1.00 0.00 C ATOM 94 C HIS A 7 -1.691 -10.034 9.319 1.00 0.00 C ATOM 95 O HIS A 7 -1.926 -9.732 10.489 1.00 0.00 O ATOM 96 CB HIS A 7 0.434 -11.337 9.104 1.00 0.00 C ATOM 97 CG HIS A 7 1.115 -12.669 9.003 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.322 -12.814 8.358 1.00 0.00 N ATOM 99 CD2 HIS A 7 0.729 -13.871 9.493 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.636 -14.094 8.468 1.00 0.00 C ATOM 101 NE2 HIS A 7 1.703 -14.772 9.147 1.00 0.00 N ATOM 0 H HIS A 7 -0.701 -11.923 6.975 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.480 -12.144 9.664 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.829 -10.680 8.329 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.685 -10.885 10.064 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.173 -14.080 10.049 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.533 -14.537 8.061 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.714 -15.768 9.365 1.00 0.00 H new ATOM 109 N VAL A 8 -1.942 -9.220 8.293 1.00 0.00 N ATOM 110 CA VAL A 8 -2.494 -7.879 8.484 1.00 0.00 C ATOM 111 C VAL A 8 -3.915 -7.962 9.014 1.00 0.00 C ATOM 112 O VAL A 8 -4.375 -7.084 9.738 1.00 0.00 O ATOM 113 CB VAL A 8 -2.505 -7.067 7.171 1.00 0.00 C ATOM 114 CG1 VAL A 8 -2.874 -5.612 7.426 1.00 0.00 C ATOM 115 CG2 VAL A 8 -1.170 -7.171 6.473 1.00 0.00 C ATOM 0 H VAL A 8 -1.771 -9.467 7.318 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.851 -7.372 9.203 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.268 -7.491 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.873 -5.066 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.866 -5.561 7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.147 -5.166 8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.196 -6.593 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.388 -6.780 7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.961 -8.215 6.241 1.00 0.00 H new ATOM 125 N ALA A 9 -4.604 -9.033 8.660 1.00 0.00 N ATOM 126 CA ALA A 9 -5.999 -9.183 9.024 1.00 0.00 C ATOM 127 C ALA A 9 -6.170 -9.416 10.527 1.00 0.00 C ATOM 128 O ALA A 9 -7.288 -9.406 11.042 1.00 0.00 O ATOM 129 CB ALA A 9 -6.635 -10.316 8.235 1.00 0.00 C ATOM 0 H ALA A 9 -4.220 -9.809 8.122 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.506 -8.251 8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.682 -10.415 8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.568 -10.099 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.111 -11.247 8.449 1.00 0.00 H new ATOM 135 N GLY A 10 -5.059 -9.624 11.225 1.00 0.00 N ATOM 136 CA GLY A 10 -5.115 -9.877 12.650 1.00 0.00 C ATOM 137 C GLY A 10 -4.739 -8.662 13.477 1.00 0.00 C ATOM 138 O GLY A 10 -5.080 -8.577 14.661 1.00 0.00 O ATOM 0 H GLY A 10 -4.120 -9.622 10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.122 -10.196 12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.444 -10.700 12.895 1.00 0.00 H new ATOM 142 N ILE A 11 -4.054 -7.711 12.857 1.00 0.00 N ATOM 143 CA ILE A 11 -3.576 -6.537 13.574 1.00 0.00 C ATOM 144 C ILE A 11 -4.681 -5.498 13.712 1.00 0.00 C ATOM 145 O ILE A 11 -5.592 -5.429 12.889 1.00 0.00 O ATOM 146 CB ILE A 11 -2.349 -5.890 12.893 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.715 -5.358 11.504 1.00 0.00 C ATOM 148 CG2 ILE A 11 -1.211 -6.895 12.799 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.597 -4.598 10.819 1.00 0.00 C ATOM 0 H ILE A 11 -3.818 -7.729 11.865 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.271 -6.883 14.562 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.021 -5.047 13.501 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.011 -6.195 10.872 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.583 -4.704 11.594 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.352 -6.428 12.317 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.932 -7.223 13.800 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.533 -7.755 12.212 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.936 -4.255 9.842 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.315 -3.739 11.428 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.735 -5.253 10.695 1.00 0.00 H new ATOM 161 N ARG A 12 -4.597 -4.702 14.764 1.00 0.00 N ATOM 162 CA ARG A 12 -5.601 -3.686 15.041 1.00 0.00 C ATOM 163 C ARG A 12 -4.934 -2.364 15.384 1.00 0.00 C ATOM 164 O ARG A 12 -3.705 -2.279 15.425 1.00 0.00 O ATOM 165 CB ARG A 12 -6.529 -4.120 16.187 1.00 0.00 C ATOM 166 CG ARG A 12 -5.815 -4.524 17.472 1.00 0.00 C ATOM 167 CD ARG A 12 -5.262 -5.939 17.383 1.00 0.00 C ATOM 168 NE ARG A 12 -4.602 -6.363 18.613 1.00 0.00 N ATOM 169 CZ ARG A 12 -4.007 -7.544 18.762 1.00 0.00 C ATOM 170 NH1 ARG A 12 -3.990 -8.417 17.758 1.00 0.00 N ATOM 171 NH2 ARG A 12 -3.430 -7.850 19.917 1.00 0.00 N ATOM 0 H ARG A 12 -3.839 -4.740 15.445 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.205 -3.558 14.143 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.214 -3.302 16.411 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.136 -4.959 15.846 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.002 -3.827 17.672 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.507 -4.455 18.311 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.075 -6.629 17.155 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.554 -5.997 16.557 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.596 -5.718 19.403 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.434 -8.182 16.870 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.533 -9.321 17.876 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.444 -7.181 20.687 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.973 -8.754 20.035 1.00 0.00 H new ATOM 185 N THR A 13 -5.737 -1.336 15.612 1.00 0.00 N ATOM 186 CA THR A 13 -5.217 -0.047 16.033 1.00 0.00 C ATOM 187 C THR A 13 -4.973 -0.063 17.538 1.00 0.00 C ATOM 188 O THR A 13 -5.910 -0.087 18.338 1.00 0.00 O ATOM 189 CB THR A 13 -6.176 1.097 15.654 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.499 1.003 14.258 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.549 2.454 15.943 1.00 0.00 C ATOM 0 H THR A 13 -6.752 -1.371 15.512 1.00 0.00 H new ATOM 0 HA THR A 13 -4.275 0.131 15.515 1.00 0.00 H new ATOM 0 HB THR A 13 -7.081 1.004 16.254 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.110 1.729 14.014 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.247 3.244 15.666 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.319 2.529 17.006 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.632 2.562 15.364 1.00 0.00 H new ATOM 199 N VAL A 14 -3.707 -0.071 17.912 1.00 0.00 N ATOM 200 CA VAL A 14 -3.318 -0.285 19.295 1.00 0.00 C ATOM 201 C VAL A 14 -2.979 1.020 20.002 1.00 0.00 C ATOM 202 O VAL A 14 -2.984 2.093 19.396 1.00 0.00 O ATOM 203 CB VAL A 14 -2.107 -1.233 19.378 1.00 0.00 C ATOM 204 CG1 VAL A 14 -2.492 -2.632 18.921 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.956 -0.693 18.541 1.00 0.00 C ATOM 0 H VAL A 14 -2.925 0.069 17.273 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.175 -0.735 19.797 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.782 -1.291 20.417 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.624 -3.288 18.986 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.287 -3.017 19.559 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.841 -2.594 17.889 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.107 -1.373 18.609 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.271 -0.608 17.501 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.665 0.289 18.913 1.00 0.00 H new ATOM 215 N THR A 15 -2.692 0.913 21.289 1.00 0.00 N ATOM 216 CA THR A 15 -2.277 2.051 22.085 1.00 0.00 C ATOM 217 C THR A 15 -0.760 2.044 22.246 1.00 0.00 C ATOM 218 O THR A 15 -0.183 1.034 22.657 1.00 0.00 O ATOM 219 CB THR A 15 -2.930 2.012 23.479 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.340 1.786 23.351 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.689 3.311 24.234 1.00 0.00 C ATOM 0 H THR A 15 -2.741 0.036 21.808 1.00 0.00 H new ATOM 0 HA THR A 15 -2.593 2.959 21.571 1.00 0.00 H new ATOM 0 HB THR A 15 -2.477 1.196 24.042 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.749 1.761 24.241 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.161 3.255 25.215 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.617 3.468 24.356 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.116 4.142 23.673 1.00 0.00 H new ATOM 229 N PRO A 16 -0.093 3.152 21.897 1.00 0.00 N ATOM 230 CA PRO A 16 1.354 3.284 22.061 1.00 0.00 C ATOM 231 C PRO A 16 1.760 3.278 23.532 1.00 0.00 C ATOM 232 O PRO A 16 1.469 4.219 24.272 1.00 0.00 O ATOM 233 CB PRO A 16 1.681 4.640 21.422 1.00 0.00 C ATOM 234 CG PRO A 16 0.479 5.000 20.617 1.00 0.00 C ATOM 235 CD PRO A 16 -0.689 4.356 21.304 1.00 0.00 C ATOM 0 HA PRO A 16 1.891 2.453 21.603 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.884 5.394 22.183 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.569 4.574 20.794 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.353 6.082 20.566 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.575 4.642 19.592 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.123 5.008 22.062 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.486 4.109 20.602 1.00 0.00 H new ATOM 243 N SER A 17 2.427 2.210 23.947 1.00 0.00 N ATOM 244 CA SER A 17 2.852 2.053 25.333 1.00 0.00 C ATOM 245 C SER A 17 3.983 3.026 25.679 1.00 0.00 C ATOM 246 O SER A 17 4.270 3.272 26.851 1.00 0.00 O ATOM 247 CB SER A 17 3.303 0.607 25.568 1.00 0.00 C ATOM 248 OG SER A 17 3.590 0.360 26.936 1.00 0.00 O ATOM 0 H SER A 17 2.688 1.433 23.339 1.00 0.00 H new ATOM 0 HA SER A 17 2.008 2.281 25.984 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.523 -0.076 25.231 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.189 0.400 24.968 1.00 0.00 H new ATOM 0 HG SER A 17 3.759 1.210 27.393 1.00 0.00 H new ATOM 254 N ALA A 18 4.611 3.592 24.656 1.00 0.00 N ATOM 255 CA ALA A 18 5.740 4.487 24.855 1.00 0.00 C ATOM 256 C ALA A 18 5.675 5.653 23.881 1.00 0.00 C ATOM 257 O ALA A 18 4.949 5.598 22.885 1.00 0.00 O ATOM 258 CB ALA A 18 7.050 3.727 24.691 1.00 0.00 C ATOM 0 H ALA A 18 4.356 3.446 23.679 1.00 0.00 H new ATOM 0 HA ALA A 18 5.693 4.885 25.869 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.887 4.408 24.842 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.099 2.923 25.426 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.103 3.305 23.687 1.00 0.00 H new ATOM 264 N LEU A 19 6.405 6.716 24.189 1.00 0.00 N ATOM 265 CA LEU A 19 6.517 7.852 23.282 1.00 0.00 C ATOM 266 C LEU A 19 7.691 7.647 22.340 1.00 0.00 C ATOM 267 O LEU A 19 7.601 7.909 21.145 1.00 0.00 O ATOM 268 CB LEU A 19 6.694 9.169 24.052 1.00 0.00 C ATOM 269 CG LEU A 19 5.455 9.685 24.793 1.00 0.00 C ATOM 270 CD1 LEU A 19 4.221 9.570 23.916 1.00 0.00 C ATOM 271 CD2 LEU A 19 5.248 8.953 26.109 1.00 0.00 C ATOM 0 H LEU A 19 6.928 6.816 25.059 1.00 0.00 H new ATOM 0 HA LEU A 19 5.592 7.916 22.708 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.498 9.038 24.776 