USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 981 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 55 THR OG1 : rot 101:sc= 1.37 USER MOD Set 1.2: A 57 THR OG1 : rot 60:sc= 1.02 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 168:sc= 1.58 (180deg=0.469) USER MOD Set 2.2: A 52 SER OG : rot 180:sc= 0.421 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 158:sc= 1.09 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0.936 USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0139) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.00984 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 12 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.4!) USER MOD Single : A 16 THR OG1 : rot -77:sc= 1.9 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.21) USER MOD Single : A 30 MET CE :methyl -154:sc= -0.73 (180deg=-1.78!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -9:sc= 1.32 USER MOD Single : A 39 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 45 MET CE :methyl -168:sc= -0.441 (180deg=-0.62) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0.0635 (180deg=0.0454) USER MOD Single : A 68 MET CE :methyl -169:sc= -0.233 (180deg=-0.481) USER MOD Single : A 74 CYS SG : rot 79:sc= 0.39 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 172:sc= -0.0249 (180deg=-0.0433) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 120:sc= 1.82 USER MOD Single : A 109 THR OG1 : rot 100:sc= 2 USER MOD Single : A 110 GLN : amide:sc= 1.21 K(o=1.2,f=-0.16) USER MOD Single : A 118 TYR OH : rot -114:sc= 0.0669 USER MOD Single : A 124 TYR OH : rot 176:sc= 1 USER MOD Single : A 125 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.071 -2.335 -4.889 1.00 0.00 N ATOM 2 CA MET A 1 8.231 -1.114 -4.854 1.00 0.00 C ATOM 3 C MET A 1 8.491 -0.345 -3.552 1.00 0.00 C ATOM 4 O MET A 1 8.560 -0.948 -2.476 1.00 0.00 O ATOM 5 CB MET A 1 6.735 -1.457 -5.021 1.00 0.00 C ATOM 6 CG MET A 1 5.878 -0.208 -5.263 1.00 0.00 C ATOM 7 SD MET A 1 4.104 -0.533 -5.449 1.00 0.00 S ATOM 8 CE MET A 1 3.536 1.175 -5.644 1.00 0.00 C ATOM 0 H1 MET A 1 8.505 -3.136 -5.237 1.00 0.00 H new ATOM 0 H2 MET A 1 9.880 -2.181 -5.524 1.00 0.00 H new ATOM 0 H3 MET A 1 9.417 -2.546 -3.931 1.00 0.00 H new ATOM 0 HA MET A 1 8.504 -0.476 -5.694 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.613 -2.147 -5.856 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.380 -1.972 -4.128 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.022 0.482 -4.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.238 0.295 -6.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.446 1.200 -5.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.923 1.783 -4.826 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.896 1.572 -6.593 1.00 0.00 H new ATOM 20 N ALA A 2 8.656 0.983 -3.638 1.00 0.00 N ATOM 21 CA ALA A 2 8.847 1.843 -2.468 1.00 0.00 C ATOM 22 C ALA A 2 7.586 1.881 -1.587 1.00 0.00 C ATOM 23 O ALA A 2 6.497 1.499 -2.023 1.00 0.00 O ATOM 24 CB ALA A 2 9.223 3.260 -2.926 1.00 0.00 C ATOM 0 H ALA A 2 8.660 1.489 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 2 9.656 1.430 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.365 3.899 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.147 3.223 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.424 3.666 -3.547 1.00 0.00 H new ATOM 30 N SER A 3 7.728 2.435 -0.381 1.00 0.00 N ATOM 31 CA SER A 3 6.667 2.556 0.622 1.00 0.00 C ATOM 32 C SER A 3 6.570 4.016 1.105 1.00 0.00 C ATOM 33 O SER A 3 6.377 4.294 2.290 1.00 0.00 O ATOM 34 CB SER A 3 6.932 1.560 1.764 1.00 0.00 C ATOM 35 OG SER A 3 7.146 0.240 1.276 1.00 0.00 O ATOM 0 H SER A 3 8.616 2.825 -0.065 1.00 0.00 H new ATOM 0 HA SER A 3 5.698 2.303 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.804 1.883 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.085 1.561 2.451 1.00 0.00 H new ATOM 0 HG SER A 3 7.313 -0.364 2.029 1.00 0.00 H new ATOM 41 N VAL A 4 6.813 4.959 0.188 1.00 0.00 N ATOM 42 CA VAL A 4 6.922 6.391 0.456 1.00 0.00 C ATOM 43 C VAL A 4 5.566 7.059 0.748 1.00 0.00 C ATOM 44 O VAL A 4 5.546 8.192 1.232 1.00 0.00 O ATOM 45 CB VAL A 4 7.660 7.073 -0.719 1.00 0.00 C ATOM 46 CG1 VAL A 4 9.170 6.802 -0.653 1.00 0.00 C ATOM 47 CG2 VAL A 4 7.129 6.673 -2.095 1.00 0.00 C ATOM 0 H VAL A 4 6.944 4.733 -0.798 1.00 0.00 H new ATOM 0 HA VAL A 4 7.502 6.519 1.370 1.00 0.00 H new ATOM 0 HB VAL A 4 7.468 8.139 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.665 7.293 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.569 7.192 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.350 5.728 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.696 7.191 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.236 5.596 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.076 6.946 -2.172 1.00 0.00 H new ATOM 57 N GLU A 5 4.437 6.394 0.472 1.00 0.00 N ATOM 58 CA GLU A 5 3.113 6.902 0.826 1.00 0.00 C ATOM 59 C GLU A 5 2.950 7.024 2.349 1.00 0.00 C ATOM 60 O GLU A 5 3.629 6.330 3.113 1.00 0.00 O ATOM 61 CB GLU A 5 2.003 6.036 0.198 1.00 0.00 C ATOM 62 CG GLU A 5 1.796 4.639 0.817 1.00 0.00 C ATOM 63 CD GLU A 5 3.002 3.692 0.692 1.00 0.00 C ATOM 64 OE1 GLU A 5 3.711 3.745 -0.343 1.00 0.00 O ATOM 65 OE2 GLU A 5 3.202 2.848 1.593 1.00 0.00 O ATOM 0 H GLU A 5 4.419 5.491 -0.002 1.00 0.00 H new ATOM 0 HA GLU A 5 3.017 7.906 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.063 6.583 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.224 5.911 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.553 4.757 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.934 4.171 0.342 1.00 0.00 H new ATOM 72 N ARG A 6 2.020 7.879 2.797 1.00 0.00 N ATOM 73 CA ARG A 6 1.690 8.039 4.207 1.00 0.00 C ATOM 74 C ARG A 6 1.215 6.711 4.796 1.00 0.00 C ATOM 75 O ARG A 6 1.735 6.267 5.819 1.00 0.00 O ATOM 76 CB ARG A 6 0.607 9.120 4.270 1.00 0.00 C ATOM 77 CG ARG A 6 0.128 9.473 5.679 1.00 0.00 C ATOM 78 CD ARG A 6 -0.999 10.491 5.498 1.00 0.00 C ATOM 79 NE ARG A 6 -1.522 10.976 6.788 1.00 0.00 N ATOM 80 CZ ARG A 6 -1.037 11.994 7.513 1.00 0.00 C ATOM 81 NH1 ARG A 6 0.026 12.682 7.101 1.00 0.00 N ATOM 82 NH2 ARG A 6 -1.625 12.321 8.660 1.00 0.00 N ATOM 0 H ARG A 6 1.475 8.481 2.180 1.00 0.00 H new ATOM 0 HA ARG A 6 2.555 8.337 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.989 10.024 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.250 8.789 3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.228 8.586 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.940 9.891 6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.633 11.336 4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.809 10.037 4.927 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.334 10.488 7.167 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.483 12.437 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.383 13.454 7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.439 11.798 8.983 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.262 13.094 9.217 1.00 0.00 H new ATOM 96 N ASP A 7 0.243 6.084 4.134 1.00 0.00 N ATOM 97 CA ASP A 7 -0.305 4.763 4.425 1.00 0.00 C ATOM 98 C ASP A 7 -1.142 4.366 3.203 1.00 0.00 C ATOM 99 O ASP A 7 -1.391 5.205 2.330 1.00 0.00 O ATOM 100 CB ASP A 7 -1.184 4.806 5.693 1.00 0.00 C ATOM 101 CG ASP A 7 -1.579 3.413 6.224 1.00 0.00 C ATOM 102 OD1 ASP A 7 -1.002 2.392 5.789 1.00 0.00 O ATOM 103 OD2 ASP A 7 -2.451 3.341 7.119 1.00 0.00 O ATOM 0 H ASP A 7 -0.211 6.515 3.328 1.00 0.00 H new ATOM 0 HA ASP A 7 0.489 4.040 4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.650 5.345 6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.090 5.372 5.477 1.00 0.00 H new ATOM 108 N GLU A 8 -1.637 3.129 3.144 1.00 0.00 N ATOM 109 CA GLU A 8 -2.537 2.658 2.088 1.00 0.00 C ATOM 110 C GLU A 8 -3.820 3.493 1.994 1.00 0.00 C ATOM 111 O GLU A 8 -4.489 3.469 0.962 1.00 0.00 O ATOM 112 CB GLU A 8 -2.831 1.158 2.257 1.00 0.00 C ATOM 113 CG GLU A 8 -3.698 0.821 3.481 1.00 0.00 C ATOM 114 CD GLU A 8 -3.847 -0.700 3.660 1.00 0.00 C ATOM 115 OE1 GLU A 8 -4.793 -1.294 3.096 1.00 0.00 O ATOM 116 OE2 GLU A 8 -3.031 -1.320 4.381 1.00 0.00 O ATOM 0 H GLU A 8 -1.421 2.414 3.839 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.025 2.794 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.331 0.794 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.886 