USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 637 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 10 HIS :FLIP no HE2:sc= -1.25 F(o=-11!,f=-2.3) USER MOD Set 1.2: A 32 ASN :FLIP amide:sc= -1.03! C(o=-6.3!,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0538 (180deg=-0.217) USER MOD Single : A 2 THR OG1 : rot -8:sc= 0.563! USER MOD Single : A 6 SER OG : rot 58:sc= 0.428 USER MOD Single : A 7 SER OG : rot 53:sc= 1.18 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.26 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 149:sc= -0.0331 (180deg=-1.15) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -159:sc= -9.03! (180deg=-10!) USER MOD Single : A 34 GLN : amide:sc= -0.0574 K(o=-0.057,f=-2.8!) USER MOD Single : A 38 THR OG1 : rot 14:sc= 0.112 USER MOD Single : A 48 THR OG1 : rot -78:sc= -5.13! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 56 CYS SG : rot -99:sc= -15.5! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 158:sc= -3.23! (180deg=-4.84!) USER MOD Single : A 61 HIS : no HE2:sc= -10.5! C(o=-11!,f=-18!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.025 USER MOD Single : A 73 TYR OH : rot 173:sc= -0.364 USER MOD Single : A 75 TYR OH : rot 177:sc= -10.8! USER MOD Single : A 79 LYS NZ :NH3+ 165:sc= 0.0929 (180deg=0.0271) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.533 11.368 0.806 1.00 0.00 N ATOM 2 CA MET A 1 -18.305 11.375 1.651 1.00 0.00 C ATOM 3 C MET A 1 -17.830 9.938 1.870 1.00 0.00 C ATOM 4 O MET A 1 -17.207 9.625 2.866 1.00 0.00 O ATOM 5 CB MET A 1 -18.619 12.020 3.002 1.00 0.00 C ATOM 6 CG MET A 1 -18.017 13.426 3.047 1.00 0.00 C ATOM 7 SD MET A 1 -19.257 14.631 2.512 1.00 0.00 S ATOM 8 CE MET A 1 -18.361 16.118 3.020 1.00 0.00 C ATOM 0 H1 MET A 1 -19.962 12.315 0.809 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.282 11.105 -0.168 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.212 10.679 1.187 1.00 0.00 H new ATOM 0 HA MET A 1 -17.522 11.945 1.150 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.698 12.069 3.152 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.212 11.412 3.811 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.682 13.657 4.058 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.141 13.479 2.401 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.954 17.000 2.780 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.180 16.084 4.094 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.408 16.167 2.493 1.00 0.00 H new ATOM 20 N THR A 2 -18.117 9.059 0.949 1.00 0.00 N ATOM 21 CA THR A 2 -17.680 7.644 1.105 1.00 0.00 C ATOM 22 C THR A 2 -16.287 7.470 0.498 1.00 0.00 C ATOM 23 O THR A 2 -16.070 7.732 -0.668 1.00 0.00 O ATOM 24 CB THR A 2 -18.669 6.722 0.387 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.384 6.719 -1.005 1.00 0.00 O ATOM 26 CG2 THR A 2 -20.095 7.222 0.617 1.00 0.00 C ATOM 0 H THR A 2 -18.636 9.261 0.094 1.00 0.00 H new ATOM 0 HA THR A 2 -17.649 7.388 2.164 1.00 0.00 H new ATOM 0 HB THR A 2 -18.575 5.710 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.707 7.400 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.798 6.565 0.105 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.312 7.224 1.685 1.00 0.00 H new ATOM 0 HG23 THR A 2 -20.193 8.234 0.225 1.00 0.00 H new ATOM 34 N ASP A 3 -15.338 7.032 1.282 1.00 0.00 N ATOM 35 CA ASP A 3 -13.960 6.845 0.749 1.00 0.00 C ATOM 36 C ASP A 3 -13.604 5.357 0.761 1.00 0.00 C ATOM 37 O ASP A 3 -14.008 4.619 1.638 1.00 0.00 O ATOM 38 CB ASP A 3 -12.966 7.611 1.624 1.00 0.00 C ATOM 39 CG ASP A 3 -12.533 8.891 0.907 1.00 0.00 C ATOM 40 OD1 ASP A 3 -12.634 8.929 -0.308 1.00 0.00 O ATOM 41 OD2 ASP A 3 -12.106 9.812 1.586 1.00 0.00 O ATOM 0 H ASP A 3 -15.459 6.796 2.267 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.913 7.222 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.423 7.856 2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.097 6.988 1.835 1.00 0.00 H new ATOM 46 N LEU A 4 -12.849 4.910 -0.205 1.00 0.00 N ATOM 47 CA LEU A 4 -12.465 3.471 -0.247 1.00 0.00 C ATOM 48 C LEU A 4 -11.416 3.191 0.833 1.00 0.00 C ATOM 49 O LEU A 4 -11.032 2.061 1.061 1.00 0.00 O ATOM 50 CB LEU A 4 -11.882 3.141 -1.622 1.00 0.00 C ATOM 51 CG LEU A 4 -12.829 3.643 -2.713 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.023 4.018 -3.958 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.828 2.540 -3.069 1.00 0.00 C ATOM 0 H LEU A 4 -12.481 5.480 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.345 2.854 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.902 3.606 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.737 2.065 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.366 4.519 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.699 4.376 -4.735 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.310 4.804 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.485 3.142 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.503 2.898 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.289 1.664 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.404 2.271 -2.184 1.00 0.00 H new ATOM 65 N PHE A 5 -10.951 4.212 1.499 1.00 0.00 N ATOM 66 CA PHE A 5 -9.928 4.011 2.563 1.00 0.00 C ATOM 67 C PHE A 5 -10.614 3.695 3.889 1.00 0.00 C ATOM 68 O PHE A 5 -10.016 3.793 4.942 1.00 0.00 O ATOM 69 CB PHE A 5 -9.082 5.274 2.710 1.00 0.00 C ATOM 70 CG PHE A 5 -7.880 5.186 1.799 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.878 4.307 0.711 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.762 5.984 2.040 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.760 4.234 -0.127 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.654 5.907 1.191 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.649 5.038 0.113 1.00 0.00 C ATOM 0 H PHE A 5 -11.237 5.180 1.351 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.284 3.176 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.676 6.153 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.759 5.390 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.739 3.685 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.752 6.661 2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.759 3.551 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.793 6.532 1.378 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.789 4.984 -0.538 1.00 0.00 H new ATOM 85 N SER A 6 -11.865 3.323 3.848 1.00 0.00 N ATOM 86 CA SER A 6 -12.588 2.996 5.109 1.00 0.00 C ATOM 87 C SER A 6 -11.696 2.103 5.977 1.00 0.00 C ATOM 88 O SER A 6 -10.629 1.693 5.568 1.00 0.00 O ATOM 89 CB SER A 6 -13.884 2.256 4.778 1.00 0.00 C ATOM 90 OG SER A 6 -14.774 3.144 4.114 1.00 0.00 O ATOM 0 H SER A 6 -12.417 3.232 2.995 1.00 0.00 H new ATOM 0 HA SER A 6 -12.826 3.914 5.646 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.673 1.394 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.344 1.877 5.691 1.00 0.00 H new ATOM 0 HG SER A 6 -14.347 3.488 3.301 1.00 0.00 H new ATOM 96 N SER A 7 -12.118 1.796 7.172 1.00 0.00 N ATOM 97 CA SER A 7 -11.273 0.939 8.050 1.00 0.00 C ATOM 98 C SER A 7 -10.770 -0.266 7.247 1.00 0.00 C ATOM 99 O SER A 7 -11.519 -1.185 6.980 1.00 0.00 O ATOM 100 CB SER A 7 -12.113 0.445 9.230 1.00 0.00 C ATOM 101 OG SER A 7 -13.153 -0.394 8.744 1.00 0.00 O ATOM 0 H SER A 7 -13.004 2.099 7.576 1.00 0.00 H new ATOM 0 HA SER A 7 -10.424 1.514 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.486 -0.103 9.934 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.535 1.292 9.771 1.00 0.00 H new ATOM 0 HG SER A 7 -12.769 -1.095 8.177 1.00 0.00 H new ATOM 107 N PRO A 8 -9.510 -0.221 6.878 1.00 0.00 N ATOM 108 CA PRO A 8 -8.875 -1.294 6.094 1.00 0.00 C ATOM 109 C PRO A 8 -8.605 -2.511 6.980 1.00 0.00 C ATOM 110 O PRO A 8 -8.647 -2.432 8.192 1.00 0.00 O ATOM 111 CB PRO A 8 -7.572 -0.665 5.597 1.00 0.00 C ATOM 112 CG PRO A 8 -7.263 0.508 6.558 1.00 0.00 C ATOM 113 CD PRO A 8 -8.598 0.894 7.220 1.00 0.00 C ATOM 0 HA PRO A 8 -9.497 -1.652 5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.762 -1.394 5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.677 -0.310 4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.529 0.212 7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.841 1.353 6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.490 1.003 8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.971 1.845 6.839 1.00 0.00 H new ATOM 121 N ASP A 9 -8.328 -3.635 6.385 1.00 0.00 N ATOM 122 CA ASP A 9 -8.055 -4.855 7.191 1.00 0.00 C ATOM 123 C ASP A 9 -6.622 -4.798 7.724 1.00 0.00 C ATOM 124 O ASP A 9 -6.288 -5.430 8.705 1.00 0.00 O ATOM 125 CB ASP A 9 -8.228 -6.096 6.314 1.00 0.00 C ATOM 126 CG ASP A 9 -9.684 -6.196 5.854 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.522 -6.529 6.676 1.00 0.00 O ATOM 128 OD2 ASP A 9 -9.936 -5.938 4.689 1.00 0.00 O ATOM 0 H ASP A 9 -8.279 -3.762 5.374 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.753 -4.905 8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.566 -6.039 5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.949 -6.990 6.871 1.00 0.00 H new ATOM 133 N HIS A 10 -5.771 -4.049 7.077 1.00 0.00 N ATOM 134 CA HIS A 10 -4.359 -3.958 7.537 1.00 0.00 C ATOM 135 C HIS A 10 -3.811 -2.561 7.241 1.00 0.00 C ATOM 136 O HIS A 10 -4.475 -1.751 6.639 1.00 0.00 O ATOM 137 CB HIS A 10 -3.535 -4.995 6.782 1.00 0.00 C ATOM 138 CG HIS A 10 -3.703 -6.329 7.450 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.777 -7.179 7.525 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.687 -6.934 8.171 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.437 -8.296 8.281 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -3.168 -8.097 8.646 1.00 0.00 N flip ATOM 0 H HIS A 10 -5.994 -3.496 6.249 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.305 -4.143 8.610 