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.019 9.937 23.350 1.00 0.00 H new ATOM 0 HG LEU A 19 5.621 10.738 25.023 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.352 9.941 24.460 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.362 10.160 23.011 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.062 8.526 23.647 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.361 9.344 26.607 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.116 7.888 25.916 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.118 9.101 26.748 1.00 0.00 H new ATOM 283 N GLY A 20 8.792 7.177 22.894 1.00 0.00 N ATOM 284 CA GLY A 20 9.956 6.866 22.096 1.00 0.00 C ATOM 285 C GLY A 20 10.528 5.522 22.471 1.00 0.00 C ATOM 286 O GLY A 20 9.788 4.622 22.864 1.00 0.00 O ATOM 0 H GLY A 20 8.902 7.003 23.893 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.688 6.869 21.040 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.713 7.638 22.235 1.00 0.00 H new ATOM 290 N CYS A 21 11.836 5.377 22.358 1.00 0.00 N ATOM 291 CA CYS A 21 12.489 4.162 22.804 1.00 0.00 C ATOM 292 C CYS A 21 12.610 4.188 24.322 1.00 0.00 C ATOM 293 O CYS A 21 13.491 4.850 24.874 1.00 0.00 O ATOM 294 CB CYS A 21 13.865 4.011 22.155 1.00 0.00 C ATOM 295 SG CYS A 21 14.714 2.468 22.569 1.00 0.00 S ATOM 0 H CYS A 21 12.462 6.080 21.964 1.00 0.00 H new ATOM 0 HA CYS A 21 11.888 3.303 22.504 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.753 4.072 21.073 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.491 4.850 22.458 1.00 0.00 H new ATOM 0 HG CYS A 21 15.237 1.959 21.494 1.00 0.00 H new ATOM 301 N GLU A 22 11.701 3.483 24.983 1.00 0.00 N ATOM 302 CA GLU A 22 11.618 3.479 26.441 1.00 0.00 C ATOM 303 C GLU A 22 12.927 3.007 27.073 1.00 0.00 C ATOM 304 O GLU A 22 13.337 3.511 28.120 1.00 0.00 O ATOM 305 CB GLU A 22 10.445 2.600 26.906 1.00 0.00 C ATOM 306 CG GLU A 22 10.646 1.099 26.713 1.00 0.00 C ATOM 307 CD GLU A 22 10.908 0.710 25.272 1.00 0.00 C ATOM 308 OE1 GLU A 22 9.954 0.692 24.480 1.00 0.00 O ATOM 309 OE2 GLU A 22 12.074 0.436 24.921 1.00 0.00 O ATOM 0 H GLU A 22 11.001 2.898 24.526 1.00 0.00 H new ATOM 0 HA GLU A 22 11.442 4.503 26.771 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.262 2.794 27.963 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.548 2.903 26.367 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.483 0.769 27.329 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.761 0.572 27.069 1.00 0.00 H new ATOM 316 N GLU A 23 13.576 2.047 26.427 1.00 0.00 N ATOM 317 CA GLU A 23 14.851 1.529 26.890 1.00 0.00 C ATOM 318 C GLU A 23 15.912 2.624 26.862 1.00 0.00 C ATOM 319 O GLU A 23 16.696 2.767 27.794 1.00 0.00 O ATOM 320 CB GLU A 23 15.274 0.341 26.026 1.00 0.00 C ATOM 321 CG GLU A 23 16.569 -0.315 26.471 1.00 0.00 C ATOM 322 CD GLU A 23 16.830 -1.619 25.752 1.00 0.00 C ATOM 323 OE1 GLU A 23 17.325 -1.582 24.607 1.00 0.00 O ATOM 324 OE2 GLU A 23 16.539 -2.686 26.330 1.00 0.00 O ATOM 0 H GLU A 23 13.233 1.609 25.572 1.00 0.00 H new ATOM 0 HA GLU A 23 14.743 1.189 27.920 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.479 -0.404 26.036 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.384 0.676 24.994 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.399 0.368 26.292 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.531 -0.497 27.545 1.00 0.00 H new ATOM 331 N CYS A 24 15.919 3.416 25.804 1.00 0.00 N ATOM 332 CA CYS A 24 16.857 4.521 25.710 1.00 0.00 C ATOM 333 C CYS A 24 16.524 5.592 26.746 1.00 0.00 C ATOM 334 O CYS A 24 17.415 6.213 27.322 1.00 0.00 O ATOM 335 CB CYS A 24 16.849 5.127 24.304 1.00 0.00 C ATOM 336 SG CYS A 24 17.543 4.057 23.018 1.00 0.00 S ATOM 0 H CYS A 24 15.292 3.317 25.005 1.00 0.00 H new ATOM 0 HA CYS A 24 17.856 4.134 25.911 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.822 5.376 24.036 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.410 6.062 24.322 1.00 0.00 H new ATOM 0 HG CYS A 24 16.614 3.271 22.559 1.00 0.00 H new ATOM 342 N LEU A 25 15.236 5.776 27.005 1.00 0.00 N ATOM 343 CA LEU A 25 14.772 6.793 27.944 1.00 0.00 C ATOM 344 C LEU A 25 15.165 6.465 29.382 1.00 0.00 C ATOM 345 O LEU A 25 15.136 7.337 30.249 1.00 0.00 O ATOM 346 CB LEU A 25 13.252 6.946 27.843 1.00 0.00 C ATOM 347 CG LEU A 25 12.756 7.625 26.567 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.246 7.488 26.444 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.163 9.092 26.559 1.00 0.00 C ATOM 0 H LEU A 25 14.488 5.231 26.576 1.00 0.00 H new ATOM 0 HA LEU A 25 15.255 7.732 27.674 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.797 5.958 27.912 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.901 7.519 28.702 1.00 0.00 H new ATOM 0 HG LEU A 25 13.215 7.133 25.709 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.910 7.977 25.530 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.978 6.432 26.410 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.767 7.957 27.304 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.804 9.564 25.645 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.728 9.595 27.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.249 9.168 26.604 1.00 0.00 H new ATOM 361 N LYS A 26 15.547 5.219 29.637 1.00 0.00 N ATOM 362 CA LYS A 26 15.875 4.802 30.994 1.00 0.00 C ATOM 363 C LYS A 26 17.305 5.206 31.353 1.00 0.00 C ATOM 364 O LYS A 26 17.642 5.347 32.528 1.00 0.00 O ATOM 365 CB LYS A 26 15.685 3.287 31.153 1.00 0.00 C ATOM 366 CG LYS A 26 16.875 2.457 30.697 1.00 0.00 C ATOM 367 CD LYS A 26 16.493 1.004 30.481 1.00 0.00 C ATOM 368 CE LYS A 26 17.712 0.139 30.211 1.00 0.00 C ATOM 369 NZ LYS A 26 17.361 -1.302 30.140 1.00 0.00 N ATOM 0 H LYS A 26 15.636 4.488 28.931 1.00 0.00 H new ATOM 0 HA LYS A 26 15.196 5.307 31.681 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.483 3.066 32.201 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.805 2.981 30.587 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.274 2.870 29.771 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.669 2.518 31.442 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.969 0.630 31.361 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.801 0.930 29.642 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.176 0.447 29.274 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.450 0.295 30.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.178 -1.841 29.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.101 -1.643 31.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.557 -1.432 29.493 1.00 0.00 H new ATOM 383 N ILE A 27 18.140 5.413 30.337 1.00 0.00 N ATOM 384 CA ILE A 27 19.548 5.733 30.565 1.00 0.00 C ATOM 385 C ILE A 27 19.977 6.995 29.817 1.00 0.00 C ATOM 386 O ILE A 27 21.159 7.343 29.802 1.00 0.00 O ATOM 387 CB ILE A 27 20.470 4.558 30.160 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.150 4.083 28.738 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.349 3.415 31.158 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.936 2.861 28.309 1.00 0.00 C ATOM 0 H ILE A 27 17.869 5.366 29.355 1.00 0.00 H new ATOM 0 HA ILE A 27 19.650 5.913 31.635 1.00 0.00 H new ATOM 0 HB ILE A 27 21.502 4.910 30.172 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.085 3.860 28.671 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.351 4.896 28.040 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.005 2.598 30.857 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.638 3.765 32.149 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.318 3.062 31.184 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.655 2.586 27.293 1.00 0.00 H new ATOM 0 HD12 ILE A 27 22.002 3.084 28.343 1.00 0.00 H new ATOM 0 HD13 ILE A 27 20.717 2.033 28.983 1.00 0.00 H new ATOM 402 N GLY A 28 19.017 7.684 29.207 1.00 0.00 N ATOM 403 CA GLY A 28 19.325 8.912 28.492 1.00 0.00 C ATOM 404 C GLY A 28 20.056 8.651 27.190 1.00 0.00 C ATOM 405 O GLY A 28 21.053 9.305 26.880 1.00 0.00 O ATOM 0 H GLY A 28 18.033 7.415 29.194 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.401 9.451 28.285 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.935 9.556 29.126 1.00 0.00 H new ATOM 409 N SER A 29 19.561 7.686 26.434 1.00 0.00 N ATOM 410 CA SER A 29 20.163 7.313 25.166 1.00 0.00 C ATOM 411 C SER A 29 19.314 7.807 23.997 1.00 0.00 C ATOM 412 O SER A 29 18.100 7.987 24.131 1.00 0.00 O ATOM 413 CB SER A 29 20.318 5.795 25.104 1.00 0.00 C ATOM 414 OG SER A 29 21.110 5.328 26.176 1.00 0.00 O ATOM 0 H SER A 29 18.734 7.141 26.680 1.00 0.00 H new ATOM 0 HA SER A 29 21.145 7.780 25.090 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.336 5.323 25.139 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.776 5.510 24.157 1.00 0.00 H new ATOM 0 HG SER A 29 21.329 4.383 26.034 1.00 0.00 H new ATOM 420 N PRO A 30 19.944 8.047 22.840 1.00 0.00 N ATOM 421 CA PRO A 30 19.250 8.508 21.644 1.00 0.00 C ATOM 422 C PRO A 30 18.654 7.367 20.819 1.00 0.00 C ATOM 423 O PRO A 30 18.876 6.184 21.100 1.00 0.00 O ATOM 424 CB PRO A 30 20.364 9.202 20.865 1.00 0.00 C ATOM 425 CG PRO A 30 21.594 8.433 21.207 1.00 0.00 C ATOM 426 CD PRO A 30 21.398 7.917 22.612 1.00 0.00 C ATOM 0 HA PRO A 30 18.397 9.143 21.884 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.170 9.183 19.793 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.457 10.249 21.154 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.744 7.610 20.508 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.478 9.068 21.146 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.726 6.882 22.707 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.969 8.500 23.335 1.00 0.00 H new ATOM 434 N TRP A 31 17.880 7.743 19.813 1.00 0.00 N ATOM 435 CA TRP A 31 17.331 6.803 18.850 1.00 0.00 C ATOM 436 C TRP A 31 17.138 7.519 17.525 1.00 0.00 C ATOM 437 O TRP A 31 17.011 8.746 17.496 1.00 0.00 O ATOM 438 CB TRP A 31 16.000 6.205 19.336 1.00 0.00 C ATOM 439 CG TRP A 31 14.929 7.221 19.617 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.098 7.822 18.710 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.564 7.742 20.899 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.252 8.691 19.351 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.516 8.659 20.694 1.00 0.00 C ATOM 444 CE3 TRP A 31 15.024 7.525 22.199 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.923 9.357 21.741 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.433 8.217 23.238 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.392 9.124 23.004 1.00 0.00 C ATOM 0 H TRP A 31 17.614 8.713 19.641 1.00 0.00 H new ATOM 0 HA TRP A 31 18.029 5.975 18.730 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.633 5.507 18.584 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.184 5.629 20.243 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.107 7.639 17.646 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.541 9.267 18.900 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.827 6.829 22.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.121 10.058 21.