0.620 2.336 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.250 1.252 4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.683 1.274 3.367 1.00 0.00 H new ATOM 123 N THR A 9 -4.155 4.269 3.026 1.00 0.00 N ATOM 124 CA THR A 9 -5.213 5.267 3.000 1.00 0.00 C ATOM 125 C THR A 9 -5.050 6.210 1.800 1.00 0.00 C ATOM 126 O THR A 9 -6.041 6.544 1.151 1.00 0.00 O ATOM 127 CB THR A 9 -5.179 6.039 4.331 1.00 0.00 C ATOM 128 OG1 THR A 9 -5.028 5.130 5.410 1.00 0.00 O ATOM 129 CG2 THR A 9 -6.435 6.885 4.558 1.00 0.00 C ATOM 0 H THR A 9 -3.681 4.215 3.927 1.00 0.00 H new ATOM 0 HA THR A 9 -6.182 4.780 2.886 1.00 0.00 H new ATOM 0 HB THR A 9 -4.329 6.720 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.005 5.626 6.255 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.355 7.407 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.533 7.613 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.312 6.238 4.571 1.00 0.00 H new ATOM 137 N ARG A 10 -3.820 6.612 1.447 1.00 0.00 N ATOM 138 CA ARG A 10 -3.608 7.470 0.282 1.00 0.00 C ATOM 139 C ARG A 10 -3.948 6.719 -0.999 1.00 0.00 C ATOM 140 O ARG A 10 -4.579 7.302 -1.872 1.00 0.00 O ATOM 141 CB ARG A 10 -2.171 8.020 0.258 1.00 0.00 C ATOM 142 CG ARG A 10 -1.973 9.192 1.238 1.00 0.00 C ATOM 143 CD ARG A 10 -2.526 10.514 0.680 1.00 0.00 C ATOM 144 NE ARG A 10 -2.392 11.619 1.651 1.00 0.00 N ATOM 145 CZ ARG A 10 -1.888 12.843 1.422 1.00 0.00 C ATOM 146 NH1 ARG A 10 -1.398 13.203 0.240 1.00 0.00 N ATOM 147 NH2 ARG A 10 -1.877 13.743 2.398 1.00 0.00 N ATOM 0 H ARG A 10 -2.969 6.358 1.948 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.279 8.326 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.475 7.220 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.928 8.350 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.468 8.962 2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.911 9.307 1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.997 10.771 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.576 10.386 0.417 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.718 11.432 2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.396 12.539 -0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.024 14.143 0.108 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.250 13.504 3.317 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.495 14.674 2.229 1.00 0.00 H new ATOM 161 N GLU A 11 -3.608 5.433 -1.109 1.00 0.00 N ATOM 162 CA GLU A 11 -3.980 4.632 -2.275 1.00 0.00 C ATOM 163 C GLU A 11 -5.504 4.518 -2.384 1.00 0.00 C ATOM 164 O GLU A 11 -6.048 4.624 -3.483 1.00 0.00 O ATOM 165 CB GLU A 11 -3.315 3.246 -2.248 1.00 0.00 C ATOM 166 CG GLU A 11 -1.786 3.364 -2.229 1.00 0.00 C ATOM 167 CD GLU A 11 -1.090 2.045 -2.583 1.00 0.00 C ATOM 168 OE1 GLU A 11 -0.932 1.754 -3.792 1.00 0.00 O ATOM 169 OE2 GLU A 11 -0.539 1.378 -1.682 1.00 0.00 O ATOM 0 H GLU A 11 -3.075 4.924 -0.403 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.612 5.144 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.651 2.696 -1.369 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.627 2.673 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.476 4.135 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.462 3.688 -1.240 1.00 0.00 H new ATOM 176 N HIS A 12 -6.205 4.378 -1.255 1.00 0.00 N ATOM 177 CA HIS A 12 -7.667 4.381 -1.247 1.00 0.00 C ATOM 178 C HIS A 12 -8.215 5.746 -1.679 1.00 0.00 C ATOM 179 O HIS A 12 -9.179 5.804 -2.441 1.00 0.00 O ATOM 180 CB HIS A 12 -8.215 3.980 0.130 1.00 0.00 C ATOM 181 CG HIS A 12 -8.017 2.519 0.454 1.00 0.00 C ATOM 182 ND1 HIS A 12 -6.831 1.902 0.784 1.00 0.00 N ATOM 183 CD2 HIS A 12 -8.986 1.550 0.462 1.00 0.00 C ATOM 184 CE1 HIS A 12 -7.077 0.597 0.983 1.00 0.00 C ATOM 185 NE2 HIS A 12 -8.384 0.329 0.800 1.00 0.00 N ATOM 0 H HIS A 12 -5.781 4.261 -0.335 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.005 3.638 -1.969 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.728 4.583 0.896 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.279 4.212 0.171 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -5.922 2.358 0.864 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.033 1.701 0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.331 -0.136 1.252 1.00 0.00 H new ATOM 193 N ARG A 13 -7.621 6.857 -1.234 1.00 0.00 N ATOM 194 CA ARG A 13 -8.067 8.199 -1.621 1.00 0.00 C ATOM 195 C ARG A 13 -7.802 8.465 -3.102 1.00 0.00 C ATOM 196 O ARG A 13 -8.638 9.076 -3.764 1.00 0.00 O ATOM 197 CB ARG A 13 -7.406 9.260 -0.719 1.00 0.00 C ATOM 198 CG ARG A 13 -7.868 9.202 0.755 1.00 0.00 C ATOM 199 CD ARG A 13 -9.121 10.035 1.064 1.00 0.00 C ATOM 200 NE ARG A 13 -10.273 9.651 0.226 1.00 0.00 N ATOM 201 CZ ARG A 13 -10.990 10.477 -0.546 1.00 0.00 C ATOM 202 NH1 ARG A 13 -10.895 11.797 -0.436 1.00 0.00 N ATOM 203 NH2 ARG A 13 -11.811 9.994 -1.466 1.00 0.00 N ATOM 0 H ARG A 13 -6.822 6.853 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.146 8.262 -1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.324 9.132 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.624 10.250 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.064 8.163 1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.053 9.546 1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.384 9.915 2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.899 11.091 0.910 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.548 8.669 0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.263 12.207 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.454 12.401 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.901 8.986 -1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.354 10.630 -2.050 1.00 0.00 H new ATOM 217 N ILE A 14 -6.686 7.973 -3.640 1.00 0.00 N ATOM 218 CA ILE A 14 -6.402 8.002 -5.069 1.00 0.00 C ATOM 219 C ILE A 14 -7.526 7.250 -5.790 1.00 0.00 C ATOM 220 O ILE A 14 -8.162 7.799 -6.692 1.00 0.00 O ATOM 221 CB ILE A 14 -4.984 7.426 -5.322 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.908 8.434 -4.853 1.00 0.00 C ATOM 223 CG2 ILE A 14 -4.755 7.053 -6.798 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.532 7.811 -4.593 1.00 0.00 C ATOM 0 H ILE A 14 -5.947 7.539 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.386 9.016 -5.468 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.902 6.507 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.804 9.214 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.254 8.918 -3.939 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.748 6.655 -6.921 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.482 6.299 -7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.873 7.940 -7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.837 8.586 -4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.617 7.051 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.161 7.352 -5.510 1.00 0.00 H new ATOM 236 N GLU A 15 -7.800 6.014 -5.373 1.00 0.00 N ATOM 237 CA GLU A 15 -8.760 5.146 -6.038 1.00 0.00 C ATOM 238 C GLU A 15 -10.175 5.740 -6.028 1.00 0.00 C ATOM 239 O GLU A 15 -10.878 5.652 -7.033 1.00 0.00 O ATOM 240 CB GLU A 15 -8.712 3.765 -5.360 1.00 0.00 C ATOM 241 CG GLU A 15 -9.750 2.784 -5.920 1.00 0.00 C ATOM 242 CD GLU A 15 -9.562 1.371 -5.340 1.00 0.00 C ATOM 243 OE1 GLU A 15 -8.816 0.559 -5.934 1.00 0.00 O ATOM 244 OE2 GLU A 15 -10.178 1.046 -4.300 1.00 0.00 O ATOM 0 H GLU A 15 -7.357 5.588 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.491 5.046 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.716 3.340 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.876 3.886 -4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.753 3.143 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.668 2.746 -7.006 1.00 0.00 H new ATOM 251 N THR A 16 -10.592 6.350 -4.917 1.00 0.00 N ATOM 252 CA THR A 16 -11.982 6.756 -4.714 1.00 0.00 C ATOM 253 C THR A 16 -12.339 8.115 -5.340 1.00 0.00 C ATOM 254 O THR A 16 -13.528 8.431 -5.405 1.00 0.00 O ATOM 255 CB THR A 16 -12.352 6.680 -3.218 1.00 0.00 C ATOM 256 OG1 THR A 16 -11.396 7.315 -2.387 1.00 0.00 O ATOM 257 CG2 THR A 16 -12.493 5.227 -2.751 1.00 0.00 C ATOM 0 H THR A 16 -9.977 6.576 -4.135 1.00 0.00 H new ATOM 0 HA THR A 16 -12.598 6.040 -5.259 1.00 0.00 H new ATOM 0 HB THR A 16 -13.305 7.202 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.611 