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.859 -5.050 5.743 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.484 -4.707 6.773 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -5.686 -7.017 7.092 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.692 -6.544 8.324 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.064 -9.142 8.521 1.00 0.00 H new ATOM 150 N THR A 11 -2.609 -2.271 7.665 1.00 0.00 N ATOM 151 CA THR A 11 -2.030 -0.926 7.399 1.00 0.00 C ATOM 152 C THR A 11 -0.520 -1.049 7.175 1.00 0.00 C ATOM 153 O THR A 11 0.097 -2.028 7.548 1.00 0.00 O ATOM 154 CB THR A 11 -2.280 -0.027 8.601 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.671 0.000 8.891 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.787 1.390 8.300 1.00 0.00 C ATOM 0 H THR A 11 -2.005 -2.909 8.184 1.00 0.00 H new ATOM 0 HA THR A 11 -2.497 -0.501 6.511 1.00 0.00 H new ATOM 0 HB THR A 11 -1.738 -0.417 9.463 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.832 0.578 9.666 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.968 2.030 9.164 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.719 1.365 8.085 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.322 1.786 7.437 1.00 0.00 H new ATOM 164 N LEU A 12 0.083 -0.054 6.585 1.00 0.00 N ATOM 165 CA LEU A 12 1.557 -0.098 6.353 1.00 0.00 C ATOM 166 C LEU A 12 2.140 1.304 6.454 1.00 0.00 C ATOM 167 O LEU A 12 1.985 2.110 5.565 1.00 0.00 O ATOM 168 CB LEU A 12 1.862 -0.629 4.950 1.00 0.00 C ATOM 169 CG LEU A 12 3.328 -0.304 4.567 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.245 -0.542 5.771 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.771 -1.224 3.436 1.00 0.00 C ATOM 0 H LEU A 12 -0.382 0.791 6.252 1.00 0.00 H new ATOM 0 HA LEU A 12 1.996 -0.753 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.699 -1.706 4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.181 -0.181 4.227 1.00 0.00 H new ATOM 0 HG LEU A 12 3.389 0.738 4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.274 -0.312 5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.937 0.101 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.177 -1.585 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.802 -0.997 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.702 -2.262 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.127 -1.072 2.570 1.00 0.00 H new ATOM 183 N ASP A 13 2.858 1.588 7.494 1.00 0.00 N ATOM 184 CA ASP A 13 3.487 2.927 7.591 1.00 0.00 C ATOM 185 C ASP A 13 4.662 2.943 6.613 1.00 0.00 C ATOM 186 O ASP A 13 5.459 2.027 6.585 1.00 0.00 O ATOM 187 CB ASP A 13 3.995 3.161 9.015 1.00 0.00 C ATOM 188 CG ASP A 13 4.340 4.641 9.198 1.00 0.00 C ATOM 189 OD1 ASP A 13 3.618 5.467 8.663 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.319 4.922 9.868 1.00 0.00 O ATOM 0 H ASP A 13 3.037 0.958 8.276 1.00 0.00 H new ATOM 0 HA ASP A 13 2.769 3.712 7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.235 2.862 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.875 2.546 9.204 1.00 0.00 H new ATOM 195 N ALA A 14 4.801 3.969 5.825 1.00 0.00 N ATOM 196 CA ALA A 14 5.951 4.005 4.884 1.00 0.00 C ATOM 197 C ALA A 14 6.507 5.425 4.899 1.00 0.00 C ATOM 198 O ALA A 14 7.279 5.869 4.046 1.00 0.00 O ATOM 199 CB ALA A 14 5.511 3.554 3.501 1.00 0.00 C ATOM 0 H ALA A 14 4.177 4.775 5.791 1.00 0.00 H new ATOM 0 HA ALA A 14 6.740 3.316 5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.362 3.585 2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.126 2.536 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.729 4.218 3.134 1.00 0.00 H new ATOM 205 N LEU A 15 6.127 6.116 5.930 1.00 0.00 N ATOM 206 CA LEU A 15 6.607 7.475 6.170 1.00 0.00 C ATOM 207 C LEU A 15 7.995 7.336 6.763 1.00 0.00 C ATOM 208 O LEU A 15 8.172 6.905 7.885 1.00 0.00 O ATOM 209 CB LEU A 15 5.696 8.160 7.160 1.00 0.00 C ATOM 210 CG LEU A 15 4.240 7.852 6.825 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.340 8.313 7.973 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.865 8.600 5.552 1.00 0.00 C ATOM 0 H LEU A 15 5.478 5.770 6.637 1.00 0.00 H new ATOM 0 HA LEU A 15 6.624 8.065 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.925 7.823 8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.864 9.237 7.137 1.00 0.00 H new ATOM 0 HG LEU A 15 4.111 6.779 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.300 8.092 7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.619 7.789 8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.458 9.387 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.826 8.390 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.991 9.671 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.510 8.275 4.736 1.00 0.00 H new ATOM 224 N GLY A 16 8.974 7.633 5.991 1.00 0.00 N ATOM 225 CA GLY A 16 10.372 7.458 6.456 1.00 0.00 C ATOM 226 C GLY A 16 10.865 6.115 5.911 1.00 0.00 C ATOM 227 O GLY A 16 12.020 5.760 6.040 1.00 0.00 O ATOM 0 H GLY A 16 8.876 7.995 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.001 8.273 6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.420 7.472 7.545 1.00 0.00 H new ATOM 231 N LEU A 17 9.984 5.378 5.272 1.00 0.00 N ATOM 232 CA LEU A 17 10.364 4.078 4.679 1.00 0.00 C ATOM 233 C LEU A 17 10.752 4.339 3.255 1.00 0.00 C ATOM 234 O LEU A 17 10.205 5.202 2.614 1.00 0.00 O ATOM 235 CB LEU A 17 9.169 3.131 4.652 1.00 0.00 C ATOM 236 CG LEU A 17 8.775 2.698 6.057 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.183 1.299 5.967 1.00 0.00 C ATOM 238 CD2 LEU A 17 9.992 2.656 6.963 1.00 0.00 C ATOM 0 H LEU A 17 9.006 5.637 5.141 1.00 0.00 H new ATOM 0 HA LEU A 17 11.169 3.633 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.324 3.622 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.411 2.253 4.053 1.00 0.00 H new ATOM 0 HG LEU A 17 8.057 3.407 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.891 0.963 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.307 1.316 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.926 0.615 5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.691 2.344 7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.717 1.946 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.443 3.647 7.012 1.00 0.00 H new ATOM 250 N ARG A 18 11.657 3.604 2.733 1.00 0.00 N ATOM 251 CA ARG A 18 12.012 3.853 1.327 1.00 0.00 C ATOM 252 C ARG A 18 12.297 2.537 0.641 1.00 0.00 C ATOM 253 O ARG A 18 12.774 1.601 1.244 1.00 0.00 O ATOM 254 CB ARG A 18 13.204 4.780 1.258 1.00 0.00 C ATOM 255 CG ARG A 18 14.233 4.388 2.320 1.00 0.00 C ATOM 256 CD ARG A 18 15.446 5.314 2.221 1.00 0.00 C ATOM 257 NE ARG A 18 16.329 5.103 3.402 1.00 0.00 N ATOM 258 CZ ARG A 18 16.853 6.129 4.017 1.00 0.00 C ATOM 259 NH1 ARG A 18 17.563 6.997 3.348 1.00 0.00 N ATOM 260 NH2 ARG A 18 16.668 6.286 5.299 1.00 0.00 N ATOM 0 H ARG A 18 12.163 2.853 3.201 1.00 0.00 H new ATOM 0 HA ARG A 18 11.181 4.335 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.656 4.732 0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.884 5.810 1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.790 4.456 3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.541 3.352 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.996 5.113 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.121 6.353 2.178 1.00 0.00 H new ATOM 0 HE ARG A 18 16.524 4.157 3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.708 6.873 2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.973 7.799 3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.114 5.607 5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.077 7.087 5.779 1.00 0.00 H new ATOM 274 N CYS A 19 12.001 2.455 -0.609 1.00 0.00 N ATOM 275 CA CYS A 19 12.236 1.176 -1.328 1.00 0.00 C ATOM 276 C CYS A 19 13.633 0.674 -0.992 1.00 0.00 C ATOM 277 O CYS A 19 14.560 1.453 -0.894 1.00 0.00 O ATOM 278 CB CYS A 19 12.114 1.408 -2.831 1.00 0.00 C ATOM 279 SG CYS A 19 12.762 -0.022 -3.734 1.00 0.00 S ATOM 0 H CYS A 19 11.607 3.210 -1.171 1.00 0.00 H new ATOM 0 HA CYS A 19 11.498 0.434 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.070 1.574 -3.098 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.663 2.306 -3.114 1.00 0.00 H new ATOM 0 HG CYS A 19 12.651 0.186 -5.013 1.00 0.00 H new ATOM 285 N PRO A 20 13.751 -0.618 -0.836 1.00 0.00 N ATOM 286 CA PRO A 20 12.631 -1.586 -0.953 1.00 0.00 C ATOM 287 C PRO A 20 11.913 -1.789 0.396 1.00 0.00 C ATOM 288 O PRO A 20 11.063 -2.640 0.522 1.00 0.00 O ATOM 289 CB PRO A 20 13.343 -2.886 -1.313 1.00 0.00 C ATOM 290 CG PRO A 20 14.792 -2.746 -0.779 1.00 0.00 C ATOM 291 CD PRO A 20 15.050 -1.248 -0.555 1.00 0.00 C ATOM 0 HA PRO A 20 11.878 -1.255 -1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.842 -3.742 -0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.339 -3.047 -2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.915 -3.301 0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.506 -3.157 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.379 -1.048 0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.828 -0.873 -1.220 1.00 0.00 H new ATOM 299 N GLU A 21 12.305 -1.073 1.410 1.00 0.00 N ATOM 300 CA GLU A 21 11.707 -1.269 2.783 1.00 0.00 C ATOM 301 C GLU A 21 10.175 -1.222 2.820 1.00 0.00 C ATOM 302 O GLU A 21 9.562 -2.070 3.434 1.00 0.00 O ATOM 303 CB GLU A 21 12.258 -0.218 3.735 1.00 0.00 C ATOM 304 CG GLU A 21 13.666 -0.613 4.181 1.00 0.00 C ATOM 305 CD GLU A 21 13.825 -0.335 5.677 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.235 -1.061 6.460 1.00 0.00 O ATOM 307 OE2 GLU A 21 14.534 0.599 6.013 1.00 0.00 O ATOM 0 H GLU A 21 13.022 -0.349 1.358 1.00 0.00 H new ATOM 0 HA GLU A 21 11.992 -2.275 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.281 0.755 3.244 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.605 -0.121 