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.780 8.056 24.248 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.951 9.650 23.838 1.00 0.00 H new ATOM 458 N VAL A 32 17.126 6.772 16.436 1.00 0.00 N ATOM 459 CA VAL A 32 16.968 7.374 15.125 1.00 0.00 C ATOM 460 C VAL A 32 15.518 7.281 14.671 1.00 0.00 C ATOM 461 O VAL A 32 14.877 8.298 14.407 1.00 0.00 O ATOM 462 CB VAL A 32 17.882 6.712 14.073 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.845 7.496 12.769 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.308 6.602 14.593 1.00 0.00 C ATOM 0 H VAL A 32 17.223 5.757 16.432 1.00 0.00 H new ATOM 0 HA VAL A 32 17.259 8.421 15.214 1.00 0.00 H new ATOM 0 HB VAL A 32 17.512 5.705 13.880 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.495 7.016 12.037 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.824 7.520 12.387 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.189 8.515 12.947 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.936 6.132 13.836 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.692 7.598 14.816 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.319 5.997 15.500 1.00 0.00 H new ATOM 474 N HIS A 33 15.000 6.061 14.601 1.00 0.00 N ATOM 475 CA HIS A 33 13.622 5.843 14.179 1.00 0.00 C ATOM 476 C HIS A 33 12.897 4.904 15.136 1.00 0.00 C ATOM 477 O HIS A 33 13.528 4.201 15.933 1.00 0.00 O ATOM 478 CB HIS A 33 13.567 5.288 12.753 1.00 0.00 C ATOM 479 CG HIS A 33 13.963 6.280 11.705 1.00 0.00 C ATOM 480 ND1 HIS A 33 13.209 7.390 11.395 1.00 0.00 N ATOM 481 CD2 HIS A 33 15.047 6.328 10.900 1.00 0.00 C ATOM 482 CE1 HIS A 33 13.812 8.077 10.445 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.931 7.454 10.126 1.00 0.00 N ATOM 0 H HIS A 33 15.512 5.209 14.830 1.00 0.00 H new ATOM 0 HA HIS A 33 13.117 6.809 14.195 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.223 4.420 12.685 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.555 4.940 12.547 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.322 7.641 11.832 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.855 5.612 10.871 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.451 8.994 10.003 1.00 0.00 H new ATOM 492 N LEU A 34 11.572 4.889 15.039 1.00 0.00 N ATOM 493 CA LEU A 34 10.727 4.136 15.958 1.00 0.00 C ATOM 494 C LEU A 34 9.669 3.339 15.203 1.00 0.00 C ATOM 495 O LEU A 34 8.954 3.880 14.356 1.00 0.00 O ATOM 496 CB LEU A 34 10.028 5.089 16.928 1.00 0.00 C ATOM 497 CG LEU A 34 10.953 5.957 17.779 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.146 6.970 18.574 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.781 5.094 18.714 1.00 0.00 C ATOM 0 H LEU A 34 11.054 5.398 14.322 1.00 0.00 H new ATOM 0 HA LEU A 34 11.367 3.445 16.508 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.369 5.743 16.356 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.395 4.502 17.594 1.00 0.00 H new ATOM 0 HG LEU A 34 11.629 6.494 17.114 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.820 7.581 19.175 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.590 7.610 17.889 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.449 6.447 19.229 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.434 5.729 19.313 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.119 4.532 19.372 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.386 4.401 18.129 1.00 0.00 H new ATOM 511 N ARG A 35 9.560 2.058 15.525 1.00 0.00 N ATOM 512 CA ARG A 35 8.549 1.198 14.926 1.00 0.00 C ATOM 513 C ARG A 35 7.732 0.511 16.017 1.00 0.00 C ATOM 514 O ARG A 35 8.284 -0.139 16.906 1.00 0.00 O ATOM 515 CB ARG A 35 9.198 0.162 14.001 1.00 0.00 C ATOM 516 CG ARG A 35 10.043 0.791 12.903 1.00 0.00 C ATOM 517 CD ARG A 35 10.609 -0.240 11.936 1.00 0.00 C ATOM 518 NE ARG A 35 11.313 -1.329 12.617 1.00 0.00 N ATOM 519 CZ ARG A 35 12.522 -1.773 12.269 1.00 0.00 C ATOM 520 NH1 ARG A 35 13.244 -1.125 11.364 1.00 0.00 N ATOM 521 NH2 ARG A 35 13.021 -2.862 12.841 1.00 0.00 N ATOM 0 H ARG A 35 10.163 1.589 16.201 1.00 0.00 H new ATOM 0 HA ARG A 35 7.880 1.813 14.325 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.822 -0.506 14.594 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.419 -0.450 13.547 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.437 1.509 12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.863 1.348 13.355 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.797 -0.655 11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.293 0.253 11.245 1.00 0.00 H new ATOM 0 HE ARG A 35 10.849 -1.776 13.408 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.876 -0.280 10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.167 -1.472 11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.480 -3.360 13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.945 -3.200 12.574 1.00 0.00 H new ATOM 535 N ILE A 36 6.421 0.668 15.947 1.00 0.00 N ATOM 536 CA ILE A 36 5.521 0.144 16.968 1.00 0.00 C ATOM 537 C ILE A 36 4.779 -1.088 16.453 1.00 0.00 C ATOM 538 O ILE A 36 4.407 -1.148 15.290 1.00 0.00 O ATOM 539 CB ILE A 36 4.499 1.224 17.407 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.540 0.674 18.469 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.724 1.751 16.203 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.509 1.677 18.942 1.00 0.00 C ATOM 0 H ILE A 36 5.950 1.159 15.187 1.00 0.00 H new ATOM 0 HA ILE A 36 6.124 -0.141 17.830 1.00 0.00 H new ATOM 0 HB ILE A 36 5.052 2.052 17.850 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.026 -0.197 18.064 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.120 0.332 19.326 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.012 2.508 16.532 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.418 2.192 15.488 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.187 0.930 15.728 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.868 1.214 19.692 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.013 2.539 19.378 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.902 2.001 18.097 1.00 0.00 H new ATOM 554 N CYS A 37 4.591 -2.084 17.309 1.00 0.00 N ATOM 555 CA CYS A 37 3.793 -3.251 16.935 1.00 0.00 C ATOM 556 C CYS A 37 2.343 -2.859 16.710 1.00 0.00 C ATOM 557 O CYS A 37 1.796 -2.049 17.454 1.00 0.00 O ATOM 558 CB CYS A 37 3.783 -4.311 18.029 1.00 0.00 C ATOM 559 SG CYS A 37 5.301 -5.272 18.259 1.00 0.00 S ATOM 0 H CYS A 37 4.973 -2.111 18.254 1.00 0.00 H new ATOM 0 HA CYS A 37 4.250 -3.647 16.028 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.547 -3.821 18.973 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.971 -5.007 17.819 1.00 0.00 H new ATOM 564 N ARG A 38 1.712 -3.470 15.723 1.00 0.00 N ATOM 565 CA ARG A 38 0.268 -3.356 15.565 1.00 0.00 C ATOM 566 C ARG A 38 -0.416 -4.440 16.395 1.00 0.00 C ATOM 567 O ARG A 38 -1.629 -4.633 16.328 1.00 0.00 O ATOM 568 CB ARG A 38 -0.126 -3.482 14.092 1.00 0.00 C ATOM 569 CG ARG A 38 0.351 -2.325 13.228 1.00 0.00 C ATOM 570 CD ARG A 38 -0.295 -1.012 13.643 1.00 0.00 C ATOM 571 NE ARG A 38 -1.757 -1.075 13.583 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.534 -0.059 13.210 1.00 0.00 C ATOM 573 NH1 ARG A 38 -2.002 1.094 12.840 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.852 -0.198 13.201 1.00 0.00 N ATOM 0 H ARG A 38 2.172 -4.049 15.020 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.054 -2.375 15.915 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.281 -4.412 13.695 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.211 -3.553 14.021 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.435 -2.237 13.303 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.119 -2.531 12.183 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.015 -0.760 14.657 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.060 -0.212 12.993 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.209 -1.952 13.843 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.989 1.211 12.839 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.605 1.866 12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.273 -1.084 13.480 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.445 0.581 12.915 1.00 0.00 H new ATOM 588 N THR A 39 0.398 -5.147 17.173 1.00 0.00 N ATOM 589 CA THR A 39 -0.073 -6.216 18.036 1.00 0.00 C ATOM 590 C THR A 39 -0.122 -5.766 19.500 1.00 0.00 C ATOM 591 O THR A 39 -1.193 -5.538 20.051 1.00 0.00 O ATOM 592 CB THR A 39 0.858 -7.437 17.933 1.00 0.00 C ATOM 593 OG1 THR A 39 1.478 -7.468 16.639 1.00 0.00 O ATOM 594 CG2 THR A 39 0.091 -8.727 18.175 1.00 0.00 C ATOM 0 H THR A 39 1.405 -4.991 17.220 1.00 0.00 H new ATOM 0 HA THR A 39 -1.078 -6.481 17.707 1.00 0.00 H new ATOM 0 HB THR A 39 1.627 -7.350 18.700 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.071 -8.246 16.579 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.771 -9.575 18.097 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.350 -8.707 19.172 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.699 -8.826 17.431 1.00 0.00 H new ATOM 602 N CYS A 40 1.054 -5.618 20.116 1.00 0.00 N ATOM 603 CA CYS A 40 1.132 -5.332 21.550 1.00 0.00 C ATOM 604 C CYS A 40 1.202 -3.829 21.829 1.00 0.00 C ATOM 605 O CYS A 40 1.199 -3.406 22.982 1.00 0.00 O ATOM 606 CB CYS A 40 2.339 -6.048 22.183 1.00 0.00 C ATOM 607 SG CYS A 40 3.959 -5.277 21.839 1.00 0.00 S ATOM 0 H CYS A 40 1.958 -5.691 19.649 1.00 0.00 H new ATOM 0 HA CYS A 40 0.217 -5.711 22.005 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.194 -6.088 23.263 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.360 -7.078 21.826 1.00 0.00 H new ATOM 612 N GLY A 41 1.269 -3.024 20.771 1.00 0.00 N ATOM 613 CA GLY A 41 1.288 -1.575 20.934 1.00 0.00 C ATOM 614 C GLY A 41 2.567 -1.041 21.563 1.00 0.00 C ATOM 615 O GLY A 41 2.615 0.105 22.011 1.00 0.00 O ATOM 0 H GLY A 41 1.311 -3.346 19.804 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.152 -1.108 19.959 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.440 -1.278 21.551 1.00 0.00 H new ATOM 619 N HIS A 42 3.609 -1.857 21.597 1.00 0.00 N ATOM 620 CA HIS A 42 4.878 -1.426 22.162 1.00 0.00 C ATOM 621 C HIS A 42 5.769 -0.858 21.065 1.00 0.00 C ATOM 622 O HIS A 42 5.848 -1.419 19.967 1.00 0.00 O ATOM 623 CB HIS A 42 5.576 -2.588 22.877 1.00 0.00 C ATOM 624 CG HIS A 42 6.698 -2.156 23.770 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.551 -1.972 25.122 1.00 0.00 N ATOM 626 CD2 HIS A 42 7.980 -1.842 23.489 1.00 0.00 C ATOM 627 CE1 HIS A 42 7.692 -1.557 25.632 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.581 -1.466 24.661 1.00 0.00 N ATOM 0 H HIS A 42 3.602 -2.814 21.243 1.00 0.00 H new ATOM 0 HA HIS A 42 4.686 -0.645 22.898 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.841 -3.133 23.469 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.963 -3.282 22.131 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.447 -1.880 22.516 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.871 -1.329 26.672 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.550 -1.167 24.765 1.00 0.00 H new ATOM 637 N VAL A 43 6.420 0.258 21.366 1.00 0.00 N ATOM 638 CA VAL A 43 7.276 0.943 20.406 1.00 0.00 C ATOM 639 