6.736 -2.290 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.754 5.209 -1.693 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.276 4.734 -3.327 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.549 4.703 -2.901 1.00 0.00 H new ATOM 265 N GLU A 17 -11.373 8.902 -5.841 1.00 0.00 N ATOM 266 CA GLU A 17 -11.701 10.150 -6.547 1.00 0.00 C ATOM 267 C GLU A 17 -10.677 10.628 -7.582 1.00 0.00 C ATOM 268 O GLU A 17 -11.077 11.327 -8.514 1.00 0.00 O ATOM 269 CB GLU A 17 -12.053 11.279 -5.557 1.00 0.00 C ATOM 270 CG GLU A 17 -10.938 11.677 -4.584 1.00 0.00 C ATOM 271 CD GLU A 17 -11.432 12.753 -3.604 1.00 0.00 C ATOM 272 OE1 GLU A 17 -12.286 12.437 -2.742 1.00 0.00 O ATOM 273 OE2 GLU A 17 -10.945 13.904 -3.655 1.00 0.00 O ATOM 0 H GLU A 17 -10.375 8.701 -5.772 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.579 9.891 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.345 12.161 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.924 10.972 -4.978 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.601 10.800 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.079 12.052 -5.141 1.00 0.00 H new ATOM 280 N ILE A 18 -9.395 10.264 -7.485 1.00 0.00 N ATOM 281 CA ILE A 18 -8.390 10.743 -8.441 1.00 0.00 C ATOM 282 C ILE A 18 -8.489 9.924 -9.736 1.00 0.00 C ATOM 283 O ILE A 18 -8.444 10.498 -10.824 1.00 0.00 O ATOM 284 CB ILE A 18 -6.974 10.748 -7.810 1.00 0.00 C ATOM 285 CG1 ILE A 18 -7.009 11.560 -6.489 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.936 11.324 -8.790 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.655 11.903 -5.859 1.00 0.00 C ATOM 0 H ILE A 18 -9.030 9.645 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.589 11.782 -8.702 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.674 9.723 -7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.544 12.491 -6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.592 10.998 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.951 11.316 -8.323 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.913 10.716 -9.695 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.207 12.348 -9.047 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.814 12.471 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.118 10.983 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.069 12.499 -6.558 1.00 0.00 H new ATOM 299 N ILE A 19 -8.692 8.604 -9.639 1.00 0.00 N ATOM 300 CA ILE A 19 -8.772 7.702 -10.794 1.00 0.00 C ATOM 301 C ILE A 19 -10.060 6.864 -10.794 1.00 0.00 C ATOM 302 O ILE A 19 -10.156 5.885 -11.530 1.00 0.00 O ATOM 303 CB ILE A 19 -7.494 6.859 -10.899 1.00 0.00 C ATOM 304 CG1 ILE A 19 -7.282 6.057 -9.604 1.00 0.00 C ATOM 305 CG2 ILE A 19 -6.289 7.748 -11.266 1.00 0.00 C ATOM 306 CD1 ILE A 19 -6.165 5.047 -9.775 1.00 0.00 C ATOM 0 H ILE A 19 -8.807 8.127 -8.745 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.834 8.307 -11.699 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.598 6.134 -11.706 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.043 6.736 -8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.205 5.544 -9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.391 7.133 -11.336 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.473 8.232 -12.225 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.149 8.507 -10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.032 4.491 -8.847 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.419 4.356 -10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.239 5.567 -10.022 1.00 0.00 H new ATOM 318 N VAL A 20 -11.062 7.237 -9.993 1.00 0.00 N ATOM 319 CA VAL A 20 -12.326 6.502 -9.884 1.00 0.00 C ATOM 320 C VAL A 20 -13.020 6.330 -11.247 1.00 0.00 C ATOM 321 O VAL A 20 -13.651 5.302 -11.497 1.00 0.00 O ATOM 322 CB VAL A 20 -13.213 7.186 -8.820 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.793 8.539 -9.262 1.00 0.00 C ATOM 324 CG2 VAL A 20 -14.339 6.269 -8.328 1.00 0.00 C ATOM 0 H VAL A 20 -11.019 8.064 -9.397 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.127 5.483 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.534 7.389 -7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.403 8.953 -8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.979 9.227 -9.491 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.409 8.398 -10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.935 6.794 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.974 5.989 -9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.909 5.371 -7.884 1.00 0.00 H new ATOM 334 N ASP A 21 -12.882 7.316 -12.142 1.00 0.00 N ATOM 335 CA ASP A 21 -13.508 7.320 -13.467 1.00 0.00 C ATOM 336 C ASP A 21 -12.625 6.641 -14.527 1.00 0.00 C ATOM 337 O ASP A 21 -13.062 6.443 -15.663 1.00 0.00 O ATOM 338 CB ASP A 21 -13.804 8.774 -13.862 1.00 0.00 C ATOM 339 CG ASP A 21 -14.584 8.884 -15.184 1.00 0.00 C ATOM 340 OD1 ASP A 21 -15.737 8.399 -15.255 1.00 0.00 O ATOM 341 OD2 ASP A 21 -14.079 9.514 -16.140 1.00 0.00 O ATOM 0 H ASP A 21 -12.321 8.148 -11.961 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.433 6.745 -13.418 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.376 9.253 -13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.865 9.320 -13.953 1.00 0.00 H new ATOM 346 N ALA A 22 -11.378 6.295 -14.183 1.00 0.00 N ATOM 347 CA ALA A 22 -10.423 5.711 -15.118 1.00 0.00 C ATOM 348 C ALA A 22 -10.757 4.242 -15.425 1.00 0.00 C ATOM 349 O ALA A 22 -11.616 3.631 -14.783 1.00 0.00 O ATOM 350 CB ALA A 22 -8.997 5.859 -14.572 1.00 0.00 C ATOM 0 H ALA A 22 -11.006 6.415 -13.241 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.491 6.253 -16.061 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.290 5.420 -15.276 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.767 6.916 -14.438 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.919 5.346 -13.613 1.00 0.00 H new ATOM 356 N GLU A 23 -10.045 3.663 -16.398 1.00 0.00 N ATOM 357 CA GLU A 23 -10.243 2.288 -16.857 1.00 0.00 C ATOM 358 C GLU A 23 -8.921 1.708 -17.374 1.00 0.00 C ATOM 359 O GLU A 23 -8.550 0.597 -16.994 1.00 0.00 O ATOM 360 CB GLU A 23 -11.331 2.272 -17.946 1.00 0.00 C ATOM 361 CG GLU A 23 -11.698 0.849 -18.390 1.00 0.00 C ATOM 362 CD GLU A 23 -12.866 0.852 -19.392 1.00 0.00 C ATOM 363 OE1 GLU A 23 -12.627 0.944 -20.618 1.00 0.00 O ATOM 364 OE2 GLU A 23 -14.040 0.740 -18.968 1.00 0.00 O ATOM 0 H GLU A 23 -9.300 4.149 -16.897 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.573 1.662 -16.028 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.223 2.773 -17.571 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.985 2.840 -18.809 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.829 0.374 -18.845 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.967 0.253 -17.518 1.00 0.00 H new ATOM 371 N ASP A 24 -8.143 2.485 -18.136 1.00 0.00 N ATOM 372 CA ASP A 24 -6.860 2.072 -18.723 1.00 0.00 C ATOM 373 C ASP A 24 -5.755 3.015 -18.226 1.00 0.00 C ATOM 374 O ASP A 24 -6.029 3.933 -17.448 1.00 0.00 O ATOM 375 CB ASP A 24 -6.980 2.038 -20.260 1.00 0.00 C ATOM 376 CG ASP A 24 -6.051 0.999 -20.915 1.00 0.00 C ATOM 377 OD1 ASP A 24 -4.828 1.011 -20.649 1.00 0.00 O ATOM 378 OD2 ASP A 24 -6.545 0.163 -21.705 1.00 0.00 O ATOM 0 H ASP A 24 -8.394 3.446 -18.369 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.593 1.064 -18.407 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.012 1.817 -20.533 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.749 3.026 -20.659 1.00 0.00 H new ATOM 383 N LYS A 25 -4.499 2.796 -18.610 1.00 0.00 N ATOM 384 CA LYS A 25 -3.354 3.587 -18.151 1.00 0.00 C ATOM 385 C LYS A 25 -3.441 5.044 -18.603 1.00 0.00 C ATOM 386 O LYS A 25 -3.114 5.947 -17.836 1.00 0.00 O ATOM 387 CB LYS A 25 -2.043 2.916 -18.601 1.00 0.00 C ATOM 388 CG LYS A 25 -1.833 2.854 -20.128 1.00 0.00 C ATOM 389 CD LYS A 25 -0.787 1.807 -20.538 1.00 0.00 C ATOM 390 CE LYS A 25 -1.229 0.358 -20.265 1.00 0.00 C ATOM 391 NZ LYS A 25 -2.335 -0.096 -21.147 1.00 0.00 N ATOM 0 H LYS A 25 -4.242 2.052 -19.259 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.370 3.614 -17.061 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.206 3.454 -18.156 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.017 1.901 -18.204 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.782 2.623 -20.612 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.521 3.834 -20.488 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.570 1.918 -21.600 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.141 2.003 -20.001 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.374 -0.306 -20.395 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.544 0.272 -19.