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.841 -1.669 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.409 -0.051 3.615 1.00 0.00 H new ATOM 314 N PRO A 22 9.596 -0.248 2.196 1.00 0.00 N ATOM 315 CA PRO A 22 8.136 -0.097 2.181 1.00 0.00 C ATOM 316 C PRO A 22 7.555 -1.214 1.345 1.00 0.00 C ATOM 317 O PRO A 22 6.836 -2.066 1.825 1.00 0.00 O ATOM 318 CB PRO A 22 7.925 1.276 1.555 1.00 0.00 C ATOM 319 CG PRO A 22 9.219 1.613 0.788 1.00 0.00 C ATOM 320 CD PRO A 22 10.325 0.761 1.425 1.00 0.00 C ATOM 0 HA PRO A 22 7.654 -0.158 3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.067 1.268 0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.723 2.024 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.114 1.385 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.452 2.675 0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.961 0.302 0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.973 1.361 2.064 1.00 0.00 H new ATOM 328 N VAL A 23 7.907 -1.245 0.107 1.00 0.00 N ATOM 329 CA VAL A 23 7.437 -2.350 -0.758 1.00 0.00 C ATOM 330 C VAL A 23 7.666 -3.663 -0.008 1.00 0.00 C ATOM 331 O VAL A 23 6.992 -4.649 -0.230 1.00 0.00 O ATOM 332 CB VAL A 23 8.274 -2.367 -2.029 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.961 -3.628 -2.835 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.961 -1.129 -2.868 1.00 0.00 C ATOM 0 H VAL A 23 8.501 -0.554 -0.350 1.00 0.00 H new ATOM 0 HA VAL A 23 6.383 -2.223 -1.006 1.00 0.00 H new ATOM 0 HB VAL A 23 9.331 -2.363 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.562 -3.637 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.194 -4.509 -2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.903 -3.638 -3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.562 -1.144 -3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.903 -1.126 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.194 -0.232 -2.294 1.00 0.00 H new ATOM 344 N MET A 24 8.630 -3.679 0.884 1.00 0.00 N ATOM 345 CA MET A 24 8.915 -4.928 1.647 1.00 0.00 C ATOM 346 C MET A 24 7.842 -5.132 2.716 1.00 0.00 C ATOM 347 O MET A 24 7.375 -6.232 2.938 1.00 0.00 O ATOM 348 CB MET A 24 10.286 -4.818 2.315 1.00 0.00 C ATOM 349 CG MET A 24 11.380 -5.170 1.304 1.00 0.00 C ATOM 350 SD MET A 24 12.267 -6.645 1.862 1.00 0.00 S ATOM 351 CE MET A 24 13.922 -5.914 1.898 1.00 0.00 C ATOM 0 H MET A 24 9.226 -2.884 1.113 1.00 0.00 H new ATOM 0 HA MET A 24 8.911 -5.777 0.964 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.438 -3.807 2.693 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.339 -5.490 3.172 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.940 -5.347 0.323 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.073 -4.335 1.196 1.00 0.00 H new ATOM 0 HE1 MET A 24 14.644 -6.664 2.222 1.00 0.00 H new ATOM 0 HE2 MET A 24 14.186 -5.563 0.901 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.934 -5.075 2.593 1.00 0.00 H new ATOM 361 N MET A 25 7.446 -4.082 3.379 1.00 0.00 N ATOM 362 CA MET A 25 6.405 -4.219 4.430 1.00 0.00 C ATOM 363 C MET A 25 5.121 -4.734 3.790 1.00 0.00 C ATOM 364 O MET A 25 4.473 -5.610 4.314 1.00 0.00 O ATOM 365 CB MET A 25 6.152 -2.861 5.081 1.00 0.00 C ATOM 366 CG MET A 25 7.146 -2.651 6.224 1.00 0.00 C ATOM 367 SD MET A 25 6.279 -1.978 7.664 1.00 0.00 S ATOM 368 CE MET A 25 7.742 -1.408 8.564 1.00 0.00 C ATOM 0 H MET A 25 7.799 -3.136 3.237 1.00 0.00 H new ATOM 0 HA MET A 25 6.740 -4.921 5.194 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.257 -2.066 4.342 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.131 -2.811 5.459 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.623 -3.596 6.483 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.937 -1.969 5.911 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.486 -0.529 9.155 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.094 -2.200 9.225 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.529 -1.152 7.854 1.00 0.00 H new ATOM 378 N VAL A 26 4.750 -4.209 2.654 1.00 0.00 N ATOM 379 CA VAL A 26 3.510 -4.702 1.989 1.00 0.00 C ATOM 380 C VAL A 26 3.688 -6.181 1.664 1.00 0.00 C ATOM 381 O VAL A 26 2.741 -6.926 1.623 1.00 0.00 O ATOM 382 CB VAL A 26 3.266 -3.930 0.695 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.135 -4.587 -0.106 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.855 -2.502 1.027 1.00 0.00 C ATOM 0 H VAL A 26 5.247 -3.467 2.161 1.00 0.00 H new ATOM 0 HA VAL A 26 2.658 -4.558 2.653 1.00 0.00 H new ATOM 0 HB VAL A 26 4.184 -3.934 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.969 -4.028 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.410 -5.613 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.221 -4.587 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.680 -1.950 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.941 -2.515 1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.649 -2.018 1.595 1.00 0.00 H new ATOM 394 N ARG A 27 4.899 -6.609 1.422 1.00 0.00 N ATOM 395 CA ARG A 27 5.125 -8.053 1.101 1.00 0.00 C ATOM 396 C ARG A 27 4.749 -8.895 2.308 1.00 0.00 C ATOM 397 O ARG A 27 3.923 -9.763 2.229 1.00 0.00 O ATOM 398 CB ARG A 27 6.599 -8.312 0.790 1.00 0.00 C ATOM 399 CG ARG A 27 6.712 -9.411 -0.270 1.00 0.00 C ATOM 400 CD ARG A 27 6.628 -8.795 -1.667 1.00 0.00 C ATOM 401 NE ARG A 27 7.819 -9.202 -2.466 1.00 0.00 N ATOM 402 CZ ARG A 27 9.005 -9.188 -1.923 1.00 0.00 C ATOM 403 NH1 ARG A 27 9.477 -8.084 -1.413 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.721 -10.280 -1.892 1.00 0.00 N ATOM 0 H ARG A 27 5.737 -6.028 1.432 1.00 0.00 H new ATOM 0 HA ARG A 27 4.517 -8.312 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.072 -7.397 0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.126 -8.611 1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.655 -9.945 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.914 -10.141 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.715 -9.121 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.581 -7.708 -1.594 1.00 0.00 H new ATOM 0 HE ARG A 27 7.706 -9.492 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.919 -7.231 -1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.404 -8.074 -0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.353 -11.143 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.648 -10.270 -1.468 1.00 0.00 H new ATOM 418 N LYS A 28 5.369 -8.634 3.418 1.00 0.00 N ATOM 419 CA LYS A 28 5.081 -9.411 4.666 1.00 0.00 C ATOM 420 C LYS A 28 3.594 -9.311 4.978 1.00 0.00 C ATOM 421 O LYS A 28 2.948 -10.277 5.321 1.00 0.00 O ATOM 422 CB LYS A 28 5.887 -8.828 5.829 1.00 0.00 C ATOM 423 CG LYS A 28 7.353 -9.243 5.697 1.00 0.00 C ATOM 424 CD LYS A 28 7.802 -9.945 6.980 1.00 0.00 C ATOM 425 CE LYS A 28 9.224 -9.504 7.333 1.00 0.00 C ATOM 426 NZ LYS A 28 9.212 -8.782 8.637 1.00 0.00 N ATOM 0 H LYS A 28 6.075 -7.906 3.523 1.00 0.00 H new ATOM 0 HA LYS A 28 5.360 -10.455 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.805 -7.741 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.483 -9.181 6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.478 -9.908 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.975 -8.367 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.122 -9.703 7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.768 -11.026 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.881 -10.372 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.620 -8.857 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.179 -8.482 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.598 -7.946 8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.851 -9.414 9.380 1.00 0.00 H new ATOM 440 N THR A 29 3.053 -8.145 4.826 1.00 0.00 N ATOM 441 CA THR A 29 1.603 -7.936 5.058 1.00 0.00 C ATOM 442 C THR A 29 0.870 -8.770 4.018 1.00 0.00 C ATOM 443 O THR A 29 -0.177 -9.336 4.250 1.00 0.00 O ATOM 444 CB THR A 29 1.335 -6.449 4.843 1.00 0.00 C ATOM 445 OG1 THR A 29 1.464 -5.757 6.076 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.054 -6.195 4.248 1.00 0.00 C ATOM 0 H THR A 29 3.564 -7.308 4.545 1.00 0.00 H new ATOM 0 HA THR A 29 1.277 -8.226 6.057 1.00 0.00 H new ATOM 0 HB THR A 29 2.071 -6.080 4.129 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.293 -4.802 5.935 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.201 -5.124 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.134 -6.697 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.816 -6.583 4.924 1.00 0.00 H new ATOM 454 N VAL A 30 1.462 -8.868 2.875 1.00 0.00 N ATOM 455 CA VAL A 30 0.881 -9.676 1.787 1.00 0.00 C ATOM 456 C VAL A 30 1.063 -11.139 2.185 1.00 0.00 C ATOM 457 O VAL A 30 0.319 -12.014 1.788 1.00 0.00 O ATOM 458 CB VAL A 30 1.663 -9.386 0.500 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.424 -10.493 -0.507 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.229 -8.052 -0.114 1.00 0.00 C ATOM 0 H VAL A 30 2.344 -8.412 2.644 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.172 -9.449 1.623 1.00 0.00 H new ATOM 0 HB VAL A 30 2.722 -9.332 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.982 -10.282 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.758 -11.443 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.360 -10.552 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.798 -7.869 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.166 -8.089 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.414 -7.247 0.597 1.00 0.00 H new ATOM 470 N ARG A 31 2.059 -11.388 2.995 1.00 0.00 N ATOM 471 CA ARG A 31 2.328 -12.768 3.472 1.00 0.00 C ATOM 472 C ARG A 31 1.276 -13.127 4.515 1.00 0.00 C ATOM 473 O ARG A 31 0.884 -14.270 4.647 1.00 0.00 O ATOM 474 CB ARG A 31 3.711 -12.841 4.132 1.00 0.00 C ATOM 475 CG ARG A 31 4.799 -12.405 3.145 1.00 0.00 C ATOM 476 CD ARG A 31 6.179 -12.748 3.711 1.00 