C VAL A 43 8.725 0.489 20.565 1.00 0.00 C ATOM 640 O VAL A 43 9.200 0.304 21.682 1.00 0.00 O ATOM 641 CB VAL A 43 7.208 2.475 20.598 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.984 3.199 19.507 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.764 2.949 20.630 1.00 0.00 C ATOM 0 H VAL A 43 6.370 0.712 22.278 1.00 0.00 H new ATOM 0 HA VAL A 43 6.919 0.691 19.408 1.00 0.00 H new ATOM 0 HB VAL A 43 7.671 2.713 21.556 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.919 4.275 19.667 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.029 2.890 19.538 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.561 2.951 18.534 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.739 4.030 20.766 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.275 2.690 19.691 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.241 2.467 21.456 1.00 0.00 H new ATOM 653 N GLY A 44 9.415 0.291 19.453 1.00 0.00 N ATOM 654 CA GLY A 44 10.813 -0.079 19.508 1.00 0.00 C ATOM 655 C GLY A 44 11.651 0.730 18.543 1.00 0.00 C ATOM 656 O GLY A 44 11.198 1.042 17.442 1.00 0.00 O ATOM 0 H GLY A 44 9.031 0.380 18.512 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.187 0.065 20.522 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.917 -1.139 19.278 1.00 0.00 H new ATOM 660 N CYS A 45 12.868 1.078 18.947 1.00 0.00 N ATOM 661 CA CYS A 45 13.765 1.815 18.069 1.00 0.00 C ATOM 662 C CYS A 45 14.276 0.888 16.974 1.00 0.00 C ATOM 663 O CYS A 45 14.584 -0.281 17.234 1.00 0.00 O ATOM 664 CB CYS A 45 14.943 2.399 18.854 1.00 0.00 C ATOM 665 SG CYS A 45 16.139 1.163 19.415 1.00 0.00 S ATOM 0 H CYS A 45 13.252 0.864 19.867 1.00 0.00 H new ATOM 0 HA CYS A 45 13.214 2.642 17.622 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.457 3.129 18.229 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.558 2.937 19.721 1.00 0.00 H new ATOM 0 HG CYS A 45 17.340 1.548 19.100 1.00 0.00 H new ATOM 671 N CYS A 46 14.368 1.408 15.760 1.00 0.00 N ATOM 672 CA CYS A 46 14.714 0.600 14.599 1.00 0.00 C ATOM 673 C CYS A 46 16.107 -0.014 14.706 1.00 0.00 C ATOM 674 O CYS A 46 16.888 0.303 15.609 1.00 0.00 O ATOM 675 CB CYS A 46 14.622 1.444 13.332 1.00 0.00 C ATOM 676 SG CYS A 46 12.977 2.106 13.010 1.00 0.00 S ATOM 0 H CYS A 46 14.207 2.393 15.552 1.00 0.00 H new ATOM 0 HA CYS A 46 13.999 -0.221 14.556 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.327 2.272 13.407 1.00 0.00 H new ATOM 0 HB3 CYS A 46 14.932 0.838 12.481 1.00 0.00 H new ATOM 0 HG CYS A 46 12.944 2.627 11.819 1.00 0.00 H new ATOM 682 N ASP A 47 16.406 -0.892 13.760 1.00 0.00 N ATOM 683 CA ASP A 47 17.696 -1.564 13.688 1.00 0.00 C ATOM 684 C ASP A 47 18.765 -0.622 13.151 1.00 0.00 C ATOM 685 O ASP A 47 19.947 -0.963 13.097 1.00 0.00 O ATOM 686 CB ASP A 47 17.588 -2.810 12.805 1.00 0.00 C ATOM 687 CG ASP A 47 16.958 -2.515 11.457 1.00 0.00 C ATOM 688 OD1 ASP A 47 15.741 -2.220 11.416 1.00 0.00 O ATOM 689 OD2 ASP A 47 17.666 -2.578 10.433 1.00 0.00 O ATOM 0 H ASP A 47 15.759 -1.160 13.018 1.00 0.00 H new ATOM 0 HA ASP A 47 17.987 -1.868 14.694 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.582 -3.231 12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.997 -3.567 13.321 1.00 0.00 H new ATOM 694 N ASP A 48 18.341 0.570 12.762 1.00 0.00 N ATOM 695 CA ASP A 48 19.261 1.607 12.322 1.00 0.00 C ATOM 696 C ASP A 48 19.720 2.425 13.523 1.00 0.00 C ATOM 697 O ASP A 48 20.614 3.264 13.423 1.00 0.00 O ATOM 698 CB ASP A 48 18.583 2.516 11.294 1.00 0.00 C ATOM 699 CG ASP A 48 17.688 3.569 11.924 1.00 0.00 C ATOM 700 OD1 ASP A 48 16.994 3.264 12.919 1.00 0.00 O ATOM 701 OD2 ASP A 48 17.697 4.714 11.429 1.00 0.00 O ATOM 0 H ASP A 48 17.359 0.844 12.742 1.00 0.00 H new ATOM 0 HA ASP A 48 20.127 1.140 11.853 1.00 0.00 H new ATOM 0 HB2 ASP A 48 19.348 3.010 10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.990 1.905 10.613 1.00 0.00 H new ATOM 706 N SER A 49 19.080 2.173 14.655 1.00 0.00 N ATOM 707 CA SER A 49 19.400 2.853 15.893 1.00 0.00 C ATOM 708 C SER A 49 20.336 1.984 16.734 1.00 0.00 C ATOM 709 O SER A 49 20.347 0.762 16.582 1.00 0.00 O ATOM 710 CB SER A 49 18.109 3.163 16.650 1.00 0.00 C ATOM 711 OG SER A 49 17.213 3.911 15.841 1.00 0.00 O ATOM 0 H SER A 49 18.326 1.491 14.737 1.00 0.00 H new ATOM 0 HA SER A 49 19.910 3.792 15.679 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.634 2.233 16.962 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.340 3.722 17.557 1.00 0.00 H new ATOM 0 HG SER A 49 17.135 3.487 14.961 1.00 0.00 H new ATOM 717 N PRO A 50 21.123 2.601 17.635 1.00 0.00 N ATOM 718 CA PRO A 50 22.169 1.909 18.412 1.00 0.00 C ATOM 719 C PRO A 50 21.670 0.692 19.198 1.00 0.00 C ATOM 720 O PRO A 50 22.420 -0.257 19.415 1.00 0.00 O ATOM 721 CB PRO A 50 22.675 2.985 19.384 1.00 0.00 C ATOM 722 CG PRO A 50 21.658 4.075 19.342 1.00 0.00 C ATOM 723 CD PRO A 50 21.075 4.034 17.963 1.00 0.00 C ATOM 0 HA PRO A 50 22.929 1.504 17.744 1.00 0.00 H new ATOM 0 HB2 PRO A 50 22.779 2.584 20.392 1.00 0.00 H new ATOM 0 HB3 PRO A 50 23.656 3.353 19.085 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.887 3.921 20.097 1.00 0.00 H new ATOM 0 HG3 PRO A 50 22.114 5.044 19.545 1.00 0.00 H new ATOM 0 HD2 PRO A 50 20.056 4.420 17.942 1.00 0.00 H new ATOM 0 HD3 PRO A 50 21.656 4.630 17.260 1.00 0.00 H new ATOM 731 N HIS A 51 20.412 0.720 19.624 1.00 0.00 N ATOM 732 CA HIS A 51 19.871 -0.363 20.445 1.00 0.00 C ATOM 733 C HIS A 51 19.282 -1.491 19.598 1.00 0.00 C ATOM 734 O HIS A 51 19.352 -2.656 19.987 1.00 0.00 O ATOM 735 CB HIS A 51 18.811 0.164 21.420 1.00 0.00 C ATOM 736 CG HIS A 51 19.378 0.749 22.681 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.012 0.320 23.938 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.283 1.737 22.876 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.665 1.018 24.849 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.448 1.885 24.232 1.00 0.00 N ATOM 0 H HIS A 51 19.752 1.470 19.419 1.00 0.00 H new ATOM 0 HA HIS A 51 20.707 -0.772 21.012 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.214 0.924 20.916 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.136 -0.651 21.681 1.00 0.00 H new ATOM 0 HD1 HIS A 51 18.340 -0.422 24.135 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.784 2.305 22.106 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.574 0.900 25.919 1.00 0.00 H new ATOM 749 N LYS A 52 18.713 -1.144 18.439 1.00 0.00 N ATOM 750 CA LYS A 52 18.023 -2.120 17.581 1.00 0.00 C ATOM 751 C LYS A 52 16.967 -2.887 18.380 1.00 0.00 C ATOM 752 O LYS A 52 16.726 -4.069 18.146 1.00 0.00 O ATOM 753 CB LYS A 52 19.025 -3.105 16.961 1.00 0.00 C ATOM 754 CG LYS A 52 20.111 -2.434 16.135 1.00 0.00 C ATOM 755 CD LYS A 52 21.086 -3.443 15.547 1.00 0.00 C ATOM 756 CE LYS A 52 21.944 -4.097 16.619 1.00 0.00 C ATOM 757 NZ LYS A 52 22.933 -5.047 16.042 1.00 0.00 N ATOM 0 H LYS A 52 18.715 -0.193 18.071 1.00 0.00 H new ATOM 0 HA LYS A 52 17.530 -1.572 16.778 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.492 -3.684 17.758 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.484 -3.810 16.330 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.652 -1.862 15.329 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.655 -1.725 16.759 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.532 -4.211 15.008 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.729 -2.945 14.821 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.469 -3.326 17.183 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.302 -4.626 17.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.496 -5.469 16.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.432 -5.798 15.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.563 -4.538 15.389 1.00 0.00 H new ATOM 771 N HIS A 53 16.321 -2.190 19.305 1.00 0.00 N ATOM 772 CA HIS A 53 15.398 -2.821 20.239 1.00 0.00 C ATOM 773 C HIS A 53 14.166 -3.379 19.522 1.00 0.00 C ATOM 774 O HIS A 53 13.569 -4.347 19.982 1.00 0.00 O ATOM 775 CB HIS A 53 14.983 -1.815 21.319 1.00 0.00 C ATOM 776 CG HIS A 53 14.346 -2.440 22.523 1.00 0.00 C ATOM 777 ND1 HIS A 53 13.228 -1.922 23.139 1.00 0.00 N ATOM 778 CD2 HIS A 53 14.696 -3.533 23.242 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.917 -2.667 24.182 1.00 0.00 C ATOM 780 NE2 HIS A 53 13.792 -3.650 24.265 1.00 0.00 N ATOM 0 H HIS A 53 16.420 -1.182 19.429 1.00 0.00 H new ATOM 0 HA HIS A 53 15.910 -3.661 20.708 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.863 -1.255 21.636 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.287 -1.097 20.884 1.00 0.00 H new ATOM 0 HD2 HIS A 53 15.531 -4.189 23.046 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.088 -2.500 24.853 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.795 -4.381 24.977 1.00 0.00 H new ATOM 789 N ALA A 54 13.802 -2.780 18.389 1.00 0.00 N ATOM 790 CA ALA A 54 12.626 -3.213 17.635 1.00 0.00 C ATOM 791 C ALA A 54 12.795 -4.623 17.071 1.00 0.00 C ATOM 792 O ALA A 54 11.852 -5.415 17.076 1.00 0.00 O ATOM 793 CB ALA A 54 12.320 -2.238 16.508 1.00 0.00 C ATOM 0 H ALA A 54 14.303 -1.995 17.973 1.00 0.00 H new ATOM 0 HA ALA A 54 11.789 -3.230 18.333 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.442 -2.579 15.960 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.126 -1.250 16.925 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.172 -2.186 15.831 1.00 0.00 H new ATOM 799 N THR A 55 13.990 -4.934 16.585 1.00 0.00 N ATOM 800 CA THR A 55 14.249 -6.243 16.004 1.00 0.00 C ATOM 801 C THR A 55 14.385 -7.292 17.099 1.00 0.00 C ATOM 802 O THR A 55 13.814 -8.382 17.008 1.00 0.00 O ATOM 803 CB THR A 55 15.517 -6.233 15.127 1.00 0.00 C ATOM 804 OG1 THR A 55 16.613 -5.670 15.854 1.00 0.00 O ATOM 805 CG2 THR A 55 15.291 -5.434 13.856 1.00 0.00 C ATOM 0 H THR A 55 14.790 -4.301 16.582 1.00 0.00 H new ATOM 0 HA THR A 55 13.400 -6.494 15.368 1.00 0.00 H new ATOM 0 HB THR A 55 15.748 -7.263 14.856 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.274 -5.196 16.642 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.200 -5.442 13.255 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.475 -5.879 13.287 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.035 -4.406 14.113 1.00 0.00 H new ATOM 813 N ARG A 56 15.130 -6.941 18.142 1.00 0.00 N ATOM 814 CA ARG A 56 15.305 -7.810 19.300 1.00 0.00 C ATOM 815 C ARG A 56 13.951 -8.143 19.923 1.00 0.00 C ATOM 816 O ARG A 56 13.677 -9.296 20.263 1.00 0.00 O ATOM 817 CB ARG A 56 16.219 -7.133 20.326 1.00 0.00 C ATOM 818 CG ARG A 56 17.604 -6.820 19.781 1.00 0.00 C ATOM 819 CD ARG A 56 18.429 -5.985 20.750 1.00 0.00 C ATOM 820 NE ARG A 56 18.724 -6.694 21.994 1.00 0.00 N ATOM 821 CZ ARG A 56 19.947 -6.813 22.513 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.995 -6.287 21.889 1.00 0.00 N ATOM 823 NH2 ARG A 56 20.122 -7.456 23.660 1.00 0.00 N ATOM 0 H ARG A 56 15.626 -6.052 18.209 1.00 0.00 H new ATOM 0 HA ARG A 56 15.771 -8.741 18.978 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.752 -6.208 20.665 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.316 -7.779 21.198 