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.394 -1.134 -21.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.233 0.310 -20.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.153 0.218 -22.122 1.00 0.00 H new ATOM 405 N GLU A 26 -3.928 5.272 -19.825 1.00 0.00 N ATOM 406 CA GLU A 26 -4.112 6.615 -20.365 1.00 0.00 C ATOM 407 C GLU A 26 -5.206 7.320 -19.560 1.00 0.00 C ATOM 408 O GLU A 26 -5.063 8.480 -19.183 1.00 0.00 O ATOM 409 CB GLU A 26 -4.492 6.538 -21.854 1.00 0.00 C ATOM 410 CG GLU A 26 -3.401 5.881 -22.715 1.00 0.00 C ATOM 411 CD GLU A 26 -3.795 5.849 -24.204 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.523 4.921 -24.625 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.363 6.733 -24.977 1.00 0.00 O ATOM 0 H GLU A 26 -4.205 4.528 -20.466 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.184 7.181 -20.285 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.419 5.975 -21.959 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.686 7.544 -22.227 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.466 6.428 -22.597 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.222 4.865 -22.364 1.00 0.00 H new ATOM 420 N GLU A 27 -6.278 6.595 -19.229 1.00 0.00 N ATOM 421 CA GLU A 27 -7.384 7.139 -18.454 1.00 0.00 C ATOM 422 C GLU A 27 -6.930 7.468 -17.030 1.00 0.00 C ATOM 423 O GLU A 27 -7.396 8.450 -16.459 1.00 0.00 O ATOM 424 CB GLU A 27 -8.566 6.161 -18.438 1.00 0.00 C ATOM 425 CG GLU A 27 -9.057 5.727 -19.829 1.00 0.00 C ATOM 426 CD GLU A 27 -9.492 6.912 -20.713 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.457 7.623 -20.354 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.893 7.124 -21.790 1.00 0.00 O ATOM 0 H GLU A 27 -6.399 5.617 -19.493 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.716 8.063 -18.928 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.278 5.273 -17.875 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.395 6.623 -17.902 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.262 5.178 -20.333 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.896 5.040 -19.714 1.00 0.00 H new ATOM 435 N ARG A 28 -6.008 6.690 -16.449 1.00 0.00 N ATOM 436 CA ARG A 28 -5.466 6.990 -15.124 1.00 0.00 C ATOM 437 C ARG A 28 -4.617 8.253 -15.179 1.00 0.00 C ATOM 438 O ARG A 28 -4.781 9.110 -14.311 1.00 0.00 O ATOM 439 CB ARG A 28 -4.675 5.798 -14.561 1.00 0.00 C ATOM 440 CG ARG A 28 -5.621 4.678 -14.103 1.00 0.00 C ATOM 441 CD ARG A 28 -4.855 3.418 -13.685 1.00 0.00 C ATOM 442 NE ARG A 28 -5.755 2.357 -13.197 1.00 0.00 N ATOM 443 CZ ARG A 28 -6.518 1.554 -13.953 1.00 0.00 C ATOM 444 NH1 ARG A 28 -6.592 1.728 -15.269 1.00 0.00 N ATOM 445 NH2 ARG A 28 -7.214 0.575 -13.387 1.00 0.00 N ATOM 0 H ARG A 28 -5.624 5.848 -16.878 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.297 7.169 -14.442 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.995 5.416 -15.322 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.062 6.127 -13.722 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.223 5.031 -13.266 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.311 4.432 -14.911 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.282 3.045 -14.534 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.139 3.672 -12.904 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.802 2.221 -12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.065 2.479 -15.715 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.176 1.110 -15.833 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.168 0.434 -12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.795 -0.036 -13.961 1.00 0.00 H new ATOM 459 N ALA A 29 -3.768 8.412 -16.199 1.00 0.00 N ATOM 460 CA ALA A 29 -3.006 9.640 -16.386 1.00 0.00 C ATOM 461 C ALA A 29 -3.948 10.843 -16.512 1.00 0.00 C ATOM 462 O ALA A 29 -3.702 11.877 -15.895 1.00 0.00 O ATOM 463 CB ALA A 29 -2.100 9.509 -17.613 1.00 0.00 C ATOM 0 H ALA A 29 -3.594 7.700 -16.908 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.375 9.806 -15.513 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.533 10.430 -17.747 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.411 8.677 -17.469 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.710 9.326 -18.498 1.00 0.00 H new ATOM 469 N MET A 30 -5.048 10.715 -17.261 1.00 0.00 N ATOM 470 CA MET A 30 -6.054 11.763 -17.369 1.00 0.00 C ATOM 471 C MET A 30 -6.782 12.001 -16.045 1.00 0.00 C ATOM 472 O MET A 30 -7.042 13.155 -15.714 1.00 0.00 O ATOM 473 CB MET A 30 -7.021 11.437 -18.512 1.00 0.00 C ATOM 474 CG MET A 30 -6.538 11.997 -19.857 1.00 0.00 C ATOM 475 SD MET A 30 -4.861 11.580 -20.435 1.00 0.00 S ATOM 476 CE MET A 30 -3.859 12.910 -19.704 1.00 0.00 C ATOM 0 H MET A 30 -5.261 9.880 -17.807 1.00 0.00 H new ATOM 0 HA MET A 30 -5.551 12.701 -17.603 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.137 10.356 -18.591 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.004 11.847 -18.282 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.241 11.668 -20.622 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.608 13.084 -19.805 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.964 13.064 -20.307 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.441 13.831 -19.677 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.571 12.633 -18.690 1.00 0.00 H new ATOM 486 N GLY A 31 -7.068 10.961 -15.260 1.00 0.00 N ATOM 487 CA GLY A 31 -7.653 11.105 -13.933 1.00 0.00 C ATOM 488 C GLY A 31 -6.773 12.001 -13.062 1.00 0.00 C ATOM 489 O GLY A 31 -7.242 13.019 -12.547 1.00 0.00 O ATOM 0 H GLY A 31 -6.898 9.992 -15.531 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.653 11.532 -14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.761 10.126 -13.467 1.00 0.00 H new ATOM 493 N TRP A 32 -5.475 11.685 -12.991 1.00 0.00 N ATOM 494 CA TRP A 32 -4.496 12.529 -12.320 1.00 0.00 C ATOM 495 C TRP A 32 -4.496 13.942 -12.898 1.00 0.00 C ATOM 496 O TRP A 32 -4.550 14.898 -12.124 1.00 0.00 O ATOM 497 CB TRP A 32 -3.100 11.901 -12.406 1.00 0.00 C ATOM 498 CG TRP A 32 -2.854 10.833 -11.391 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.898 9.498 -11.592 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.539 11.012 -9.979 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.637 8.840 -10.408 1.00 0.00 N ATOM 502 CE2 TRP A 32 -2.423 9.726 -9.375 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.349 12.137 -9.147 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -2.148 9.566 -8.012 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -2.066 11.987 -7.777 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.970 10.704 -7.211 1.00 0.00 C ATOM 0 H TRP A 32 -5.080 10.837 -13.398 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.776 12.604 -11.269 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.962 11.481 -13.402 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.352 12.684 -12.284 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.106 9.018 -12.537 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.606 7.825 -10.310 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.422 13.128 -9.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.074 8.578 -7.