0.00 C ATOM 477 NE ARG A 31 6.089 -13.982 4.541 1.00 0.00 N ATOM 478 CZ ARG A 31 6.705 -15.068 4.163 1.00 0.00 C ATOM 479 NH1 ARG A 31 6.336 -15.681 3.071 1.00 0.00 N ATOM 480 NH2 ARG A 31 7.687 -15.544 4.878 1.00 0.00 N ATOM 0 H ARG A 31 2.704 -10.681 3.348 1.00 0.00 H new ATOM 0 HA ARG A 31 2.296 -13.456 2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.734 -12.201 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.906 -13.858 4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.655 -12.904 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.727 -11.333 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.890 -12.896 2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.552 -11.920 4.313 1.00 0.00 H new ATOM 0 HE ARG A 31 5.546 -13.978 5.404 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.566 -15.311 2.514 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.818 -16.530 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.973 -15.067 5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.168 -16.393 4.582 1.00 0.00 H new ATOM 494 N ASN A 32 0.812 -12.158 5.265 1.00 0.00 N ATOM 495 CA ASN A 32 -0.217 -12.473 6.296 1.00 0.00 C ATOM 496 C ASN A 32 -1.579 -11.951 5.827 1.00 0.00 C ATOM 497 O ASN A 32 -2.569 -12.057 6.523 1.00 0.00 O ATOM 498 CB ASN A 32 0.179 -11.847 7.649 1.00 0.00 C ATOM 499 CG ASN A 32 -0.408 -10.443 7.792 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.147 -9.557 6.885 1.00 0.00 O flip ATOM 501 ND2 ASN A 32 -1.107 -10.157 8.744 1.00 0.00 N flip ATOM 0 H ASN A 32 1.097 -11.180 5.208 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.283 -13.552 6.432 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.175 -12.478 8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.265 -11.802 7.729 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.310 -10.858 9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.491 -9.216 8.831 1.00 0.00 H new ATOM 508 N MET A 33 -1.638 -11.399 4.643 1.00 0.00 N ATOM 509 CA MET A 33 -2.937 -10.889 4.127 1.00 0.00 C ATOM 510 C MET A 33 -3.662 -12.000 3.372 1.00 0.00 C ATOM 511 O MET A 33 -3.087 -13.012 3.021 1.00 0.00 O ATOM 512 CB MET A 33 -2.709 -9.706 3.181 1.00 0.00 C ATOM 513 CG MET A 33 -2.772 -8.398 3.970 1.00 0.00 C ATOM 514 SD MET A 33 -3.424 -7.087 2.908 1.00 0.00 S ATOM 515 CE MET A 33 -5.113 -7.726 2.766 1.00 0.00 C ATOM 0 H MET A 33 -0.843 -11.281 4.014 1.00 0.00 H new ATOM 0 HA MET A 33 -3.541 -10.560 4.972 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.740 -9.801 2.691 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.464 -9.705 2.395 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.407 -8.520 4.847 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.779 -8.129 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.589 -7.303 1.881 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.085 -8.812 2.679 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.683 -7.448 3.652 1.00 0.00 H new ATOM 525 N GLN A 34 -4.923 -11.810 3.117 1.00 0.00 N ATOM 526 CA GLN A 34 -5.712 -12.832 2.383 1.00 0.00 C ATOM 527 C GLN A 34 -6.379 -12.153 1.190 1.00 0.00 C ATOM 528 O GLN A 34 -6.631 -10.964 1.223 1.00 0.00 O ATOM 529 CB GLN A 34 -6.782 -13.410 3.310 1.00 0.00 C ATOM 530 CG GLN A 34 -6.134 -13.858 4.621 1.00 0.00 C ATOM 531 CD GLN A 34 -5.319 -15.131 4.381 1.00 0.00 C ATOM 532 OE1 GLN A 34 -5.455 -15.769 3.356 1.00 0.00 O ATOM 533 NE2 GLN A 34 -4.471 -15.530 5.291 1.00 0.00 N ATOM 0 H GLN A 34 -5.447 -10.979 3.390 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.064 -13.640 2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.549 -12.661 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.277 -14.254 2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.489 -13.069 5.008 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.901 -14.041 5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.357 -14.994 6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.923 -16.377 5.141 1.00 0.00 H new ATOM 542 N PRO A 35 -6.646 -12.916 0.168 1.00 0.00 N ATOM 543 CA PRO A 35 -7.282 -12.389 -1.046 1.00 0.00 C ATOM 544 C PRO A 35 -8.736 -12.039 -0.746 1.00 0.00 C ATOM 545 O PRO A 35 -9.509 -12.851 -0.278 1.00 0.00 O ATOM 546 CB PRO A 35 -7.150 -13.528 -2.057 1.00 0.00 C ATOM 547 CG PRO A 35 -6.936 -14.817 -1.229 1.00 0.00 C ATOM 548 CD PRO A 35 -6.368 -14.366 0.133 1.00 0.00 C ATOM 0 HA PRO A 35 -6.828 -11.473 -1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.045 -13.606 -2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.311 -13.355 -2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.874 -15.357 -1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.246 -15.493 -1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.851 -14.886 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.300 -14.571 0.209 1.00 0.00 H new ATOM 556 N GLY A 36 -9.085 -10.810 -0.973 1.00 0.00 N ATOM 557 CA GLY A 36 -10.456 -10.340 -0.668 1.00 0.00 C ATOM 558 C GLY A 36 -10.354 -9.442 0.561 1.00 0.00 C ATOM 559 O GLY A 36 -11.316 -9.225 1.273 1.00 0.00 O ATOM 0 H GLY A 36 -8.467 -10.099 -1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.873 -9.792 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.119 -11.183 -0.476 1.00 0.00 H new ATOM 563 N GLU A 37 -9.175 -8.930 0.823 1.00 0.00 N ATOM 564 CA GLU A 37 -8.984 -8.057 2.013 1.00 0.00 C ATOM 565 C GLU A 37 -8.457 -6.694 1.569 1.00 0.00 C ATOM 566 O GLU A 37 -8.336 -6.423 0.393 1.00 0.00 O ATOM 567 CB GLU A 37 -7.971 -8.710 2.952 1.00 0.00 C ATOM 568 CG GLU A 37 -8.700 -9.609 3.951 1.00 0.00 C ATOM 569 CD GLU A 37 -9.360 -10.771 3.205 1.00 0.00 C ATOM 570 OE1 GLU A 37 -8.843 -11.150 2.166 1.00 0.00 O ATOM 571 OE2 GLU A 37 -10.369 -11.261 3.684 1.00 0.00 O ATOM 0 H GLU A 37 -8.338 -9.082 0.260 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.936 -7.925 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.253 -9.295 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.406 -7.944 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.998 -9.991 4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.453 -9.035 4.491 1.00 0.00 H new ATOM 578 N THR A 38 -8.142 -5.832 2.500 1.00 0.00 N ATOM 579 CA THR A 38 -7.624 -4.489 2.118 1.00 0.00 C ATOM 580 C THR A 38 -6.459 -4.095 3.027 1.00 0.00 C ATOM 581 O THR A 38 -6.321 -4.582 4.132 1.00 0.00 O ATOM 582 CB THR A 38 -8.745 -3.458 2.237 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.628 -3.838 3.283 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.510 -3.394 0.916 1.00 0.00 C ATOM 0 H THR A 38 -8.221 -6.000 3.503 1.00 0.00 H new ATOM 0 HA THR A 38 -7.269 -4.523 1.088 1.00 0.00 H new ATOM 0 HB THR A 38 -8.322 -2.479 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.208 -4.536 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.312 -2.660 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.830 -3.104 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.935 -4.373 0.694 1.00 0.00 H new ATOM 592 N LEU A 39 -5.615 -3.220 2.555 1.00 0.00 N ATOM 593 CA LEU A 39 -4.442 -2.782 3.362 1.00 0.00 C ATOM 594 C LEU A 39 -4.158 -1.305 3.065 1.00 0.00 C ATOM 595 O LEU A 39 -3.831 -0.942 1.954 1.00 0.00 O ATOM 596 CB LEU A 39 -3.228 -3.623 2.953 1.00 0.00 C ATOM 597 CG LEU A 39 -1.945 -3.027 3.540 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.675 -3.644 4.909 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.772 -3.335 2.606 1.00 0.00 C ATOM 0 H LEU A 39 -5.689 -2.785 1.635 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.644 -2.910 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.353 -4.648 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.154 -3.663 1.866 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.060 -1.948 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.762 -3.219 5.326 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.511 -3.431 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.559 -4.723 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.143 -2.912 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.660 -4.415 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.963 -2.897 1.626 1.00 0.00 H new ATOM 611 N LEU A 40 -4.255 -0.451 4.047 1.00 0.00 N ATOM 612 CA LEU A 40 -3.964 0.986 3.803 1.00 0.00 C ATOM 613 C LEU A 40 -2.463 1.182 3.976 1.00 0.00 C ATOM 614 O LEU A 40 -1.837 0.527 4.782 1.00 0.00 O ATOM 615 CB LEU A 40 -4.718 1.851 4.816 1.00 0.00 C ATOM 616 CG LEU A 40 -4.155 3.273 4.789 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.482 3.925 3.444 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.784 4.093 5.918 1.00 0.00 C ATOM 0 H LEU A 40 -4.522 -0.687 5.003 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.280 1.277 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.782 1.865 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.620 1.428 5.816 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.074 3.238 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.081 4.938 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.035 3.342 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.563 3.960 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.383 5.106 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.865 4.128 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.553 3.629 6.877 1.00 0.00 H new ATOM 630 N ILE A 41 -1.868 2.042 3.205 1.00 0.00 N ATOM 631 CA ILE A 41 -0.398 2.223 3.318 1.00 0.00 C ATOM 632 C ILE A 41 -0.019 3.694 3.198 1.00 0.00 C ATOM 633 O ILE A 41 -0.306 4.332 2.207 1.00 0.00 O ATOM 634 CB ILE A 41 0.263 1.452 2.179 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.458 0.103 2.007 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.745 1.244 2.500 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.437 -0.889 1.260 1.00 0.00 C ATOM 0 H ILE