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.128 -7.752 19.570 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.508 -6.287 18.835 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.364 -5.697 20.270 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.892 -5.065 20.979 1.00 0.00 H new ATOM 0 HE ARG A 56 17.947 -7.124 22.496 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.867 -5.789 21.008 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.928 -6.381 22.291 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.321 -7.860 24.146 1.00 0.00 H new ATOM 0 HH22 ARG A 56 21.057 -7.547 24.056 1.00 0.00 H new ATOM 837 N HIS A 57 13.098 -7.127 20.035 1.00 0.00 N ATOM 838 CA HIS A 57 11.747 -7.298 20.559 1.00 0.00 C ATOM 839 C HIS A 57 10.966 -8.321 19.735 1.00 0.00 C ATOM 840 O HIS A 57 10.275 -9.175 20.293 1.00 0.00 O ATOM 841 CB HIS A 57 11.012 -5.948 20.575 1.00 0.00 C ATOM 842 CG HIS A 57 9.567 -6.037 20.966 1.00 0.00 C ATOM 843 ND1 HIS A 57 9.095 -5.864 22.249 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.479 -6.290 20.201 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.763 -6.016 22.221 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.344 -6.277 20.997 1.00 0.00 N ATOM 0 H HIS A 57 13.323 -6.169 19.767 1.00 0.00 H new ATOM 0 HA HIS A 57 11.820 -7.673 21.580 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.523 -5.278 21.266 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.081 -5.498 19.585 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.659 -5.657 23.074 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.493 -6.473 19.137 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.119 -5.936 23.084 1.00 0.00 H new ATOM 854 N PHE A 58 11.074 -8.230 18.410 1.00 0.00 N ATOM 855 CA PHE A 58 10.383 -9.157 17.519 1.00 0.00 C ATOM 856 C PHE A 58 10.780 -10.598 17.809 1.00 0.00 C ATOM 857 O PHE A 58 9.923 -11.461 17.955 1.00 0.00 O ATOM 858 CB PHE A 58 10.671 -8.826 16.049 1.00 0.00 C ATOM 859 CG PHE A 58 10.367 -9.962 15.103 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.111 -10.543 15.062 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.349 -10.453 14.264 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.843 -11.591 14.204 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.088 -11.499 13.401 1.00 0.00 C ATOM 864 CZ PHE A 58 9.833 -12.070 13.372 1.00 0.00 C ATOM 0 H PHE A 58 11.633 -7.524 17.932 1.00 0.00 H new ATOM 0 HA PHE A 58 9.314 -9.046 17.701 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.082 -7.956 15.759 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.720 -8.550 15.946 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.331 -10.172 15.710 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.335 -10.012 14.283 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.859 -12.035 14.184 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.866 -11.869 12.750 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.626 -12.890 12.700 1.00 0.00 H new ATOM 874 N HIS A 59 12.076 -10.849 17.907 1.00 0.00 N ATOM 875 CA HIS A 59 12.572 -12.210 18.091 1.00 0.00 C ATOM 876 C HIS A 59 12.167 -12.768 19.454 1.00 0.00 C ATOM 877 O HIS A 59 12.038 -13.979 19.624 1.00 0.00 O ATOM 878 CB HIS A 59 14.095 -12.265 17.916 1.00 0.00 C ATOM 879 CG HIS A 59 14.555 -11.918 16.529 1.00 0.00 C ATOM 880 ND1 HIS A 59 14.341 -12.730 15.435 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.210 -10.829 16.058 1.00 0.00 C ATOM 882 CE1 HIS A 59 14.844 -12.158 14.357 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.375 -11.002 14.705 1.00 0.00 N ATOM 0 H HIS A 59 12.803 -10.135 17.863 1.00 0.00 H new ATOM 0 HA HIS A 59 12.115 -12.835 17.323 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.559 -11.579 18.625 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.445 -13.267 18.166 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.541 -9.981 16.639 1.00 0.00 H new ATOM 0 HE1 HIS A 59 14.824 -12.568 13.358 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.833 -10.345 14.074 1.00 0.00 H new ATOM 892 N ALA A 60 11.960 -11.881 20.418 1.00 0.00 N ATOM 893 CA ALA A 60 11.568 -12.289 21.762 1.00 0.00 C ATOM 894 C ALA A 60 10.058 -12.529 21.864 1.00 0.00 C ATOM 895 O ALA A 60 9.618 -13.594 22.295 1.00 0.00 O ATOM 896 CB ALA A 60 12.006 -11.242 22.777 1.00 0.00 C ATOM 0 H ALA A 60 12.057 -10.873 20.295 1.00 0.00 H new ATOM 0 HA ALA A 60 12.067 -13.233 21.981 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.708 -11.557 23.777 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.090 -11.130 22.740 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.534 -10.288 22.542 1.00 0.00 H new ATOM 902 N THR A 61 9.268 -11.541 21.456 1.00 0.00 N ATOM 903 CA THR A 61 7.816 -11.611 21.611 1.00 0.00 C ATOM 904 C THR A 61 7.151 -12.369 20.466 1.00 0.00 C ATOM 905 O THR A 61 6.114 -13.007 20.649 1.00 0.00 O ATOM 906 CB THR A 61 7.189 -10.205 21.709 1.00 0.00 C ATOM 907 OG1 THR A 61 7.633 -9.387 20.616 1.00 0.00 O ATOM 908 CG2 THR A 61 7.544 -9.534 23.028 1.00 0.00 C ATOM 0 H THR A 61 9.606 -10.684 21.017 1.00 0.00 H new ATOM 0 HA THR A 61 7.639 -12.153 22.540 1.00 0.00 H new ATOM 0 HB THR A 61 6.106 -10.318 21.661 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.546 -9.076 20.790 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.088 -8.545 23.067 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.172 -10.138 23.855 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.627 -9.437 23.107 1.00 0.00 H new ATOM 916 N GLY A 62 7.752 -12.306 19.288 1.00 0.00 N ATOM 917 CA GLY A 62 7.157 -12.923 18.122 1.00 0.00 C ATOM 918 C GLY A 62 6.107 -12.037 17.485 1.00 0.00 C ATOM 919 O GLY A 62 5.017 -12.495 17.149 1.00 0.00 O ATOM 0 H GLY A 62 8.642 -11.838 19.119 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.936 -13.145 17.392 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.706 -13.874 18.405 1.00 0.00 H new ATOM 923 N HIS A 63 6.430 -10.759 17.330 1.00 0.00 N ATOM 924 CA HIS A 63 5.508 -9.809 16.715 1.00 0.00 C ATOM 925 C HIS A 63 6.080 -9.303 15.401 1.00 0.00 C ATOM 926 O HIS A 63 6.864 -8.354 15.379 1.00 0.00 O ATOM 927 CB HIS A 63 5.219 -8.635 17.658 1.00 0.00 C ATOM 928 CG HIS A 63 4.510 -9.044 18.910 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.652 -8.348 20.091 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.676 -10.093 19.111 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.904 -8.998 20.972 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.296 -10.058 20.423 1.00 0.00 N ATOM 0 H HIS A 63 7.321 -10.356 17.620 1.00 0.00 H new ATOM 0 HA HIS A 63 4.567 -10.323 16.518 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.159 -8.150 17.922 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.616 -7.895 17.132 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.369 -10.820 18.373 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.798 -8.708 22.007 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.671 -10.712 20.893 1.00 0.00 H new ATOM 940 N PRO A 64 5.704 -9.950 14.287 1.00 0.00 N ATOM 941 CA PRO A 64 6.307 -9.690 12.981 1.00 0.00 C ATOM 942 C PRO A 64 5.805 -8.414 12.311 1.00 0.00 C ATOM 943 O PRO A 64 6.448 -7.906 11.397 1.00 0.00 O ATOM 944 CB PRO A 64 5.893 -10.911 12.163 1.00 0.00 C ATOM 945 CG PRO A 64 4.596 -11.342 12.755 1.00 0.00 C ATOM 946 CD PRO A 64 4.665 -10.998 14.219 1.00 0.00 C ATOM 0 HA PRO A 64 7.383 -9.540 13.067 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.783 -10.662 11.108 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.640 -11.702 12.227 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.761 -10.832 12.275 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.440 -12.412 12.614 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.706 -10.635 14.590 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.932 -11.866 14.822 1.00 0.00 H new ATOM 954 N ILE A 65 4.661 -7.901 12.742 1.00 0.00 N ATOM 955 CA ILE A 65 4.103 -6.714 12.111 1.00 0.00 C ATOM 956 C ILE A 65 4.284 -5.477 12.973 1.00 0.00 C ATOM 957 O ILE A 65 3.866 -5.426 14.136 1.00 0.00 O ATOM 958 CB ILE A 65 2.616 -6.880 11.738 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.474 -7.955 10.661 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.036 -5.555 11.253 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.059 -8.133 10.161 1.00 0.00 C ATOM 0 H ILE A 65 4.110 -8.280 13.512 1.00 0.00 H new ATOM 0 HA ILE A 65 4.665 -6.582 11.187 1.00 0.00 H new ATOM 0 HB ILE A 65 2.059 -7.189 12.623 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.118 -7.700 9.819 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.831 -8.905 11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.986 -5.691 10.994 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.122 -4.809 12.043 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.586 -5.217 10.374 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.038 -8.912 9.399 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.413 -8.419 10.991 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.704 -7.196 9.732 1.00 0.00 H new ATOM 973 N ILE A 66 4.914 -4.485 12.374 1.00 0.00 N ATOM 974 CA ILE A 66 5.186 -3.220 13.020 1.00 0.00 C ATOM 975 C ILE A 66 4.764 -2.075 12.113 1.00 0.00 C ATOM 976 O ILE A 66 4.601 -2.261 10.910 1.00 0.00 O ATOM 977 CB ILE A 66 6.683 -3.083 13.344 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.508 -3.403 12.094 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.064 -3.996 14.504 1.00 0.00 C ATOM 980 CD1 ILE A 66 8.999 -3.337 12.308 1.00 0.00 C ATOM 0 H ILE A 66 5.254 -4.538 11.414 1.00 0.00 H new ATOM 0 HA ILE A 66 4.619 -3.184 13.950 1.00 0.00 H new ATOM 0 HB ILE A 66 6.894 -2.058 13.648 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.246 -4.401 11.744 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.234 -2.706 11.302 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.127 -3.886 14.720 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.485 -3.724 15.386 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.853 -5.031 14.236 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.511 -3.576 11.376 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.277 -2.332 12.627 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.288 -4.055 13.076 1.00 0.00 H new ATOM 992 N GLU A 67 4.587 -0.906 12.691 1.00 0.00 N ATOM 993 CA GLU A 67 4.190 0.272 11.947 1.00 0.00 C ATOM 994 C GLU A 67 5.144 1.420 12.245 1.00 0.00 C ATOM 995 O GLU A 67 5.721 1.488 13.336 1.00 0.00 O ATOM 996 CB GLU A 67 2.752 0.650 12.314 1.00 0.00 C ATOM 997 CG GLU A 67 2.255 1.929 11.663 1.00 0.00 C ATOM 998 CD GLU A 67 0.788 2.173 11.926 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.381 2.186 13.107 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.027 2.324 10.957 1.00 0.00 O ATOM 0 H GLU A 67 4.714 -0.745 13.690 1.00 0.00 H new ATOM 0 HA GLU A 67 4.233 0.060 10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.090 -0.169 12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.682 0.756 13.