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.922 12.860 -7.158 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.759 10.594 -6.158 1.00 0.00 H new ATOM 517 N TYR A 33 -4.471 14.083 -14.227 1.00 0.00 N ATOM 518 CA TYR A 33 -4.398 15.380 -14.876 1.00 0.00 C ATOM 519 C TYR A 33 -5.564 16.266 -14.448 1.00 0.00 C ATOM 520 O TYR A 33 -5.336 17.378 -13.977 1.00 0.00 O ATOM 521 CB TYR A 33 -4.358 15.225 -16.404 1.00 0.00 C ATOM 522 CG TYR A 33 -4.484 16.550 -17.123 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.364 17.388 -17.244 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.744 16.995 -17.566 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.502 18.672 -17.793 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.893 18.287 -18.098 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.768 19.134 -18.219 1.00 0.00 C ATOM 528 OH TYR A 33 -4.897 20.391 -18.730 1.00 0.00 O ATOM 0 H TYR A 33 -4.501 13.297 -14.876 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.473 15.865 -14.563 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.423 14.746 -16.693 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.166 14.565 -16.721 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.395 17.044 -16.914 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.600 16.340 -17.497 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.636 19.310 -17.891 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.866 18.632 -18.414 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.832 20.550 -18.975 1.00 0.00 H new ATOM 538 N TYR A 34 -6.805 15.791 -14.580 1.00 0.00 N ATOM 539 CA TYR A 34 -7.968 16.621 -14.309 1.00 0.00 C ATOM 540 C TYR A 34 -8.125 16.884 -12.811 1.00 0.00 C ATOM 541 O TYR A 34 -8.585 17.962 -12.433 1.00 0.00 O ATOM 542 CB TYR A 34 -9.229 15.992 -14.912 1.00 0.00 C ATOM 543 CG TYR A 34 -9.256 16.015 -16.433 1.00 0.00 C ATOM 544 CD1 TYR A 34 -9.287 17.246 -17.118 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.246 14.813 -17.166 1.00 0.00 C ATOM 546 CE1 TYR A 34 -9.321 17.278 -18.525 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.264 14.835 -18.572 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.303 16.069 -19.259 1.00 0.00 C ATOM 549 OH TYR A 34 -9.322 16.080 -20.622 1.00 0.00 O ATOM 0 H TYR A 34 -7.024 14.839 -14.872 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.818 17.589 -14.787 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.308 14.960 -14.572 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.104 16.520 -14.534 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.285 18.171 -16.560 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.224 13.867 -16.645 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.361 18.225 -19.043 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.248 13.908 -19.127 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.304 15.159 -20.957 1.00 0.00 H new ATOM 559 N TYR A 35 -7.723 15.947 -11.947 1.00 0.00 N ATOM 560 CA TYR A 35 -7.760 16.165 -10.508 1.00 0.00 C ATOM 561 C TYR A 35 -6.776 17.271 -10.112 1.00 0.00 C ATOM 562 O TYR A 35 -7.128 18.187 -9.366 1.00 0.00 O ATOM 563 CB TYR A 35 -7.450 14.852 -9.783 1.00 0.00 C ATOM 564 CG TYR A 35 -7.761 14.902 -8.302 1.00 0.00 C ATOM 565 CD1 TYR A 35 -9.061 14.597 -7.856 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.765 15.263 -7.375 1.00 0.00 C ATOM 567 CE1 TYR A 35 -9.364 14.636 -6.486 1.00 0.00 C ATOM 568 CE2 TYR A 35 -7.063 15.310 -6.001 1.00 0.00 C ATOM 569 CZ TYR A 35 -8.363 14.985 -5.548 1.00 0.00 C ATOM 570 OH TYR A 35 -8.634 14.995 -4.215 1.00 0.00 O ATOM 0 H TYR A 35 -7.369 15.032 -12.225 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.757 16.492 -10.214 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -8.024 14.047 -10.241 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.396 14.609 -9.919 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.827 14.332 -8.570 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.770 15.504 -7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.362 14.399 -6.147 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.299 15.594 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.597 14.880 -4.076 1.00 0.00 H new ATOM 580 N LEU A 36 -5.550 17.227 -10.640 1.00 0.00 N ATOM 581 CA LEU A 36 -4.538 18.245 -10.386 1.00 0.00 C ATOM 582 C LEU A 36 -4.979 19.571 -10.996 1.00 0.00 C ATOM 583 O LEU A 36 -4.839 20.595 -10.337 1.00 0.00 O ATOM 584 CB LEU A 36 -3.174 17.797 -10.938 1.00 0.00 C ATOM 585 CG LEU A 36 -2.274 17.102 -9.896 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.970 16.015 -9.064 1.00 0.00 C ATOM 587 CD2 LEU A 36 -1.078 16.474 -10.613 1.00 0.00 C ATOM 0 H LEU A 36 -5.234 16.479 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.427 18.383 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.337 17.116 -11.774 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.650 18.667 -11.333 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.977 17.881 -9.193 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.258 15.584 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.803 16.454 -8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.344 15.234 -9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.435 15.980 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.432 15.743 -11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.513 17.251 -11.127 1.00 0.00 H new ATOM 599 N ASP A 37 -5.574 19.569 -12.190 1.00 0.00 N ATOM 600 CA ASP A 37 -6.097 20.780 -12.819 1.00 0.00 C ATOM 601 C ASP A 37 -7.173 21.440 -11.956 1.00 0.00 C ATOM 602 O ASP A 37 -7.248 22.668 -11.896 1.00 0.00 O ATOM 603 CB ASP A 37 -6.655 20.456 -14.209 1.00 0.00 C ATOM 604 CG ASP A 37 -7.319 21.684 -14.850 1.00 0.00 C ATOM 605 OD1 ASP A 37 -6.599 22.554 -15.385 1.00 0.00 O ATOM 606 OD2 ASP A 37 -8.569 21.762 -14.862 1.00 0.00 O ATOM 0 H ASP A 37 -5.706 18.725 -12.748 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.273 21.486 -12.921 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.850 20.100 -14.851 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.382 19.647 -14.131 1.00 0.00 H new ATOM 611 N ASP A 38 -7.975 20.641 -11.245 1.00 0.00 N ATOM 612 CA ASP A 38 -8.996 21.144 -10.328 1.00 0.00 C ATOM 613 C ASP A 38 -8.406 21.593 -8.983 1.00 0.00 C ATOM 614 O ASP A 38 -9.015 22.408 -8.287 1.00 0.00 O ATOM 615 CB ASP A 38 -10.060 20.063 -10.098 1.00 0.00 C ATOM 616 CG ASP A 38 -11.182 20.556 -9.169 1.00 0.00 C ATOM 617 OD1 ASP A 38 -11.974 21.433 -9.583 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.317 20.034 -8.039 1.00 0.00 O ATOM 0 H ASP A 38 -7.932 19.623 -11.291 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.448 22.022 -10.790 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.486 19.763 -11.055 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.592 19.178 -9.666 1.00 0.00 H new ATOM 623 N THR A 39 -7.223 21.095 -8.615 1.00 0.00 N ATOM 624 CA THR A 39 -6.659 21.287 -7.281 1.00 0.00 C ATOM 625 C THR A 39 -5.632 22.422 -7.255 1.00 0.00 C ATOM 626 O THR A 39 -5.664 23.258 -6.352 1.00 0.00 O ATOM 627 CB THR A 39 -6.026 19.964 -6.814 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.002 18.943 -6.771 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.383 20.102 -5.431 1.00 0.00 C ATOM 0 H THR A 39 -6.629 20.546 -9.237 1.00 0.00 H new ATOM 0 HA THR A 39 -7.460 21.574 -6.599 1.00 0.00 H new ATOM 0 HB THR A 39 -5.248 19.705 -7.532 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.233 18.672 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.947 19.148 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.602 20.862 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.141 20.395 -4.705 1.00 0.00 H new ATOM 637 N LEU A 40 -4.706 22.436 -8.214 1.00 0.00 N ATOM 638 CA LEU A 40 -3.563 23.337 -8.232 1.00 0.00 C ATOM 639 C LEU A 40 -4.079 24.750 -8.499 1.00 0.00 C ATOM 640 O LEU A 40 -4.674 25.006 -9.547 1.00 0.00 O ATOM 641 CB LEU A 40 -2.577 22.913 -9.338 1.00 0.00 C ATOM 642 CG LEU A 40 -1.921 21.528 -9.158 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.260 21.103 -10.474 1.00 0.00 C ATOM 644 CD2 LEU A 40 -0.861 21.480 -8.061 1.00 0.00 C ATOM 0 H LEU A 40 -4.734 21.806 -9.016 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.039 23.304 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.104 22.923 -10.292 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.788 23.662 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.724 20.853 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.796 20.125 -10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.014 21.049 -11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.499 21.833 -10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.448 20.473 -7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.063 22.185 -8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.313 21.747 -7.106 1.00 0.00 H new ATOM 656 N GLU A 41 -3.834 25.679 -7.580 1.00 0.00 N ATOM 657 CA GLU A 41 -4.279 27.068 -7.678 1.00 0.00 C ATOM 658 C GLU A 41 -3.277 27.884 -8.516 1.00 0.00 C ATOM 659 O GLU A 41 -2.803 28.942 -8.095 1.00 0.00 O ATOM 660 CB GLU A 41 -4.532 27.663 -6.278 1.00 0.00 C ATOM 661 CG GLU A 41 -5.649 26.920 -5.521 1.00 0.00 C ATOM 662 CD GLU A 41 -6.161 27.659 -4.264 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.497 28.581 -3.738 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.279 27.336 -3.799 1.00 0.00 O ATOM 0 H GLU A 41 -3.309 25.484 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.236 27.110 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.611 27.621 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.800 28.715 -6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.486 26.757 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.281 25.937 -5.227 1.00 0.00 H new ATOM 671 N PHE A 42 -2.898 27.364 -9.690 1.00 0.00 N ATOM 672 CA PHE A 42 -2.052 28.079 -10.641 1.00 0.00 C ATOM 673 C PHE A 42 -2.762 29.352 -11.157 1.00 0.00 C ATOM 674 O PHE A 42 -3.997 29.411 -11.109 1.00 0.00 O ATOM 675 CB PHE A 42 -1.622 27.127 -11.770 1.00 0.00 C ATOM 676 CG PHE A 42 -2.733 26.529 -12.616 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.408 27.317 -13.570 1.00 0.00 C ATOM 678 CD2 PHE A 42 -3.022 25.154 -12.523 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.381 26.740 -14.403 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.994 24.577 -13.357 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.677 25.371 -14.295 1.00 0.00 C ATOM 0 H PHE A 42 -3.172 26.433 -10.004 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.144 28.420 -10.143 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.944 27.667 -12.431 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.053 26.309 -11.328 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.176 28.368 -13.661 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.494 24.541 -11.808 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.902 27.349 -15.127 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.217 23.523 -13.278 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.429 24.929 -14.932 1.00 0.00 H new ATOM 691 N PRO A 43 -2.039 30.356 -11.698 1.00 0.00 N ATOM 692 CA PRO A 43 -0.581 30.455 -11.761 1.00 0.00 C ATOM 693 C PRO A 43 0.024 30.559 -10.356 1.00 0.00 C ATOM 694 O PRO A 43 -0.578 31.167 -9.468 1.00 0.00 O ATOM 695 CB PRO A 43 -0.293 31.708 -12.596 1.00 0.00 C ATOM 696 CG PRO A 43 -1.519 32.588 -12.373 1.00 0.00 C ATOM 697 CD PRO A 43 -2.646 31.566 -12.239 1.00 0.00 C ATOM 0 HA PRO A 43 -0.132 29.569 -12.210 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.620 32.205 -12.269 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.163 31.464 -13.650 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.420 33.201 -11.477 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.686 33.268 -13.208 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.430 31.936 -11.579 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.110 31.370 -13.206 1.00 0.00 H new ATOM 705 N PHE A 44 1.200 29.960 -10.145 1.00 0.00 N ATOM 706 CA PHE A 44 1.894 30.011 -8.857 1.00 0.00 C ATOM 707 C PHE A 44 3.402 30.053 -9.096 1.00 0.00 C ATOM 708 O PHE A 44 3.868 29.705 -10.176 1.00 0.00 O ATOM 709 CB PHE A 44 1.461 28.845 -7.941 1.00 0.00 C ATOM 710 CG PHE A 44 1.821 27.426 -8.368 1.00 0.00 C ATOM 711 CD1 PHE A 44 3.147 26.974 -8.247 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.833 26.521 -8.802 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.500 25.659 -8.582 1.00 0.00 C ATOM 714 CE2 PHE A 44 1.180 25.200 -9.143 1.00 0.00 C ATOM 715 CZ PHE A 44 2.514 24.767 -9.038 1.00 0.00 C ATOM 0 H PHE A 44 1.695 29.428 -10.861 1.00 0.00 H new ATOM 0 HA PHE A 44 1.616 30.922 -8.327 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.893 29.017 -6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.378 28.895 -7.827 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.908 27.652 -7.889 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.196 26.842 -8.874 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.525 25.333 -8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.418 24.516 -9.487 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.779 23.755 -9.306 1.00 0.00 H new ATOM 725 N MET A 45 4.182 30.487 -8.110 1.00 0.00 N ATOM 726 CA MET A 45 5.636 30.566 -8.236 1.00 0.00 C ATOM 727 C MET A 45 6.244 29.229 -7.810 1.00 0.00 C ATOM 728 O MET A 45 5.763 28.626 -6.850 1.00 0.00 O ATOM 729 CB MET A 45 6.118 31.704 -7.326 1.00 0.00 C ATOM 730 CG MET A 45 7.627 31.930 -7.397 1.00 0.00 C ATOM 731 SD MET A 45 8.220 33.123 -6.174 1.00 0.00 S ATOM 732 CE MET A 45 9.983 32.972 -6.531 1.00 0.00 C ATOM 0 H MET A 45 3.827 30.793 -7.204 1.00 0.00 H new ATOM 0 HA MET A 45 5.940 30.766 -9.263 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.605 32.625 -7.604 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.838 31.481 -6.296 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.139 30.979 -7.247 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.890 32.280 -8.395 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.557 33.465 -5.746 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.257 31.918 -6.573 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.202 33.442 -7.490 1.00 0.00 H new ATOM 742 N GLY A 46 7.325 28.774 -8.445 1.00 0.00 N ATOM 743 CA GLY A 46 8.019 27.575 -8.014 1.00 0.00 C ATOM 744 C GLY A 46 9.489 27.607 -8.386 1.00 0.00 C ATOM 745 O GLY A 46 9.957 28.494 -9.101 1.00 0.00 O ATOM 0 H GLY A 46 7.735 29.225 -9.263 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.920 27.467 -6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.549 26.701 -8.466 1.00 0.00 H new ATOM 749 N LYS A 47 10.232 26.636 -7.868 1.00 0.00 N ATOM 750 CA LYS A 47 11.599 26.379 -8.292 1.00 0.00 C ATOM 751 C LYS A 47 11.539 25.195 -9.246 1.00 0.00 C ATOM 752 O LYS A 47 11.015 24.135 -8.894 1.00 0.00 O ATOM 753 CB LYS A 47 12.501 26.061 -7.082 1.00 0.00 C ATOM 754 CG LYS A 47 13.997 26.216 -7.411 1.00 0.00 C ATOM 755 CD LYS A 47 14.462 27.682 -7.495 1.00 0.00 C ATOM 756 CE LYS A 47 14.533 28.356 -6.116 1.00 0.00 C ATOM 757 NZ LYS A 47 15.226 29.667 -6.172 1.00 0.00 N ATOM 0 H LYS A 47 9.900 26.004 -7.140 1.00 0.00 H new ATOM 0 HA LYS A 47 12.027 27.255 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.243 26.723 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.309 25.042 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.583 25.701 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.204 25.723 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.444 27.722 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.778 28.241 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.524 28.496 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.054 27.700 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.941 30.246 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.255 29.517 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.969 30.158 -7.052 1.00 0.00 H new ATOM 771 N TRP A 48 12.056 25.369 -10.455 1.00 0.00 N ATOM 772 CA TRP A 48 12.274 24.275 -11.379 1.00 0.00 C ATOM 773 C TRP A 48 13.594 23.651 -10.928 1.00 0.00 C ATOM 774 O TRP A 48 14.657 24.259 -11.082 1.00 0.00 O ATOM 775 CB TRP A 48 12.307 24.803 -12.823 1.00 0.00 C ATOM 776 CG TRP A 48 12.399 23.782 -13.919 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.508 22.447 -13.751 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.357 23.978 -15.369 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.541 21.811 -14.964 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.461 22.704 -16.009 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.211 25.103 -16.210 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.437 22.560 -17.404 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.182 24.972 -17.612 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.300 23.704 -18.209 1.00 0.00 C ATOM 0 H TRP A 48 12.336 26.280 -10.820 1.00 0.00 H new ATOM 0 HA TRP A 48 11.480 23.529 -11.373 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.408 25.397 -12.987 1.00 0.00 H new ATOM 0 HB3 TRP A 48 13.157 25.479 -12.917 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.562 21.950 -12.794 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.616 20.800 -15.079 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.120 26.085 -15.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.523 21.582 -17.