A 41 -2.331 2.624 2.506 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.066 1.858 4.290 1.00 0.00 H new ATOM 0 HB ILE A 41 0.189 2.012 1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.724 -0.301 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.388 0.248 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.219 0.693 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.232 2.212 2.615 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.841 0.678 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.087 -1.838 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.681 -0.489 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.356 -1.047 1.825 1.00 0.00 H new ATOM 649 N ILE A 42 0.668 4.237 4.168 1.00 0.00 N ATOM 650 CA ILE A 42 1.088 5.643 4.045 1.00 0.00 C ATOM 651 C ILE A 42 2.525 5.637 3.589 1.00 0.00 C ATOM 652 O ILE A 42 3.225 4.657 3.729 1.00 0.00 O ATOM 653 CB ILE A 42 0.993 6.357 5.382 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.307 5.959 6.072 1.00 0.00 C ATOM 655 CG2 ILE A 42 1.016 7.874 5.143 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.674 7.035 7.083 1.00 0.00 C ATOM 0 H ILE A 42 0.949 3.765 5.028 1.00 0.00 H new ATOM 0 HA ILE A 42 0.442 6.165 3.339 1.00 0.00 H new ATOM 0 HB ILE A 42 1.835 6.078 6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.104 5.843 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.191 4.997 6.570 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.948 8.394 6.099 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.946 8.150 4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.171 8.156 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.603 6.762 7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.123 7.128 7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.805 7.987 6.569 1.00 0.00 H new ATOM 668 N ALA A 43 2.974 6.708 3.049 1.00 0.00 N ATOM 669 CA ALA A 43 4.372 6.746 2.587 1.00 0.00 C ATOM 670 C ALA A 43 4.783 8.187 2.385 1.00 0.00 C ATOM 671 O ALA A 43 4.166 8.916 1.646 1.00 0.00 O ATOM 672 CB ALA A 43 4.496 5.989 1.264 1.00 0.00 C ATOM 0 H ALA A 43 2.438 7.564 2.904 1.00 0.00 H new ATOM 0 HA ALA A 43 5.018 6.278 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.531 6.018 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.190 4.953 1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.855 6.456 0.516 1.00 0.00 H new ATOM 678 N ASP A 44 5.851 8.591 2.980 1.00 0.00 N ATOM 679 CA ASP A 44 6.315 9.968 2.748 1.00 0.00 C ATOM 680 C ASP A 44 7.455 9.836 1.770 1.00 0.00 C ATOM 681 O ASP A 44 7.755 10.733 1.007 1.00 0.00 O ATOM 682 CB ASP A 44 6.764 10.652 4.045 1.00 0.00 C ATOM 683 CG ASP A 44 8.016 9.992 4.616 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.885 9.626 3.843 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.090 9.871 5.827 1.00 0.00 O ATOM 0 H ASP A 44 6.422 8.032 3.614 1.00 0.00 H new ATOM 0 HA ASP A 44 5.514 10.598 2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.962 11.707 3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.960 10.607 4.779 1.00 0.00 H new ATOM 690 N ASP A 45 8.070 8.680 1.755 1.00 0.00 N ATOM 691 CA ASP A 45 9.157 8.459 0.783 1.00 0.00 C ATOM 692 C ASP A 45 8.560 8.591 -0.626 1.00 0.00 C ATOM 693 O ASP A 45 7.440 8.181 -0.858 1.00 0.00 O ATOM 694 CB ASP A 45 9.701 7.070 1.025 1.00 0.00 C ATOM 695 CG ASP A 45 10.363 6.509 -0.237 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.514 6.838 -0.475 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.713 5.753 -0.937 1.00 0.00 O ATOM 0 H ASP A 45 7.862 7.894 2.371 1.00 0.00 H new ATOM 0 HA ASP A 45 9.967 9.181 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.426 7.097 1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.893 6.409 1.340 1.00 0.00 H new ATOM 702 N PRO A 46 9.310 9.183 -1.517 1.00 0.00 N ATOM 703 CA PRO A 46 8.861 9.412 -2.902 1.00 0.00 C ATOM 704 C PRO A 46 8.972 8.127 -3.718 1.00 0.00 C ATOM 705 O PRO A 46 8.363 7.978 -4.758 1.00 0.00 O ATOM 706 CB PRO A 46 9.836 10.471 -3.422 1.00 0.00 C ATOM 707 CG PRO A 46 11.098 10.379 -2.531 1.00 0.00 C ATOM 708 CD PRO A 46 10.673 9.668 -1.234 1.00 0.00 C ATOM 0 HA PRO A 46 7.819 9.726 -2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.085 10.290 -4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.394 11.466 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.888 9.823 -3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.493 11.372 -2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.346 8.846 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.684 10.350 -0.384 1.00 0.00 H new ATOM 716 N ALA A 47 9.754 7.204 -3.250 1.00 0.00 N ATOM 717 CA ALA A 47 9.923 5.920 -3.991 1.00 0.00 C ATOM 718 C ALA A 47 8.853 4.919 -3.556 1.00 0.00 C ATOM 719 O ALA A 47 8.772 3.823 -4.076 1.00 0.00 O ATOM 720 CB ALA A 47 11.311 5.343 -3.706 1.00 0.00 C ATOM 0 H ALA A 47 10.288 7.278 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 47 9.819 6.109 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.433 4.405 -4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.073 6.052 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.417 5.161 -2.637 1.00 0.00 H new ATOM 726 N THR A 48 8.031 5.277 -2.612 1.00 0.00 N ATOM 727 CA THR A 48 6.971 4.336 -2.159 1.00 0.00 C ATOM 728 C THR A 48 5.729 4.529 -3.023 1.00 0.00 C ATOM 729 O THR A 48 5.079 3.583 -3.419 1.00 0.00 O ATOM 730 CB THR A 48 6.619 4.624 -0.699 1.00 0.00 C ATOM 731 OG1 THR A 48 6.552 6.029 -0.499 1.00 0.00 O ATOM 732 CG2 THR A 48 7.690 4.027 0.209 1.00 0.00 C ATOM 0 H THR A 48 8.047 6.178 -2.135 1.00 0.00 H new ATOM 0 HA THR A 48 7.330 3.311 -2.250 1.00 0.00 H new ATOM 0 HB THR A 48 5.654 4.178 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.459 6.394 -0.433 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.440 4.232 1.250 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.740 2.949 0.053 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.656 4.473 -0.026 1.00 0.00 H new ATOM 740 N THR A 49 5.394 5.751 -3.322 1.00 0.00 N ATOM 741 CA THR A 49 4.192 5.997 -4.165 1.00 0.00 C ATOM 742 C THR A 49 4.332 5.200 -5.454 1.00 0.00 C ATOM 743 O THR A 49 3.365 4.734 -6.021 1.00 0.00 O ATOM 744 CB THR A 49 4.078 7.483 -4.530 1.00 0.00 C ATOM 745 OG1 THR A 49 4.761 7.717 -5.754 1.00 0.00 O ATOM 746 CG2 THR A 49 4.701 8.348 -3.439 1.00 0.00 C ATOM 0 H THR A 49 5.897 6.586 -3.022 1.00 0.00 H new ATOM 0 HA THR A 49 3.305 5.696 -3.608 1.00 0.00 H new ATOM 0 HB THR A 49 3.024 7.742 -4.630 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.690 8.665 -5.992 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.612 9.399 -3.713 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.183 8.174 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.754 8.090 -3.327 1.00 0.00 H new ATOM 754 N ARG A 50 5.532 5.072 -5.941 1.00 0.00 N ATOM 755 CA ARG A 50 5.733 4.335 -7.223 1.00 0.00 C ATOM 756 C ARG A 50 6.133 2.874 -6.991 1.00 0.00 C ATOM 757 O ARG A 50 5.755 1.996 -7.741 1.00 0.00 O ATOM 758 CB ARG A 50 6.837 5.024 -8.020 1.00 0.00 C ATOM 759 CG ARG A 50 6.295 6.311 -8.643 1.00 0.00 C ATOM 760 CD ARG A 50 6.431 6.238 -10.165 1.00 0.00 C ATOM 761 NE ARG A 50 6.482 7.617 -10.726 1.00 0.00 N ATOM 762 CZ ARG A 50 7.630 8.148 -11.051 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.464 8.519 -10.119 1.00 0.00 N ATOM 764 NH2 ARG A 50 7.942 8.310 -12.308 1.00 0.00 N ATOM 0 H ARG A 50 6.380 5.442 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 50 4.788 4.344 -7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.681 5.251 -7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.206 4.358 -8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.250 6.449 -8.367 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.842 7.172 -8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.334 5.691 -10.434 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.589 5.692 -10.590 1.00 0.00 H new ATOM 0 HE ARG A 50 5.620 8.147 -10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.219 8.394 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.361 8.934 -10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.289 8.022 -13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.839 8.725 -12.562 1.00 0.00 H new ATOM 778 N ASP A 51 6.934 2.610 -6.003 1.00 0.00 N ATOM 779 CA ASP A 51 7.401 1.207 -5.782 1.00 0.00 C ATOM 780 C ASP A 51 6.421 0.384 -4.939 1.00 0.00 C ATOM 781 O ASP A 51 6.129 -0.749 -5.261 1.00 0.00 O ATOM 782 CB ASP A 51 8.755 1.248 -5.072 1.00 0.00 C ATOM 783 CG ASP A 51 9.751 2.040 -5.919 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.329 2.623 -6.904 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.920 2.051 -5.569 1.00 0.00 O ATOM 0 H ASP A 51 7.288 3.298 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 51 7.476 0.725 -6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.649 1.709 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.124 0.235 -4.910 1.00 0.00 H new ATOM 790 N ILE A 52 5.937 0.912 -3.855 1.00 0.00 N ATOM 791 CA ILE A 52 5.009 0.113 -2.999 1.00 0.00 C ATOM 792 C ILE A 52 3.853 -0.456 -3.821 1.00 0.00 C ATOM 793 O ILE A 52 3.566 -1.632 -3.727 1.00 0.00 O ATOM 794 CB ILE A 52 4.492 0.982 -1.842 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.422 0.802 -0.641 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.063 0.583 -1.449 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.757 1.362 0.619 1.00 0.00 C ATOM 0 H ILE A 52 6.138 1.855 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 52 5.557 -0.733 -2.583 1.00 0.00 H new ATOM 0 HB ILE A 52 4.477 2.024 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.652 -0.254 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.368 1.313 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.722 1.214 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.401 