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.834 2.773 12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.425 1.877 10.588 1.00 0.00 H new ATOM 1007 N GLY A 68 5.334 2.296 11.268 1.00 0.00 N ATOM 1008 CA GLY A 68 6.183 3.452 11.460 1.00 0.00 C ATOM 1009 C GLY A 68 5.595 4.425 12.462 1.00 0.00 C ATOM 1010 O GLY A 68 4.636 5.132 12.159 1.00 0.00 O ATOM 0 H GLY A 68 4.912 2.225 10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.166 3.128 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.329 3.958 10.506 1.00 0.00 H new ATOM 1014 N TYR A 69 6.176 4.460 13.654 1.00 0.00 N ATOM 1015 CA TYR A 69 5.671 5.302 14.727 1.00 0.00 C ATOM 1016 C TYR A 69 6.253 6.708 14.626 1.00 0.00 C ATOM 1017 O TYR A 69 5.545 7.703 14.816 1.00 0.00 O ATOM 1018 CB TYR A 69 6.013 4.682 16.085 1.00 0.00 C ATOM 1019 CG TYR A 69 5.404 5.410 17.264 1.00 0.00 C ATOM 1020 CD1 TYR A 69 4.083 5.190 17.633 1.00 0.00 C ATOM 1021 CD2 TYR A 69 6.149 6.315 18.007 1.00 0.00 C ATOM 1022 CE1 TYR A 69 3.523 5.853 18.709 1.00 0.00 C ATOM 1023 CE2 TYR A 69 5.596 6.980 19.084 1.00 0.00 C ATOM 1024 CZ TYR A 69 4.284 6.747 19.430 1.00 0.00 C ATOM 1025 OH TYR A 69 3.732 7.408 20.507 1.00 0.00 O ATOM 0 H TYR A 69 7.000 3.912 13.901 1.00 0.00 H new ATOM 0 HA TYR A 69 4.587 5.372 14.633 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.674 3.646 16.096 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.097 4.664 16.202 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.484 4.490 17.070 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.178 6.502 17.739 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.494 5.671 18.983 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.190 7.680 19.652 1.00 0.00 H new ATOM 0 HH TYR A 69 4.011 6.970 21.338 1.00 0.00 H new ATOM 1035 N ASP A 70 7.543 6.790 14.325 1.00 0.00 N ATOM 1036 CA ASP A 70 8.208 8.082 14.200 1.00 0.00 C ATOM 1037 C ASP A 70 7.933 8.742 12.829 1.00 0.00 C ATOM 1038 O ASP A 70 7.770 9.962 12.774 1.00 0.00 O ATOM 1039 CB ASP A 70 9.723 7.964 14.482 1.00 0.00 C ATOM 1040 CG ASP A 70 10.548 7.573 13.272 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.706 6.364 13.030 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.051 8.472 12.566 1.00 0.00 O ATOM 0 H ASP A 70 8.147 5.984 14.164 1.00 0.00 H new ATOM 0 HA ASP A 70 7.783 8.739 14.959 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.086 8.918 14.863 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.879 7.226 15.269 1.00 0.00 H new ATOM 1047 N PRO A 71 7.861 7.984 11.698 1.00 0.00 N ATOM 1048 CA PRO A 71 7.526 8.555 10.400 1.00 0.00 C ATOM 1049 C PRO A 71 6.017 8.548 10.148 1.00 0.00 C ATOM 1050 O PRO A 71 5.398 7.485 10.076 1.00 0.00 O ATOM 1051 CB PRO A 71 8.241 7.631 9.400 1.00 0.00 C ATOM 1052 CG PRO A 71 8.723 6.448 10.186 1.00 0.00 C ATOM 1053 CD PRO A 71 8.112 6.547 11.557 1.00 0.00 C ATOM 0 HA PRO A 71 7.831 9.598 10.321 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.563 7.319 8.606 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.075 8.146 8.923 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.429 5.518 9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.811 6.445 10.249 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.193 5.967 11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.787 6.177 12.328 1.00 0.00 H new ATOM 1061 N PRO A 72 5.407 9.735 9.996 1.00 0.00 N ATOM 1062 CA PRO A 72 3.954 9.881 9.815 1.00 0.00 C ATOM 1063 C PRO A 72 3.464 9.450 8.427 1.00 0.00 C ATOM 1064 O PRO A 72 2.443 9.935 7.945 1.00 0.00 O ATOM 1065 CB PRO A 72 3.711 11.387 10.013 1.00 0.00 C ATOM 1066 CG PRO A 72 5.002 11.947 10.515 1.00 0.00 C ATOM 1067 CD PRO A 72 6.077 11.038 10.003 1.00 0.00 C ATOM 0 HA PRO A 72 3.410 9.243 10.511 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.417 11.862 9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.905 11.562 10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.150 12.966 10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.012 11.987 11.604 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.414 11.327 9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.954 11.041 10.650 1.00 0.00 H new ATOM 1075 N GLU A 73 4.177 8.521 7.804 1.00 0.00 N ATOM 1076 CA GLU A 73 3.806 8.021 6.485 1.00 0.00 C ATOM 1077 C GLU A 73 2.689 6.989 6.596 1.00 0.00 C ATOM 1078 O GLU A 73 1.887 6.825 5.676 1.00 0.00 O ATOM 1079 CB GLU A 73 5.019 7.398 5.796 1.00 0.00 C ATOM 1080 CG GLU A 73 6.117 8.391 5.469 1.00 0.00 C ATOM 1081 CD GLU A 73 5.673 9.449 4.484 1.00 0.00 C ATOM 1082 OE1 GLU A 73 5.772 9.210 3.263 1.00 0.00 O ATOM 1083 OE2 GLU A 73 5.230 10.529 4.924 1.00 0.00 O ATOM 0 H GLU A 73 5.019 8.096 8.192 1.00 0.00 H new ATOM 0 HA GLU A 73 3.448 8.861 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.428 6.617 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.693 6.915 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.451 8.873 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.974 7.857 5.060 1.00 0.00 H new ATOM 1090 N GLY A 74 2.649 6.296 7.729 1.00 0.00 N ATOM 1091 CA GLY A 74 1.631 5.288 7.947 1.00 0.00 C ATOM 1092 C GLY A 74 1.863 4.042 7.115 1.00 0.00 C ATOM 1093 O GLY A 74 1.129 3.776 6.161 1.00 0.00 O ATOM 0 H GLY A 74 3.305 6.416 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.611 5.018 9.003 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.653 5.705 7.706 1.00 0.00 H new ATOM 1097 N TRP A 75 2.885 3.279 7.470 1.00 0.00 N ATOM 1098 CA TRP A 75 3.199 2.047 6.762 1.00 0.00 C ATOM 1099 C TRP A 75 3.430 0.910 7.744 1.00 0.00 C ATOM 1100 O TRP A 75 3.843 1.135 8.884 1.00 0.00 O ATOM 1101 CB TRP A 75 4.427 2.226 5.856 1.00 0.00 C ATOM 1102 CG TRP A 75 5.632 2.786 6.555 1.00 0.00 C ATOM 1103 CD1 TRP A 75 6.001 4.096 6.604 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.628 2.061 7.292 1.00 0.00 C ATOM 1105 NE1 TRP A 75 7.158 4.237 7.330 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.564 3.002 7.762 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.819 0.711 7.603 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.670 2.637 8.524 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 7.918 0.350 8.359 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.831 1.309 8.812 1.00 0.00 C ATOM 0 H TRP A 75 3.512 3.491 8.246 1.00 0.00 H new ATOM 0 HA TRP A 75 2.345 1.797 6.132 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.688 1.261 5.423 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.162 2.885 5.029 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.461 4.907 6.139 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.637 5.118 7.517 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.120 -0.036 7.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.376 3.375 8.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.075 -0.690 8.604 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.680 0.995 9.401 1.00 0.00 H new ATOM 1121 N GLY A 76 3.161 -0.302 7.291 1.00 0.00 N ATOM 1122 CA GLY A 76 3.352 -1.469 8.115 1.00 0.00 C ATOM 1123 C GLY A 76 4.374 -2.414 7.528 1.00 0.00 C ATOM 1124 O GLY A 76 4.378 -2.674 6.322 1.00 0.00 O ATOM 0 H GLY A 76 2.809 -0.498 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.672 -1.162 9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.402 -1.990 8.232 1.00 0.00 H new ATOM 1128 N TRP A 77 5.239 -2.926 8.383 1.00 0.00 N ATOM 1129 CA TRP A 77 6.293 -3.831 7.971 1.00 0.00 C ATOM 1130 C TRP A 77 6.083 -5.191 8.619 1.00 0.00 C ATOM 1131 O TRP A 77 5.770 -5.279 9.805 1.00 0.00 O ATOM 1132 CB TRP A 77 7.659 -3.253 8.365 1.00 0.00 C ATOM 1133 CG TRP A 77 8.828 -4.117 7.988 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.550 -4.930 8.816 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.415 -4.243 6.689 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.549 -5.554 8.109 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.487 -5.148 6.802 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.137 -3.679 5.442 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.280 -5.500 5.713 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 9.926 -4.028 4.363 1.00 0.00 C ATOM 1141 CH2 TRP A 77 10.985 -4.932 4.504 1.00 0.00 C ATOM 0 H TRP A 77 5.230 -2.726 9.383 1.00 0.00 H new ATOM 0 HA TRP A 77 6.265 -3.951 6.888 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.777 -2.277 7.894 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.675 -3.091 9.443 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.363 -5.062 9.871 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.226 -6.212 8.494 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.320 -2.983 5.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.099 -6.196 5.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 9.722 -3.596 3.394 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.582 -5.186 3.640 1.00 0.00 H new ATOM 1152 N CYS A 78 6.232 -6.247 7.839 1.00 0.00 N ATOM 1153 CA CYS A 78 6.097 -7.593 8.366 1.00 0.00 C ATOM 1154 C CYS A 78 7.431 -8.315 8.248 1.00 0.00 C ATOM 1155 O CYS A 78 7.814 -8.720 7.157 1.00 0.00 O ATOM 1156 CB CYS A 78 5.006 -8.357 7.610 1.00 0.00 C ATOM 1157 SG CYS A 78 4.389 -9.848 8.463 1.00 0.00 S ATOM 0 H CYS A 78 6.446 -6.199 6.843 1.00 0.00 H new ATOM 0 HA CYS A 78 5.808 -7.541 9.416 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.167 -7.684 7.431 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.395 -8.648 6.634 1.00 0.00 H new ATOM 1162 N TYR A 79 8.126 -8.457 9.377 1.00 0.00 N ATOM 1163 CA TYR A 79 9.480 -9.028 9.419 1.00 0.00 C ATOM 1164 C TYR A 79 9.609 -10.308 8.589 1.00 0.00 C ATOM 1165 O TYR A 79 10.489 -10.419 7.739 1.00 0.00 O ATOM 1166 CB TYR A 79 9.886 -9.338 10.864 1.00 0.00 C ATOM 1167 CG TYR A 79 10.267 -8.133 11.703 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.498 -7.512 11.539 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.413 -7.640 12.685 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.870 -6.436 12.325 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.775 -6.561 13.470 1.00 0.00 C ATOM 1172 CZ TYR A 79 11.005 -5.963 13.288 1.00 0.00 C ATOM 1173 OH TYR A 79 11.374 -4.895 14.082 1.00 0.00 O ATOM 0 H TYR A 79 7.769 -8.180 10.291 1.00 0.00 H new ATOM 0 HA TYR A 79 10.142 -8.276 8.989 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.060 -9.854 11.353 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.729 -10.029 10.847 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.178 -7.876 10.783 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.452 -8.108 12.836 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.834 -5.969 12.185 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.097 -6.187 14.223 1.00 0.00 H new ATOM 0 HH TYR A 79 11.082 -5.056 15.004 1.00 0.00 H new ATOM 1183 N VAL A 80 8.721 -11.262 8.840 1.00 0.00 N ATOM 1184 CA VAL A 80 8.800 -12.581 8.212 1.00 0.00 C ATOM 1185 C VAL A 80 8.467 -12.545 6.718 1.00 0.00 C ATOM 1186 O VAL A 80 8.822 -13.459 5.975 1.00 0.00 O ATOM 1187 CB VAL A 80 7.879 -13.594 8.926 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.361 -13.833 10.347 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.436 -13.113 8.928 1.00 0.00 C ATOM 0 H VAL A 80 7.933 -11.149 9.477 1.00 0.00 H new ATOM 0 HA VAL A 80 9.837 -12.902 8.312 1.00 0.00 H new ATOM 0 HB VAL A 80 7.919 -14.536 8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.703 -14.549 10.839 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.376 -14.229 10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.350 -12.893 10.898 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.809 -13.845 9.437 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.372 -12.157 9.447 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.091 -12.992 7.901 1.00 0.00 H new ATOM 1199 N ASP A 81 7.776 -11.502 6.282 1.00 0.00 N ATOM 1200 CA ASP A 81 7.394 -11.376 4.876 1.00 0.00 C ATOM 1201 C ASP A 81 8.368 -10.473 4.136 1.00 0.00 C ATOM 1202 O ASP A 81 8.651 -10.683 2.956 1.00 0.00 O ATOM 1203 CB ASP A 81 5.981 -10.797 4.736 1.00 0.00 C ATOM 1204 CG ASP A 81 4.894 -11.731 5.222 1.00 0.00 C ATOM 1205 OD1 ASP A 81 4.886 -12.057 6.421 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.011 -12.093 4.425 1.00 0.00 O ATOM 0 H ASP A 81 7.468 -10.732 6.875 1.00 0.00 H new ATOM 0 HA ASP A 81 7.416 -12.376 4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.923 -9.863 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.799 -10.554 3.689 1.00 0.00 H new ATOM 1211 N GLU A 82 8.865 -9.463 4.848 1.00 0.00 N ATOM 1212 CA GLU A 82 9.736 -8.439 4.275 1.00 0.00 C ATOM 1213 C GLU A 82 8.992 -7.618 3.228 1.00 0.00 C ATOM 1214 O GLU A 82 9.593 -7.056 2.313 1.00 0.00 O ATOM 1215 CB GLU A 82 11.012 -9.049 3.689 1.00 0.00 C ATOM 1216 CG GLU A 82 12.013 -9.471 4.750 1.00 0.00 C ATOM 1217 CD GLU A 82 13.320 -9.951 4.163 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.965 -9.178 3.421 1.00 0.00 O ATOM 1219 OE2 GLU A 82 13.709 -11.103 4.436 1.00 0.00 O ATOM 0 H GLU A 82 8.674 -9.332 5.841 1.00 0.00 H new ATOM 0 HA GLU A 82 10.035 -7.771 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.748 -9.915 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.481 -8.325 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.206 -8.630 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.579 -10.265 5.357 1.00 0.00 H new ATOM 1226 N VAL A 83 7.677 -7.543 3.381 1.00 0.00 N ATOM 1227 CA VAL A 83 6.859 -6.698 2.530 1.00 0.00 C ATOM 1228 C VAL A 83 6.340 -5.507 3.324 1.00 0.00 C ATOM 1229 O VAL A 83 5.947 -5.644 4.489 1.00 0.00 O ATOM 1230 CB VAL A 83 5.665 -7.463 1.904 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.158 -8.589 1.009 1.00 0.00 C ATOM 1232 CG2 VAL A 83 4.729 -8.006 2.975 1.00 0.00 C ATOM 0 H VAL A 83 7.155 -8.060 4.089 1.00 0.00 H new ATOM 0 HA VAL A 83 7.495 -6.357 1.713 1.00 0.00 H new ATOM 0 HB VAL A 83 5.102 -6.755 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.304 -9.113 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.770 -8.175 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.754 -9.287 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.903 -8.537 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.276 -8.691 3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.337 -7.180 3.568 1.00 0.00 H new ATOM 1242 N MET A 84 6.375 -4.341 2.706 1.00 0.00 N ATOM 1243 CA MET A 84 5.869 -3.131 3.329 1.00 0.00 C ATOM 1244 C MET A 84 4.554 -2.723 2.682 1.00 0.00 C ATOM 1245 O MET A 84 4.462 -2.610 1.462 1.00 0.00 O ATOM 1246 CB MET A 84 6.889 -1.995 3.205 1.00 0.00 C ATOM 1247 CG MET A 84 6.467 -0.715 3.912 1.00 0.00 C ATOM 1248 SD MET A 84 7.659 0.624 3.708 1.00 0.00 S ATOM 1249 CE MET A 84 7.605 0.862 1.933 1.00 0.00 C ATOM 0 H MET A 84 6.751 -4.206 1.767 1.00 0.00 H new ATOM 0 HA MET A 84 5.699 -3.331 4.387 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.843 -2.328 3.614 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.053 -1.779 2.149 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.499 -0.395 3.527 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.335 -0.919 4.975 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.992 1.851 1.687 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.215 0.102 1.445 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.575 0.778 1.586 1.00 0.00 H new ATOM 1259 N PHE A 85 3.543 -2.514 3.502 1.00 0.00 N ATOM 1260 CA PHE A 85 2.236 -2.100 3.020 1.00 0.00 C ATOM 1261 C PHE A 85 1.809 -0.828 3.734 1.00 0.00 C ATOM 1262 O PHE A 85 2.375 -0.479 4.766 1.00 0.00 O ATOM 1263 CB PHE A 85 1.204 -3.220 3.222 1.00 0.00 C ATOM 1264 CG PHE A 85 1.182 -3.799 4.611 1.00 0.00 C ATOM 1265 CD1 PHE A 85 2.026 -4.846 4.952 1.00 0.00 C ATOM 1266 CD2 PHE A 85 0.317 -3.303 5.573 1.00 0.00 C ATOM 1267 CE1 PHE A 85 2.008 -5.383 6.224 1.00 0.00 C ATOM 1268 CE2 PHE A 85 0.296 -3.838 6.846 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.142 -4.878 7.173 1.00 0.00 C ATOM 0 H PHE A 85 3.601 -2.625 4.514 1.00 0.00 H new ATOM 0 HA PHE A 85 2.297 -1.897 1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.213 -2.832 2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.410 -4.020 2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.705 -5.246 4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.348 -2.489 5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.671 -6.197 6.476 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.383 -3.442 7.586 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.127 -5.296 8.169 1.00 0.00 H new ATOM 1279 N ASP A 86 0.830 -0.129 3.185 1.00 0.00 N ATOM 1280 CA ASP A 86 0.381 1.121 3.781 1.00 0.00 C ATOM 1281 C ASP A 86 -0.622 0.844 4.893 1.00 0.00 C ATOM 1282 O ASP A 86 -1.443 -0.072 4.795 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.229 2.058 2.726 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.665 1.718 2.372 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -1.885 0.784 1.570 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -2.580 2.396 2.884 1.00 0.00 O ATOM 0 H ASP A 86 0.334 -0.401 2.336 1.00 0.00 H new ATOM 0 HA ASP A 86 1.250 1.623 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.187 3.083 3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.379 2.019 1.822 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.528 1.619 5.959 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.423 1.478 7.096 1.00 0.00 C ATOM 1293 C LEU A 87 -2.015 2.820 7.492 1.00 0.00 C ATOM 1294 O LEU A 87 -2.668 2.922 8.520 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.690 0.873 8.299 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.538 -0.646 8.286 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.230 -1.110 9.514 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.903 -1.313 8.236 1.00 0.00 C ATOM 0 H LEU A 87 0.166 2.360 6.062 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.228 0.808 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.303 1.319 8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.222 1.159 9.207 1.00 0.00 H new ATOM 0 HG LEU A 87 0.022 -0.932 7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.331 -2.195 9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.220 -0.654 9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.310 -0.814 10.414 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.779 -2.396 8.227 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.483 -1.021 9.112 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.428 -1.001 7.333 1.00 0.00 H new ATOM 1310 N SER A 88 -1.814 3.836 6.655 1.00 0.00 N ATOM 1311 CA SER A 88 -2.260 5.197 6.961 1.00 0.00 C ATOM 1312 C SER A 88 -3.769 5.247 7.227 1.00 0.00 C ATOM 1313 O SER A 88 -4.257 6.139 7.921 1.00 0.00 O ATOM 1314 CB SER A 88 -1.888 6.142 5.812 1.00 0.00 C ATOM 1315 OG SER A 88 -2.172 7.495 6.134 1.00 0.00 O ATOM 0 H SER A 88 -1.343 3.743 5.755 1.00 0.00 H new ATOM 0 HA SER A 88 -1.754 5.522 7.870 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.828 6.037 5.583 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.438 5.858 4.915 1.00 0.00 H new ATOM 0 HG SER A 88 -1.922 8.070 5.381 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.492 4.269 6.693 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.938 4.168 6.887 1.00 0.00 C ATOM 1323 C ASP A 89 -6.285 3.845 8.345 1.00 0.00 C ATOM 1324 O ASP A 89 -7.385 4.139 8.815 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.495 3.080 5.958 1.00 0.00 C ATOM 1326 CG ASP A 89 -7.971 2.794 6.175 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -8.801 3.690 5.920 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -8.310 1.658 6.568 1.00 0.00 O ATOM 0 H ASP A 89 -4.097 3.526 6.116 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.390 5.130 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.340 3.384 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.929 2.161 6.108 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.328 3.271 9.066 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.556 2.825 10.440 1.00 0.00 C ATOM 1335 C ARG A 90 -4.343 3.153 11.305 1.00 0.00 C ATOM 1336 O ARG A 90 -4.170 2.582 12.379 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.772 1.306 10.471 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.674 0.778 9.368 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.541 -0.728 9.216 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.093 -1.195 7.945 1.00 0.00 N ATOM 1341 CZ ARG A 90 -6.353 -1.690 6.951 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -5.038 -1.803 7.098 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -6.928 -2.075 5.817 1.00 0.00 N ATOM 0 H ARG A 90 -4.383 3.102 8.722 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.439 3.337 10.824 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.803 0.812 10.399 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.199 1.032 11.436 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.710 1.033 9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.421 1.264 8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.490 -1.009 9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.055 -1.224 10.040 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.103 -1.139 7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.595 -1.512 7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.471 -2.181 6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.938 -1.993 5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.359 -2.453 5.059 1.00 0.00 H new ATOM 1357 N MET A 91 -3.516 4.077 10.832 1.00 0.00 N ATOM 1358 CA MET A 91 -2.181 4.284 11.396 1.00 0.00 C ATOM 1359 C MET A 91 -2.217 4.767 12.840 1.00 0.00 C ATOM 1360 O MET A 91 -3.133 5.482 13.253 1.00 0.00 O ATOM 1361 CB MET A 91 -1.374 5.272 10.547 1.00 0.00 C ATOM 1362 CG MET A 91 -1.897 6.699 10.577 1.00 0.00 C ATOM 1363 SD MET A 91 -0.793 7.853 9.738 1.00 0.00 S ATOM 1364 CE MET A 91 0.705 7.638 10.698 1.00 0.00 C ATOM 0 H MET A 91 -3.744 4.699 10.056 1.00 0.00 H new ATOM 0 HA MET A 91 -1.695 3.308 11.386 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.340 5.269 10.893 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.366 4.923 9.515 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.880 6.733 