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.069 25.849 -18.232 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.285 23.609 -19.285 1.00 0.00 H new ATOM 795 N LYS A 49 13.531 22.469 -10.312 1.00 0.00 N ATOM 796 CA LYS A 49 14.691 21.668 -9.934 1.00 0.00 C ATOM 797 C LYS A 49 15.121 20.857 -11.159 1.00 0.00 C ATOM 798 O LYS A 49 14.976 19.635 -11.199 1.00 0.00 O ATOM 799 CB LYS A 49 14.326 20.783 -8.727 1.00 0.00 C ATOM 800 CG LYS A 49 14.396 21.579 -7.419 1.00 0.00 C ATOM 801 CD LYS A 49 14.120 20.682 -6.206 1.00 0.00 C ATOM 802 CE LYS A 49 14.577 21.403 -4.932 1.00 0.00 C ATOM 803 NZ LYS A 49 14.324 20.604 -3.707 1.00 0.00 N ATOM 0 H LYS A 49 12.645 22.033 -10.056 1.00 0.00 H new ATOM 0 HA LYS A 49 15.531 22.290 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.322 20.380 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.006 19.933 -8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.381 22.035 -7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.670 22.392 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.057 20.449 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.648 19.734 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.642 21.624 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.058 22.358 -4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.650 21.134 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.305 20.415 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.840 19.703 -3.768 1.00 0.00 H new ATOM 817 N LYS A 50 15.566 21.549 -12.205 1.00 0.00 N ATOM 818 CA LYS A 50 15.955 20.919 -13.461 1.00 0.00 C ATOM 819 C LYS A 50 17.188 20.055 -13.195 1.00 0.00 C ATOM 820 O LYS A 50 18.173 20.561 -12.667 1.00 0.00 O ATOM 821 CB LYS A 50 16.236 22.030 -14.487 1.00 0.00 C ATOM 822 CG LYS A 50 16.808 21.521 -15.816 1.00 0.00 C ATOM 823 CD LYS A 50 15.863 20.624 -16.628 1.00 0.00 C ATOM 824 CE LYS A 50 16.415 20.335 -18.036 1.00 0.00 C ATOM 825 NZ LYS A 50 17.768 19.721 -18.031 1.00 0.00 N ATOM 0 H LYS A 50 15.667 22.564 -12.204 1.00 0.00 H new ATOM 0 HA LYS A 50 15.170 20.278 -13.862 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.310 22.570 -14.685 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.935 22.744 -14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.085 22.380 -16.428 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.724 20.967 -15.612 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.710 19.684 -16.098 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.888 21.105 -16.712 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.726 19.671 -18.558 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.450 21.266 -18.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.993 19.369 -18.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.472 20.434 -17.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.788 18.930 -17.356 1.00 0.00 H new ATOM 839 N LYS A 51 17.186 18.774 -13.570 1.00 0.00 N ATOM 840 CA LYS A 51 18.414 17.974 -13.535 1.00 0.00 C ATOM 841 C LYS A 51 19.226 18.350 -14.777 1.00 0.00 C ATOM 842 O LYS A 51 18.693 18.252 -15.885 1.00 0.00 O ATOM 843 CB LYS A 51 18.083 16.474 -13.482 1.00 0.00 C ATOM 844 CG LYS A 51 19.351 15.640 -13.223 1.00 0.00 C ATOM 845 CD LYS A 51 19.072 14.135 -13.101 1.00 0.00 C ATOM 846 CE LYS A 51 18.259 13.794 -11.841 1.00 0.00 C ATOM 847 NZ LYS A 51 18.041 12.333 -11.692 1.00 0.00 N ATOM 0 H LYS A 51 16.360 18.273 -13.897 1.00 0.00 H new ATOM 0 HA LYS A 51 18.999 18.181 -12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.353 16.286 -12.695 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.625 16.165 -14.422 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.059 15.807 -14.034 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.827 15.990 -12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.530 13.795 -13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.017 13.593 -13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.779 14.173 -10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.295 14.301 -11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.489 12.151 -10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.522 11.973 -12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 18.960 11.850 -11.624 1.00 0.00 H new ATOM 861 N SER A 52 20.478 18.764 -14.605 1.00 0.00 N ATOM 862 CA SER A 52 21.380 19.253 -15.645 1.00 0.00 C ATOM 863 C SER A 52 22.834 18.963 -15.227 1.00 0.00 C ATOM 864 O SER A 52 23.071 18.203 -14.284 1.00 0.00 O ATOM 865 CB SER A 52 21.134 20.761 -15.846 1.00 0.00 C ATOM 866 OG SER A 52 19.958 21.005 -16.597 1.00 0.00 O ATOM 0 H SER A 52 20.916 18.768 -13.684 1.00 0.00 H new ATOM 0 HA SER A 52 21.195 18.747 -16.592 1.00 0.00 H new ATOM 0 HB2 SER A 52 21.053 21.249 -14.875 1.00 0.00 H new ATOM 0 HB3 SER A 52 21.990 21.204 -16.355 1.00 0.00 H new ATOM 0 HG SER A 52 19.832 21.971 -16.703 1.00 0.00 H new ATOM 872 N ARG A 53 23.805 19.579 -15.918 1.00 0.00 N ATOM 873 CA ARG A 53 25.257 19.438 -15.744 1.00 0.00 C ATOM 874 C ARG A 53 25.750 18.073 -16.229 1.00 0.00 C ATOM 875 O ARG A 53 24.986 17.109 -16.322 1.00 0.00 O ATOM 876 CB ARG A 53 25.724 19.682 -14.291 1.00 0.00 C ATOM 877 CG ARG A 53 25.152 20.908 -13.565 1.00 0.00 C ATOM 878 CD ARG A 53 25.919 21.105 -12.248 1.00 0.00 C ATOM 879 NE ARG A 53 25.140 21.860 -11.253 1.00 0.00 N ATOM 880 CZ ARG A 53 25.039 21.609 -9.943 1.00 0.00 C ATOM 881 NH1 ARG A 53 25.583 20.527 -9.390 1.00 0.00 N ATOM 882 NH2 ARG A 53 24.375 22.481 -9.200 1.00 0.00 N ATOM 0 H ARG A 53 23.579 20.235 -16.666 1.00 0.00 H new ATOM 0 HA ARG A 53 25.702 20.218 -16.361 1.00 0.00 H new ATOM 0 HB2 ARG A 53 25.478 18.797 -13.704 1.00 0.00 H new ATOM 0 HB3 ARG A 53 26.811 19.769 -14.296 1.00 0.00 H new ATOM 0 HG2 ARG A 53 25.244 21.795 -14.192 1.00 0.00 H new ATOM 0 HG3 ARG A 53 24.090 20.767 -13.366 1.00 0.00 H new ATOM 0 HD2 ARG A 53 26.184 20.131 -11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 53 26.853 21.630 -12.449 1.00 0.00 H new ATOM 0 HE ARG A 53 24.619 22.665 -11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 53 26.095 19.861 -9.969 1.00 0.00 H new ATOM 0 HH12 ARG A 53 25.488 20.364 -8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 53 23.963 23.308 -9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 53 24.276 22.325 -8.197 1.00 0.00 H new ATOM 896 N LYS A 54 27.061 17.962 -16.474 1.00 0.00 N ATOM 897 CA LYS A 54 27.711 16.680 -16.761 1.00 0.00 C ATOM 898 C LYS A 54 27.516 15.703 -15.595 1.00 0.00 C ATOM 899 O LYS A 54 27.406 14.498 -15.815 1.00 0.00 O ATOM 900 CB LYS A 54 29.200 16.927 -17.066 1.00 0.00 C ATOM 901 CG LYS A 54 29.929 15.667 -17.560 1.00 0.00 C ATOM 902 CD LYS A 54 31.382 15.987 -17.945 1.00 0.00 C ATOM 903 CE LYS A 54 32.126 14.769 -18.516 1.00 0.00 C ATOM 904 NZ LYS A 54 32.370 13.706 -17.507 1.00 0.00 N ATOM 0 H LYS A 54 27.699 18.758 -16.479 1.00 0.00 H new ATOM 0 HA LYS A 54 27.253 16.220 -17.637 1.00 0.00 H new ATOM 0 HB2 LYS A 54 29.286 17.709 -17.820 1.00 0.00 H new ATOM 0 HB3 LYS A 54 29.693 17.296 -16.167 1.00 0.00 H new ATOM 0 HG2 LYS A 54 29.915 14.905 -16.781 1.00 0.00 H new ATOM 0 HG3 LYS A 54 29.404 15.252 -18.420 1.00 0.00 H new ATOM 0 HD2 LYS A 54 31.390 16.791 -18.681 1.00 0.00 H new ATOM 0 HD3 LYS A 54 31.914 16.354 -17.067 1.00 0.00 H new ATOM 0 HE2 LYS A 54 31.548 14.352 -19.341 1.00 0.00 H new ATOM 0 HE3 LYS A 54 33.081 15.095 -18.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 32.874 12.913 -17.