0.712 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.050 -0.461 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.424 1.231 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.550 2.423 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.823 0.831 0.804 1.00 0.00 H new ATOM 809 N PRO A 53 3.220 0.370 -4.595 1.00 0.00 N ATOM 810 CA PRO A 53 2.098 -0.076 -5.421 1.00 0.00 C ATOM 811 C PRO A 53 2.605 -0.921 -6.570 1.00 0.00 C ATOM 812 O PRO A 53 2.144 -2.017 -6.785 1.00 0.00 O ATOM 813 CB PRO A 53 1.457 1.212 -5.902 1.00 0.00 C ATOM 814 CG PRO A 53 2.525 2.319 -5.761 1.00 0.00 C ATOM 815 CD PRO A 53 3.557 1.800 -4.742 1.00 0.00 C ATOM 0 HA PRO A 53 1.385 -0.701 -4.884 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.131 1.119 -6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.573 1.449 -5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.998 2.527 -6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.076 3.251 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.577 1.935 -5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.481 2.328 -3.792 1.00 0.00 H new ATOM 823 N GLY A 54 3.567 -0.445 -7.298 1.00 0.00 N ATOM 824 CA GLY A 54 4.095 -1.272 -8.409 1.00 0.00 C ATOM 825 C GLY A 54 4.383 -2.663 -7.862 1.00 0.00 C ATOM 826 O GLY A 54 4.367 -3.641 -8.583 1.00 0.00 O ATOM 0 H GLY A 54 4.006 0.468 -7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.372 -1.324 -9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.002 -0.827 -8.818 1.00 0.00 H new ATOM 830 N PHE A 55 4.622 -2.767 -6.581 1.00 0.00 N ATOM 831 CA PHE A 55 4.879 -4.105 -5.997 1.00 0.00 C ATOM 832 C PHE A 55 3.544 -4.843 -5.851 1.00 0.00 C ATOM 833 O PHE A 55 3.404 -5.970 -6.282 1.00 0.00 O ATOM 834 CB PHE A 55 5.560 -3.946 -4.629 1.00 0.00 C ATOM 835 CG PHE A 55 5.162 -5.084 -3.717 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.128 -6.395 -4.205 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.800 -4.823 -2.397 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.730 -7.440 -3.375 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.406 -5.872 -1.567 1.00 0.00 C ATOM 840 CZ PHE A 55 4.369 -7.180 -2.055 1.00 0.00 C ATOM 0 H PHE A 55 4.649 -1.988 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 55 5.539 -4.681 -6.646 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.643 -3.930 -4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.276 -2.994 -4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.411 -6.597 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.824 -3.812 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.701 -8.451 -3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.128 -5.672 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.061 -7.989 -1.410 1.00 0.00 H new ATOM 850 N CYS A 56 2.566 -4.236 -5.236 1.00 0.00 N ATOM 851 CA CYS A 56 1.270 -4.941 -5.074 1.00 0.00 C ATOM 852 C CYS A 56 0.787 -5.432 -6.434 1.00 0.00 C ATOM 853 O CYS A 56 0.261 -6.513 -6.557 1.00 0.00 O ATOM 854 CB CYS A 56 0.247 -3.988 -4.470 1.00 0.00 C ATOM 855 SG CYS A 56 0.539 -3.872 -2.688 1.00 0.00 S ATOM 0 H CYS A 56 2.609 -3.295 -4.845 1.00 0.00 H new ATOM 0 HA CYS A 56 1.397 -5.796 -4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.330 -3.004 -4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.764 -4.347 -4.664 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.294 -4.647 -2.060 1.00 0.00 H new ATOM 861 N THR A 57 0.971 -4.654 -7.460 1.00 0.00 N ATOM 862 CA THR A 57 0.519 -5.095 -8.811 1.00 0.00 C ATOM 863 C THR A 57 1.263 -6.373 -9.207 1.00 0.00 C ATOM 864 O THR A 57 0.728 -7.237 -9.871 1.00 0.00 O ATOM 865 CB THR A 57 0.819 -3.997 -9.833 1.00 0.00 C ATOM 866 OG1 THR A 57 0.264 -2.770 -9.384 1.00 0.00 O ATOM 867 CG2 THR A 57 0.205 -4.378 -11.180 1.00 0.00 C ATOM 0 H THR A 57 1.413 -3.735 -7.425 1.00 0.00 H new ATOM 0 HA THR A 57 -0.553 -5.289 -8.788 1.00 0.00 H new ATOM 0 HB THR A 57 1.897 -3.885 -9.946 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.457 -2.065 -10.037 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.417 -3.597 -11.910 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.633 -5.320 -11.521 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.874 -4.488 -11.070 1.00 0.00 H new ATOM 875 N PHE A 58 2.499 -6.488 -8.810 1.00 0.00 N ATOM 876 CA PHE A 58 3.296 -7.698 -9.165 1.00 0.00 C ATOM 877 C PHE A 58 2.725 -8.945 -8.475 1.00 0.00 C ATOM 878 O PHE A 58 2.664 -10.009 -9.060 1.00 0.00 O ATOM 879 CB PHE A 58 4.744 -7.493 -8.715 1.00 0.00 C ATOM 880 CG PHE A 58 5.668 -8.321 -9.575 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.555 -9.716 -9.584 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.640 -7.693 -10.363 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.413 -10.484 -10.380 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.498 -8.461 -11.160 1.00 0.00 C ATOM 885 CZ PHE A 58 7.385 -9.856 -11.168 1.00 0.00 C ATOM 0 H PHE A 58 2.995 -5.793 -8.252 1.00 0.00 H new ATOM 0 HA PHE A 58 3.252 -7.844 -10.244 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.011 -6.439 -8.788 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.853 -7.778 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.805 -10.200 -8.976 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.728 -6.617 -10.356 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.325 -11.560 -10.386 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.247 -7.977 -11.769 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.048 -10.448 -11.782 1.00 0.00 H new ATOM 895 N MET A 59 2.328 -8.836 -7.235 1.00 0.00 N ATOM 896 CA MET A 59 1.790 -10.038 -6.524 1.00 0.00 C ATOM 897 C MET A 59 0.327 -10.308 -6.894 1.00 0.00 C ATOM 898 O MET A 59 -0.295 -11.197 -6.351 1.00 0.00 O ATOM 899 CB MET A 59 1.907 -9.849 -5.020 1.00 0.00 C ATOM 900 CG MET A 59 3.232 -10.431 -4.524 1.00 0.00 C ATOM 901 SD MET A 59 2.988 -12.156 -4.025 1.00 0.00 S ATOM 902 CE MET A 59 2.790 -12.859 -5.680 1.00 0.00 C ATOM 0 H MET A 59 2.351 -7.977 -6.686 1.00 0.00 H new ATOM 0 HA MET A 59 2.383 -10.898 -6.836 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.850 -8.789 -4.772 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.073 -10.339 -4.517 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.984 -10.372 -5.311 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.605 -9.847 -3.682 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.014 -13.925 -5.652 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.764 -12.713 -6.017 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.472 -12.363 -6.370 1.00 0.00 H new ATOM 912 N GLU A 60 -0.223 -9.562 -7.815 1.00 0.00 N ATOM 913 CA GLU A 60 -1.645 -9.792 -8.229 1.00 0.00 C ATOM 914 C GLU A 60 -2.609 -9.117 -7.246 1.00 0.00 C ATOM 915 O GLU A 60 -3.757 -9.496 -7.130 1.00 0.00 O ATOM 916 CB GLU A 60 -1.946 -11.295 -8.283 1.00 0.00 C ATOM 917 CG GLU A 60 -0.779 -12.035 -8.942 1.00 0.00 C ATOM 918 CD GLU A 60 -1.163 -12.422 -10.371 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.163 -11.548 -11.222 1.00 0.00 O ATOM 920 OE2 GLU A 60 -1.451 -13.588 -10.591 1.00 0.00 O ATOM 0 H GLU A 60 0.250 -8.800 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.784 -9.358 -9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.109 -11.679 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.864 -11.471 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.108 -11.402 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.529 -12.927 -8.367 1.00 0.00 H new ATOM 927 N HIS A 61 -2.155 -8.116 -6.548 1.00 0.00 N ATOM 928 CA HIS A 61 -3.034 -7.405 -5.590 1.00 0.00 C ATOM 929 C HIS A 61 -3.618 -6.179 -6.285 1.00 0.00 C ATOM 930 O HIS A 61 -3.271 -5.874 -7.408 1.00 0.00 O ATOM 931 CB HIS A 61 -2.203 -6.974 -4.388 1.00 0.00 C ATOM 932 CG HIS A 61 -1.492 -8.175 -3.845 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.833 -9.458 -4.233 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.455 -8.312 -2.958 1.00 0.00 C ATOM 935 CE1 HIS A 61 -1.016 -10.306 -3.592 1.00 0.00 C ATOM 936 NE2 HIS A 61 -0.156 -9.662 -2.798 1.00 0.00 N ATOM 0 H HIS A 61 -1.201 -7.758 -6.603 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.843 -8.054 -5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.484 -6.208 -4.680 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.843 -6.535 -3.623 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.572 -9.713 -4.888 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.051 -7.498 -2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.049 -11.380 -3.704 1.00 0.00 H new ATOM 944 N GLU A 62 -4.519 -5.485 -5.652 1.00 0.00 N ATOM 945 CA GLU A 62 -5.126 -4.305 -6.322 1.00 0.00 C ATOM 946 C GLU A 62 -4.952 -3.040 -5.499 1.00 0.00 C ATOM 947 O GLU A 62 -5.073 -3.043 -4.296 1.00 0.00 O ATOM 948 CB GLU A 62 -6.618 -4.543 -6.501 1.00 0.00 C ATOM 949 CG GLU A 62 -6.882 -5.193 -7.860 1.00 0.00 C ATOM 950 CD GLU A 62 -8.109 -6.102 -7.763 1.00 0.00 C ATOM 951 OE1 GLU A 62 -8.548 -6.355 -6.654 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.590 -6.528 -8.800 1.00 0.00 O ATOM 0 H GLU A 62 -4.858 -5.680 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.624 -4.176 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.991 -5.185 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.157 -3.598 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.044 -4.425 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.012 -5.771 -8.173 1.00 0.00 H new ATOM 959 N LEU A 63 -4.749 -1.947 -6.167 1.00 0.00 N ATOM 960 CA LEU A 63 -4.651 -0.642 -5.463 1.00 0.00 C ATOM 961 C LEU A 63 -6.093 -0.183 -5.279 1.00 0.00 C ATOM 962 O LEU A 63 -6.733 0.250 -6.216 1.00 0.00 O ATOM 963 CB LEU A 63 -3.859 0.351 -6.337 1.00 0.00 C ATOM 964 CG LEU A 63 -4.309 1.796 -6.081 