10.106 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.028 7.013 11.612 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.163 8.610 10.880 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.462 7.167 11.651 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.402 7.005 10.148 1.00 0.00 H new ATOM 1374 N THR A 92 -1.210 4.359 13.598 1.00 0.00 N ATOM 1375 CA THR A 92 -1.039 4.805 14.967 1.00 0.00 C ATOM 1376 C THR A 92 0.015 5.910 15.022 1.00 0.00 C ATOM 1377 O THR A 92 1.215 5.643 14.950 1.00 0.00 O ATOM 1378 CB THR A 92 -0.603 3.639 15.875 1.00 0.00 C ATOM 1379 OG1 THR A 92 -1.361 2.465 15.553 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.801 3.989 17.341 1.00 0.00 C ATOM 0 H THR A 92 -0.491 3.710 13.279 1.00 0.00 H new ATOM 0 HA THR A 92 -1.996 5.187 15.324 1.00 0.00 H new ATOM 0 HB THR A 92 0.457 3.450 15.706 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.080 1.725 16.131 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.486 3.150 17.961 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.205 4.867 17.589 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.854 4.201 17.525 1.00 0.00 H new ATOM 1388 N PRO A 93 -0.420 7.172 15.122 1.00 0.00 N ATOM 1389 CA PRO A 93 0.488 8.315 15.116 1.00 0.00 C ATOM 1390 C PRO A 93 1.174 8.524 16.461 1.00 0.00 C ATOM 1391 O PRO A 93 0.694 8.058 17.497 1.00 0.00 O ATOM 1392 CB PRO A 93 -0.439 9.485 14.795 1.00 0.00 C ATOM 1393 CG PRO A 93 -1.762 9.085 15.353 1.00 0.00 C ATOM 1394 CD PRO A 93 -1.830 7.583 15.256 1.00 0.00 C ATOM 0 HA PRO A 93 1.306 8.189 14.406 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.081 10.409 15.249 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.499 9.659 13.721 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.861 9.412 16.388 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.575 9.547 14.793 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.291 7.146 16.142 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.422 7.264 14.398 1.00 0.00 H new ATOM 1402 N HIS A 94 2.303 9.223 16.446 1.00 0.00 N ATOM 1403 CA HIS A 94 3.008 9.528 17.682 1.00 0.00 C ATOM 1404 C HIS A 94 2.272 10.619 18.444 1.00 0.00 C ATOM 1405 O HIS A 94 2.221 11.771 18.016 1.00 0.00 O ATOM 1406 CB HIS A 94 4.480 9.907 17.436 1.00 0.00 C ATOM 1407 CG HIS A 94 4.732 10.845 16.290 1.00 0.00 C ATOM 1408 ND1 HIS A 94 5.139 10.409 15.048 1.00 0.00 N ATOM 1409 CD2 HIS A 94 4.677 12.197 16.210 1.00 0.00 C ATOM 1410 CE1 HIS A 94 5.324 11.448 14.256 1.00 0.00 C ATOM 1411 NE2 HIS A 94 5.051 12.547 14.934 1.00 0.00 N ATOM 0 H HIS A 94 2.745 9.585 15.601 1.00 0.00 H new ATOM 0 HA HIS A 94 3.023 8.624 18.291 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.875 10.360 18.345 1.00 0.00 H new ATOM 0 HB3 HIS A 94 5.047 8.992 17.263 1.00 0.00 H new ATOM 0 HD1 HIS A 94 5.276 9.434 14.782 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.392 12.874 17.002 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.645 11.406 13.226 1.00 0.00 H new ATOM 1420 N ASN A 95 1.688 10.233 19.568 1.00 0.00 N ATOM 1421 CA ASN A 95 0.822 11.121 20.335 1.00 0.00 C ATOM 1422 C ASN A 95 1.627 12.075 21.207 1.00 0.00 C ATOM 1423 O ASN A 95 1.139 13.135 21.594 1.00 0.00 O ATOM 1424 CB ASN A 95 -0.144 10.306 21.206 1.00 0.00 C ATOM 1425 CG ASN A 95 0.564 9.472 22.261 1.00 0.00 C ATOM 1426 OD1 ASN A 95 0.880 8.229 21.930 1.00 0.00 O flip ATOM 1427 ND2 ASN A 95 0.810 9.937 23.374 1.00 0.00 N flip ATOM 0 H ASN A 95 1.798 9.304 19.973 1.00 0.00 H new ATOM 0 HA ASN A 95 0.250 11.716 19.623 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.842 10.984 21.696 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.733 9.649 20.567 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.552 10.899 23.593 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.272 9.360 24.077 1.00 0.00 H new ATOM 1434 N GLY A 96 2.859 11.703 21.509 1.00 0.00 N ATOM 1435 CA GLY A 96 3.677 12.520 22.379 1.00 0.00 C ATOM 1436 C GLY A 96 4.783 13.231 21.634 1.00 0.00 C ATOM 1437 O GLY A 96 5.140 12.836 20.522 1.00 0.00 O ATOM 0 H GLY A 96 3.307 10.852 21.169 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.047 13.257 22.878 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.112 11.893 23.157 1.00 0.00 H new ATOM 1441 N PRO A 97 5.345 14.290 22.230 1.00 0.00 N ATOM 1442 CA PRO A 97 6.442 15.049 21.637 1.00 0.00 C ATOM 1443 C PRO A 97 7.757 14.281 21.710 1.00 0.00 C ATOM 1444 O PRO A 97 8.424 14.259 22.747 1.00 0.00 O ATOM 1445 CB PRO A 97 6.514 16.331 22.486 1.00 0.00 C ATOM 1446 CG PRO A 97 5.334 16.284 23.404 1.00 0.00 C ATOM 1447 CD PRO A 97 4.956 14.837 23.532 1.00 0.00 C ATOM 0 HA PRO A 97 6.276 15.250 20.579 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.446 16.374 23.050 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.482 17.219 21.855 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.581 16.709 24.377 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.506 16.868 23.003 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.486 14.350 24.351 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.890 14.712 23.723 1.00 0.00 H new ATOM 1455 N ILE A 98 8.108 13.631 20.612 1.00 0.00 N ATOM 1456 CA ILE A 98 9.317 12.824 20.551 1.00 0.00 C ATOM 1457 C ILE A 98 10.540 13.699 20.303 1.00 0.00 C ATOM 1458 O ILE A 98 10.578 14.454 19.329 1.00 0.00 O ATOM 1459 CB ILE A 98 9.223 11.762 19.435 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.995 10.874 19.648 1.00 0.00 C ATOM 1461 CG2 ILE A 98 10.492 10.919 19.384 1.00 0.00 C ATOM 1462 CD1 ILE A 98 7.812 9.826 18.573 1.00 0.00 C ATOM 0 H ILE A 98 7.569 13.647 19.746 1.00 0.00 H new ATOM 0 HA ILE A 98 9.419 12.322 21.513 1.00 0.00 H new ATOM 0 HB ILE A 98 9.118 12.275 18.479 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.078 10.379 20.616 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.105 11.502 19.687 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.404 10.177 18.590 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.349 11.563 19.186 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.632 10.414 20.340 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.923 9.234 18.789 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.697 10.314 17.605 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.685 9.174 18.549 1.00 0.00 H new ATOM 1474 N PRO A 99 11.544 13.621 21.192 1.00 0.00 N ATOM 1475 CA PRO A 99 12.808 14.342 21.020 1.00 0.00 C ATOM 1476 C PRO A 99 13.507 13.947 19.723 1.00 0.00 C ATOM 1477 O PRO A 99 13.883 12.788 19.534 1.00 0.00 O ATOM 1478 CB PRO A 99 13.643 13.912 22.233 1.00 0.00 C ATOM 1479 CG PRO A 99 12.650 13.428 23.232 1.00 0.00 C ATOM 1480 CD PRO A 99 11.523 12.835 22.437 1.00 0.00 C ATOM 0 HA PRO A 99 12.662 15.420 20.960 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.350 13.126 21.967 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.225 14.745 22.627 1.00 0.00 H new ATOM 0 HG2 PRO A 99 13.093 12.685 23.895 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.297 14.246 23.860 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.679 11.773 22.246 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.570 12.929 22.957 1.00 0.00 H new ATOM 1488 N ARG A 100 13.665 14.911 18.830 1.00 0.00 N ATOM 1489 CA ARG A 100 14.277 14.662 17.535 1.00 0.00 C ATOM 1490 C ARG A 100 15.795 14.652 17.671 1.00 0.00 C ATOM 1491 O ARG A 100 16.415 15.699 17.859 1.00 0.00 O ATOM 1492 CB ARG A 100 13.842 15.738 16.533 1.00 0.00 C ATOM 1493 CG ARG A 100 14.322 15.500 15.108 1.00 0.00 C ATOM 1494 CD ARG A 100 13.584 14.346 14.446 1.00 0.00 C ATOM 1495 NE ARG A 100 14.001 14.155 13.056 1.00 0.00 N ATOM 1496 CZ ARG A 100 13.166 13.854 12.059 1.00 0.00 C ATOM 1497 NH1 ARG A 100 11.866 13.731 12.291 1.00 0.00 N ATOM 1498 NH2 ARG A 100 13.632 13.683 10.825 1.00 0.00 N ATOM 0 H ARG A 100 13.376 15.878 18.980 1.00 0.00 H new ATOM 0 HA ARG A 100 13.950 13.689 17.168 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.754 15.798 16.532 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.214 16.705 16.872 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.179 16.407 14.521 1.00 0.00 H new ATOM 0 HG3 ARG A 100 15.392 15.290 15.115 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.765 13.430 15.008 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.511 14.534 14.480 1.00 0.00 H new ATOM 0 HE ARG A 100 14.991 14.258 12.835 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.501 13.867 13.234 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.231 13.501 11.527 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.630 13.782 10.638 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.991 13.453 10.065 1.00 0.00 H new ATOM 1512 N TYR A 101 16.388 13.469 17.604 1.00 0.00 N ATOM 1513 CA TYR A 101 17.835 13.341 17.713 1.00 0.00 C ATOM 1514 C TYR A 101 18.489 13.523 16.351 1.00 0.00 C ATOM 1515 O TYR A 101 19.673 13.846 16.254 1.00 0.00 O ATOM 1516 CB TYR A 101 18.221 11.981 18.302 1.00 0.00 C ATOM 1517 CG TYR A 101 17.802 11.789 19.745 1.00 0.00 C ATOM 1518 CD1 TYR A 101 18.542 12.342 20.783 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.678 11.041 20.068 1.00 0.00 C ATOM 1520 CE1 TYR A 101 18.172 12.155 22.103 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.300 10.853 21.384 1.00 0.00 C ATOM 1522 CZ TYR A 101 17.050 11.410 22.398 1.00 0.00 C ATOM 1523 OH TYR A 101 16.681 11.212 23.712 1.00 0.00 O ATOM 0 H TYR A 101 15.892 12.587 17.475 1.00 0.00 H new ATOM 0 HA TYR A 101 18.192 14.122 18.384 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.771 11.194 17.697 1.00 0.00 H new ATOM 0 HB3 TYR A 101 19.302 11.860 18.230 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.421 12.928 20.556 1.00 0.00 H new ATOM 0 HD2 TYR A 101 16.089 10.599 19.278 1.00 0.00 H new ATOM 0 HE1 TYR A 101 18.759 12.590 22.898 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.420 10.272 21.617 1.00 0.00 H new ATOM 0 HH TYR A 101 15.868 10.666 23.745 1.00 0.00 H new ATOM 1533 N VAL A 102 17.708 13.312 15.302 1.00 0.00 N ATOM 1534 CA VAL A 102 18.197 13.472 13.942 1.00 0.00 C ATOM 1535 C VAL A 102 17.568 14.696 13.273 1.00 0.00 C ATOM 1536 O VAL A 102 18.068 15.816 13.500 1.00 0.00 O ATOM 1537 CB VAL A 102 17.949 12.203 13.092 1.00 0.00 C ATOM 1538 CG1 VAL A 102 18.936 11.114 13.480 1.00 0.00 C ATOM 1539 CG2 VAL A 102 16.521 11.694 13.257 1.00 0.00 C ATOM 1540 OXT VAL A 102 16.582 14.543 12.523 1.00 0.00 O ATOM 0 H VAL A 102 16.730 13.029 15.368 1.00 0.00 H new ATOM 0 HA VAL A 102 19.274 13.627 14.003 1.00 0.00 H new ATOM 0 HB VAL A 102 18.095 12.467 12.045 1.00 0.00 H new ATOM 0 HG11 VAL A 102 18.753 10.225 12.876 1.00 0.00 H new ATOM 0 HG12 VAL A 102 19.953 11.467 13.308 1.00 0.00 H new ATOM 0 HG13 VAL A 102 18.811 10.868 14.535 1.00 0.00 H new ATOM 0 HG21 VAL A 102 16.380 10.802 12.647 1.00 0.00 H new ATOM 0 HG22 VAL A 102 16.340 11.450 14.304 1.00 0.00 H new ATOM 0 HG23 VAL A 102 15.820 12.466 12.938 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.261 -11.418 7.103 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.372 -6.385 20.320 1.00 0.00 ZN