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.765 2.283 -4.738 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.766 2.693 -7.198 1.00 0.00 C ATOM 0 H LEU A 63 -4.645 -1.899 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.133 -0.712 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.794 0.256 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.999 0.105 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.398 1.837 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.089 3.309 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.142 1.644 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.676 2.244 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.081 3.722 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.677 2.644 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.153 2.353 -8.158 1.00 0.00 H new ATOM 978 N VAL A 64 -6.641 -0.329 -4.107 1.00 0.00 N ATOM 979 CA VAL A 64 -8.045 0.037 -3.921 1.00 0.00 C ATOM 980 C VAL A 64 -8.221 1.563 -3.979 1.00 0.00 C ATOM 981 O VAL A 64 -9.088 2.052 -4.674 1.00 0.00 O ATOM 982 CB VAL A 64 -8.490 -0.561 -2.597 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.868 -0.062 -2.261 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.552 -2.080 -2.727 1.00 0.00 C ATOM 0 H VAL A 64 -6.167 -0.687 -3.278 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.671 -0.358 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.784 -0.274 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.189 -0.490 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.852 1.025 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.564 -0.358 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.871 -2.514 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.264 -2.350 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.566 -2.463 -2.988 1.00 0.00 H new ATOM 994 N ALA A 65 -7.419 2.333 -3.285 1.00 0.00 N ATOM 995 CA ALA A 65 -7.602 3.820 -3.376 1.00 0.00 C ATOM 996 C ALA A 65 -6.257 4.546 -3.213 1.00 0.00 C ATOM 997 O ALA A 65 -5.507 4.285 -2.324 1.00 0.00 O ATOM 998 CB ALA A 65 -8.561 4.279 -2.276 1.00 0.00 C ATOM 0 H ALA A 65 -6.666 2.012 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.012 4.062 -4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.697 5.359 -2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.524 3.784 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.147 4.021 -1.301 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.919 5.455 -4.067 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.620 6.133 -3.892 1.00 0.00 C ATOM 1006 C LYS A 66 -4.805 7.479 -3.218 1.00 0.00 C ATOM 1007 O LYS A 66 -5.877 8.050 -3.197 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.986 6.359 -5.241 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.380 5.228 -6.162 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.637 5.608 -6.950 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.246 6.010 -8.373 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.038 7.203 -8.786 1.00 0.00 N ATOM 0 H LYS A 66 -6.476 5.755 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.985 5.502 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.311 7.313 -5.655 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.901 6.406 -5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.563 5.006 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.564 4.323 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.331 4.768 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.153 6.432 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.180 6.234 -8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.429 5.183 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.773 7.478 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.052 6.974 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.842 7.991 -8.137 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.744 7.985 -2.681 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.792 9.301 -2.008 1.00 0.00 C ATOM 1028 C GLU A 67 -2.536 10.099 -2.363 1.00 0.00 C ATOM 1029 O GLU A 67 -1.439 9.766 -1.964 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.860 9.085 -0.510 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.321 9.024 -0.061 1.00 0.00 C ATOM 1032 CD GLU A 67 -6.034 10.316 -0.465 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.834 11.315 0.206 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.768 10.284 -1.439 1.00 0.00 O ATOM 0 H GLU A 67 -2.828 7.536 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.671 9.856 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.349 8.160 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.345 9.894 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.816 8.166 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.375 8.889 1.019 1.00 0.00 H new ATOM 1041 N THR A 68 -2.693 11.151 -3.113 1.00 0.00 N ATOM 1042 CA THR A 68 -1.520 11.983 -3.503 1.00 0.00 C ATOM 1043 C THR A 68 -1.911 13.451 -3.366 1.00 0.00 C ATOM 1044 O THR A 68 -1.463 14.301 -4.110 1.00 0.00 O ATOM 1045 CB THR A 68 -1.142 11.683 -4.955 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.075 12.308 -5.825 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.160 10.171 -5.184 1.00 0.00 C ATOM 0 H THR A 68 -3.590 11.474 -3.476 1.00 0.00 H new ATOM 0 HA THR A 68 -0.666 11.760 -2.863 1.00 0.00 H new ATOM 0 HB THR A 68 -0.143 12.068 -5.159 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.833 12.118 -6.755 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.891 9.956 -6.218 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.443 9.693 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.159 9.784 -4.981 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.755 13.752 -2.415 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.189 15.168 -2.223 1.00 0.00 C ATOM 1057 C ASP A 69 -2.101 15.954 -1.498 1.00 0.00 C ATOM 1058 O ASP A 69 -2.268 17.109 -1.158 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.470 15.196 -1.393 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.548 14.360 -2.085 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.338 13.168 -2.238 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.567 14.927 -2.448 1.00 0.00 O ATOM 0 H ASP A 69 -3.162 13.081 -1.764 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.369 15.622 -3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.277 14.804 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.814 16.223 -1.271 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.993 15.332 -1.263 1.00 0.00 N ATOM 1068 CA GLY A 70 0.120 16.001 -0.569 1.00 0.00 C ATOM 1069 C GLY A 70 0.646 15.082 0.512 1.00 0.00 C ATOM 1070 O GLY A 70 -0.080 14.596 1.356 1.00 0.00 O ATOM 0 H GLY A 70 -0.809 14.365 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.913 16.244 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.218 16.941 -0.133 1.00 0.00 H new ATOM 1074 N LEU A 71 1.903 14.844 0.459 1.00 0.00 N ATOM 1075 CA LEU A 71 2.561 13.947 1.442 1.00 0.00 C ATOM 1076 C LEU A 71 1.925 14.104 2.832 1.00 0.00 C ATOM 1077 O LEU A 71 1.494 15.176 3.208 1.00 0.00 O ATOM 1078 CB LEU A 71 4.048 14.283 1.540 1.00 0.00 C ATOM 1079 CG LEU A 71 4.740 13.931 0.234 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.915 14.881 -0.001 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.253 12.493 0.311 1.00 0.00 C ATOM 0 H LEU A 71 2.531 15.240 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 71 2.432 12.919 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.178 15.343 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.502 13.731 2.363 1.00 0.00 H new ATOM 0 HG LEU A 71 4.033 14.027 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.408 14.625 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.549 15.907 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.626 14.790 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.751 12.234 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.960 12.402 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.415 11.816 0.475 1.00 0.00 H new ATOM 1093 N PRO A 72 1.909 13.012 3.548 1.00 0.00 N ATOM 1094 CA PRO A 72 2.442 11.742 3.046 1.00 0.00 C ATOM 1095 C PRO A 72 1.394 11.081 2.153 1.00 0.00 C ATOM 1096 O PRO A 72 0.205 11.225 2.354 1.00 0.00 O ATOM 1097 CB PRO A 72 2.652 10.909 4.294 1.00 0.00 C ATOM 1098 CG PRO A 72 1.682 11.484 5.343 1.00 0.00 C ATOM 1099 CD PRO A 72 1.375 12.936 4.917 1.00 0.00 C ATOM 0 HA PRO A 72 3.356 11.859 2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.443 9.856 4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.684 10.972 4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.767 10.893 5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.128 11.459 6.337 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.305 13.144 4.943 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.856 13.658 5.576 1.00 0.00 H new ATOM 1107 N TYR A 73 1.829 10.358 1.180 1.00 0.00 N ATOM 1108 CA TYR A 73 0.878 9.671 0.263 1.00 0.00 C ATOM 1109 C TYR A 73 0.199 8.516 0.974 1.00 0.00 C ATOM 1110 O TYR A 73 0.663 8.043 1.988 1.00 0.00 O ATOM 1111 CB TYR A 73 1.619 9.043 -0.890 1.00 0.00 C ATOM 1112 CG TYR A 73 2.724 9.921 -1.362 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.464 11.040 -2.152 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.021 9.570 -1.038 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.524 11.822 -2.613 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.091 10.331 -1.498 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.846 11.468 -2.289 1.00 0.00 C ATOM 1118 OH TYR A 73 5.899 12.229 -2.750 1.00 0.00 O ATOM 0 H TYR A 73 2.815 10.205 0.970 1.00 0.00 H new ATOM 0 HA TYR A 73 0.163 10.422 -0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.023 8.078 -0.584 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.927 8.853 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.447 11.300 -2.406 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.205 8.700 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.330 12.696 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.104 10.050 -1.249 1.00 0.00 H new ATOM 0 HH TYR A 73 6.733 11.913 -2.344 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.854 8.003 0.404 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.509 6.833 0.997 1.00 0.00 C ATOM 1130 C ARG A 74 -2.081 6.017 -0.129 1.00 0.00 C ATOM 1131 O ARG A 74 -2.417 6.528 -1.162 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.600 7.251 1.954 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.975 7.481 3.315 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.748 8.562 4.072 1.00 0.00 C ATOM 1135 NE ARG A 74 -2.651 9.851 3.331 1.00 0.00 N ATOM 1136 CZ ARG A 74 -3.516 10.801 3.562 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -3.662 11.270 4.770 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -4.235 11.281 2.584 1.00 0.00 N ATOM 0 H ARG A 74 -1.283 8.354 -0.452 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.788 6.248 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.087 8.160 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.368 6.480 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.978 6.553 3.887 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.933 7.781 3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.793 8.270 4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.344 8.677 5.078 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.910 9.991 2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.100 10.895 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.338 12.012 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.121 10.914 1.639 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.911 12.023 2.765 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.186 4.757 0.056 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.722 3.916 -1.027 1.00 0.00 C ATOM 1154 C TYR A 75 -3.360 2.693 -0.424 1.00 0.00 C ATOM 1155 O TYR A 75 -2.724 1.950 0.297 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.609 3.455 -1.952 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.486 4.452 -1.972 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.596 5.655 -2.670 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.687 4.130 -1.322 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.490 6.537 -2.719 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.776 5.008 -1.351 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.679 6.212 -2.057 1.00 0.00 C ATOM 1163 OH TYR A 75 2.759 7.068 -2.113 1.00 0.00 O ATOM 0 H TYR A 75 -1.925 4.264 0.910 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.446 4.502 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.235 2.485 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.000 3.321 -2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.519 5.906 -3.172 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.765 3.195 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.410 7.465 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.688 4.757 -0.830 1.00 0.00 H new ATOM 0 HH TYR A 75 3.486 6.714 -1.559 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.587 2.435 -0.722 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.178 1.240 -0.172 1.00 0.00 C ATOM 1175 C LEU A 76 -4.879 0.125 -1.156 1.00 0.00 C ATOM 1176 O LEU A 76 -4.736 0.378 -2.335 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.677 1.351 -0.061 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.190 0.046 0.511 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.888 -0.012 2.007 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.676 -0.035 0.259 1.00 0.00 C ATOM 0 H LEU A 76 -5.190 3.002 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.774 1.066 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.953 2.186 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.121 1.542 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.697 -0.801 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.258 -0.952 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.811 0.053 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.379 0.821 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.063 -0.970 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.174 0.805 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.866 0.001 -0.814 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.793 -1.090 -0.728 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.517 -2.153 -1.705 1.00 0.00 C ATOM 1194 C ILE A 77 -5.274 -3.423 -1.330 1.00 0.00 C ATOM 1195 O ILE A 77 -4.940 -4.093 -0.373 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.018 -2.409 -1.703 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.298 -1.065 -1.883 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.658 -3.371 -2.837 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.876 -1.278 -2.409 1.00 0.00 C ATOM 0 H ILE A 77 -4.900 -1.389 0.241 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.846 -1.850 -2.699 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.710 -2.863 -0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.857 -0.437 -2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.263 -0.535 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.583 -3.552 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.186 -4.314 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.948 -2.933 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.384 -0.313 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.313 -1.886 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.917 -1.787 -3.372 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.294 -3.767 -2.074 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.050 -5.004 -1.733 1.00 0.00 C ATOM 1213 C ARG A 78 -6.187 -6.226 -2.073 1.00 0.00 C ATOM 1214 O ARG A 78 -5.972 -6.548 -3.223 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.349 -5.050 -2.544 1.00 0.00 C ATOM 1216 CG ARG A 78 -8.954 -6.455 -2.470 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.135 -6.553 -3.437 1.00 0.00 C ATOM 1218 NE ARG A 78 -10.019 -7.803 -4.238 1.00 0.00 N ATOM 1219 CZ ARG A 78 -10.982 -8.683 -4.221 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -12.225 -8.289 -4.160 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -10.704 -9.957 -4.263 1.00 0.00 N ATOM 0 H ARG A 78 -6.630 -3.254 -2.889 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.291 -5.008 -0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.057 -4.318 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.151 -4.783 -3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.200 -7.201 -2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.284 -6.667 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.074 -6.549 -2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.151 -5.686 -4.097 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.185 -7.971 -4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.443 -7.293 -4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.978 -8.977 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.733 -10.266 -4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.458 -10.644 -4.250 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.693 -6.909 -1.071 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.844 -8.111 -1.326 1.00 0.00 C ATOM 1237 C LYS A 79 -5.651 -9.119 -2.126 1.00 0.00 C ATOM 1238 O LYS A 79 -6.812 -9.337 -1.856 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.430 -8.736 0.004 1.00 0.00 C ATOM 1240 CG LYS A 79 -3.277 -9.715 -0.228 1.00 0.00 C ATOM 1241 CD LYS A 79 -3.838 -11.112 -0.504 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.762 -11.972 -1.169 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.077 -12.798 -0.135 1.00 0.00 N ATOM 0 H LYS A 79 -5.842 -6.685 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.951 -7.822 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.125 -7.958 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.277 -9.255 0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.669 -9.383 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.626 -9.740 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.164 -11.575 0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.714 -11.043 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.212 -12.616 -1.925 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.039 -11.337 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.535 -13.555 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.432 -12.198 0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.786 -13.219 0.499 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.044 -9.726 -3.108 1.00 0.00 N ATOM 1258 CA GLY A 80 -5.772 -10.724 -3.940 1.00 0.00 C ATOM 1259 C GLY A 80 -4.758 -11.618 -4.655 1.00 0.00 C ATOM 1260 O GLY A 80 -3.572 -11.552 -4.402 1.00 0.00 O ATOM 0 H GLY A 80 -4.070 -9.573 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.429 -11.328 -3.314 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.404 -10.216 -4.668 1.00 0.00 H new ATOM 1264 N GLY A 81 -5.214 -12.455 -5.544 1.00 0.00 N ATOM 1265 CA GLY A 81 -4.273 -13.352 -6.272 1.00 0.00 C ATOM 1266 C GLY A 81 -5.029 -14.575 -6.792 1.00 0.00 C ATOM 1267 O GLY A 81 -5.200 -14.673 -7.997 1.00 0.00 O ATOM 1268 OXT GLY A 81 -5.425 -15.393 -5.978 1.00 0.00 O ATOM 0 H GLY A 81 -6.197 -12.557 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.813 -12.816 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.467 -13.665 -5.609 1.00 0.00 H new TER 1272 GLY A 81