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 32.946 14.090 -16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 31.461 13.370 -17.130 1.00 0.00 H new ATOM 918 N THR A 55 27.452 16.213 -14.364 1.00 0.00 N ATOM 919 CA THR A 55 27.253 15.435 -13.151 1.00 0.00 C ATOM 920 C THR A 55 25.824 14.877 -13.013 1.00 0.00 C ATOM 921 O THR A 55 25.607 14.033 -12.141 1.00 0.00 O ATOM 922 CB THR A 55 27.661 16.314 -11.950 1.00 0.00 C ATOM 923 OG1 THR A 55 27.257 17.659 -12.135 1.00 0.00 O ATOM 924 CG2 THR A 55 29.186 16.338 -11.794 1.00 0.00 C ATOM 0 H THR A 55 27.541 17.213 -14.183 1.00 0.00 H new ATOM 0 HA THR A 55 27.883 14.547 -13.192 1.00 0.00 H new ATOM 0 HB THR A 55 27.177 15.884 -11.073 1.00 0.00 H new ATOM 0 HG1 THR A 55 26.437 17.827 -11.625 1.00 0.00 H new ATOM 0 HG21 THR A 55 29.455 16.963 -10.942 1.00 0.00 H new ATOM 0 HG22 THR A 55 29.551 15.324 -11.630 1.00 0.00 H new ATOM 0 HG23 THR A 55 29.638 16.744 -12.699 1.00 0.00 H new ATOM 932 N SER A 56 24.866 15.285 -13.861 1.00 0.00 N ATOM 933 CA SER A 56 23.457 14.902 -13.762 1.00 0.00 C ATOM 934 C SER A 56 22.912 15.216 -12.359 1.00 0.00 C ATOM 935 O SER A 56 22.491 14.332 -11.609 1.00 0.00 O ATOM 936 CB SER A 56 23.251 13.447 -14.214 1.00 0.00 C ATOM 937 OG SER A 56 23.803 13.235 -15.507 1.00 0.00 O ATOM 0 H SER A 56 25.058 15.903 -14.649 1.00 0.00 H new ATOM 0 HA SER A 56 22.864 15.503 -14.451 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.719 12.770 -13.499 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.187 13.213 -14.226 1.00 0.00 H new ATOM 0 HG SER A 56 23.662 12.303 -15.774 1.00 0.00 H new ATOM 943 N THR A 57 22.955 16.498 -12.006 1.00 0.00 N ATOM 944 CA THR A 57 22.680 17.041 -10.680 1.00 0.00 C ATOM 945 C THR A 57 21.609 18.133 -10.794 1.00 0.00 C ATOM 946 O THR A 57 21.312 18.613 -11.889 1.00 0.00 O ATOM 947 CB THR A 57 23.994 17.568 -10.070 1.00 0.00 C ATOM 948 OG1 THR A 57 24.819 18.171 -11.057 1.00 0.00 O ATOM 949 CG2 THR A 57 24.813 16.450 -9.428 1.00 0.00 C ATOM 0 H THR A 57 23.197 17.227 -12.677 1.00 0.00 H new ATOM 0 HA THR A 57 22.292 16.269 -10.015 1.00 0.00 H new ATOM 0 HB THR A 57 23.697 18.298 -9.317 1.00 0.00 H new ATOM 0 HG1 THR A 57 24.342 18.923 -11.467 1.00 0.00 H new ATOM 0 HG21 THR A 57 25.731 16.865 -9.011 1.00 0.00 H new ATOM 0 HG22 THR A 57 24.231 15.983 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 57 25.063 15.703 -10.182 1.00 0.00 H new ATOM 957 N ILE A 58 20.991 18.511 -9.676 1.00 0.00 N ATOM 958 CA ILE A 58 19.884 19.458 -9.685 1.00 0.00 C ATOM 959 C ILE A 58 20.448 20.878 -9.793 1.00 0.00 C ATOM 960 O ILE A 58 21.310 21.288 -9.012 1.00 0.00 O ATOM 961 CB ILE A 58 18.988 19.232 -8.444 1.00 0.00 C ATOM 962 CG1 ILE A 58 18.339 17.824 -8.474 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.910 20.320 -8.278 1.00 0.00 C ATOM 964 CD1 ILE A 58 17.282 17.585 -9.561 1.00 0.00 C ATOM 0 H ILE A 58 21.243 18.171 -8.748 1.00 0.00 H new ATOM 0 HA ILE A 58 19.240 19.304 -10.551 1.00 0.00 H new ATOM 0 HB ILE A 58 19.644 19.300 -7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.131 17.085 -8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.879 17.638 -7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.313 20.108 -7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.389 21.293 -8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 58 17.265 20.330 -9.156 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.902 16.567 -9.481 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.461 18.290 -9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.732 17.728 -10.544 1.00 0.00 H new ATOM 976 N GLU A 59 19.924 21.614 -10.766 1.00 0.00 N ATOM 977 CA GLU A 59 20.092 23.039 -10.967 1.00 0.00 C ATOM 978 C GLU A 59 18.740 23.640 -10.569 1.00 0.00 C ATOM 979 O GLU A 59 17.688 23.019 -10.761 1.00 0.00 O ATOM 980 CB GLU A 59 20.409 23.335 -12.445 1.00 0.00 C ATOM 981 CG GLU A 59 21.890 23.144 -12.806 1.00 0.00 C ATOM 982 CD GLU A 59 22.759 24.284 -12.253 1.00 0.00 C ATOM 983 OE1 GLU A 59 22.848 25.358 -12.892 1.00 0.00 O ATOM 984 OE2 GLU A 59 23.383 24.097 -11.185 1.00 0.00 O ATOM 0 H GLU A 59 19.330 21.197 -11.483 1.00 0.00 H new ATOM 0 HA GLU A 59 20.915 23.453 -10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.803 22.684 -13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.117 24.360 -12.672 1.00 0.00 H new ATOM 0 HG2 GLU A 59 22.242 22.192 -12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.998 23.097 -13.890 1.00 0.00 H new ATOM 991 N GLU A 60 18.754 24.846 -10.009 1.00 0.00 N ATOM 992 CA GLU A 60 17.583 25.447 -9.387 1.00 0.00 C ATOM 993 C GLU A 60 17.304 26.772 -10.083 1.00 0.00 C ATOM 994 O GLU A 60 18.088 27.720 -9.980 1.00 0.00 O ATOM 995 CB GLU A 60 17.821 25.602 -7.876 1.00 0.00 C ATOM 996 CG GLU A 60 17.788 24.238 -7.180 1.00 0.00 C ATOM 997 CD GLU A 60 17.945 24.370 -5.656 1.00 0.00 C ATOM 998 OE1 GLU A 60 19.091 24.483 -5.163 1.00 0.00 O ATOM 999 OE2 GLU A 60 16.924 24.346 -4.932 1.00 0.00 O ATOM 0 H GLU A 60 19.585 25.436 -9.975 1.00 0.00 H new ATOM 0 HA GLU A 60 16.703 24.814 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.784 26.081 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.059 26.253 -7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.847 23.737 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.586 23.609 -7.574 1.00 0.00 H new ATOM 1006 N LYS A 61 16.189 26.818 -10.813 1.00 0.00 N ATOM 1007 CA LYS A 61 15.791 27.959 -11.634 1.00 0.00 C ATOM 1008 C LYS A 61 14.467 28.465 -11.081 1.00 0.00 C ATOM 1009 O LYS A 61 13.516 27.694 -10.981 1.00 0.00 O ATOM 1010 CB LYS A 61 15.680 27.479 -13.091 1.00 0.00 C ATOM 1011 CG LYS A 61 15.270 28.573 -14.091 1.00 0.00 C ATOM 1012 CD LYS A 61 14.815 27.982 -15.437 1.00 0.00 C ATOM 1013 CE LYS A 61 15.888 27.105 -16.105 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.448 26.575 -17.422 1.00 0.00 N ATOM 0 H LYS A 61 15.524 26.046 -10.850 1.00 0.00 H new ATOM 0 HA LYS A 61 16.511 28.777 -11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.640 27.064 -13.398 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.953 26.669 -13.139 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.463 29.169 -13.665 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.111 29.247 -14.256 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.915 27.388 -15.280 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.547 28.795 -16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.799 27.688 -16.237 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.135 26.273 -15.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.127 25.860 -17.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.508 26.141 -17.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.401 27.353 -18.111 1.00 0.00 H new ATOM 1028 N THR A 62 14.397 29.723 -10.671 1.00 0.00 N ATOM 1029 CA THR A 62 13.176 30.297 -10.124 1.00 0.00 C ATOM 1030 C THR A 62 12.226 30.618 -11.280 1.00 0.00 C ATOM 1031 O THR A 62 12.625 31.298 -12.230 1.00 0.00 O ATOM 1032 CB THR A 62 13.552 31.535 -9.301 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.672 31.249 -8.479 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.407 31.926 -8.378 1.00 0.00 C ATOM 0 H THR A 62 15.182 30.373 -10.708 1.00 0.00 H new ATOM 0 HA THR A 62 12.660 29.603 -9.461 1.00 0.00 H new ATOM 0 HB THR A 62 13.775 32.343 -9.998 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.907 32.045 -7.958 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.689 32.806 -7.801 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.521 32.151 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.189 31.102 -7.699 1.00 0.00 H new ATOM 1042 N VAL A 63 10.978 30.146 -11.213 1.00 0.00 N ATOM 1043 CA VAL A 63 10.027 30.257 -12.308 1.00 0.00 C ATOM 1044 C VAL A 63 8.634 30.604 -11.777 1.00 0.00 C ATOM 1045 O VAL A 63 8.303 30.376 -10.612 1.00 0.00 O ATOM 1046 CB VAL A 63 9.983 28.958 -13.152 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.341 28.566 -13.752 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.453 27.736 -12.384 1.00 0.00 C ATOM 0 H VAL A 63 10.603 29.674 -10.390 1.00 0.00 H new ATOM 0 HA VAL A 63 10.361 31.064 -12.960 1.00 0.00 H new ATOM 0 HB VAL A 63 9.288 29.217 -13.951 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.232 27.648 -14.329 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.695 29.365 -14.404 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.061 28.407 -12.949 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.452 26.866 -13.041 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.094 27.541 -11.524 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.437 27.934 -12.042 1.00 0.00 H new ATOM 1058 N GLU A 64 7.805 31.145 -12.656 1.00 0.00 N ATOM 1059 CA GLU A 64 6.381 31.340 -12.440 1.00 0.00 C ATOM 1060 C GLU A 64 5.714 30.285 -13.315 1.00 0.00 C ATOM 1061 O GLU A 64 5.991 30.235 -14.513 1.00 0.00 O ATOM 1062 CB GLU A 64 5.967 32.768 -12.832 1.00 0.00 C ATOM 1063 CG GLU A 64 4.472 33.006 -12.579 1.00 0.00 C ATOM 1064 CD GLU A 64 4.096 34.487 -12.765 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.953 34.949 -13.920 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.925 35.204 -11.753 1.00 0.00 O ATOM 0 H GLU A 64 8.117 31.471 -13.571 1.00 0.00 H new ATOM 0 HA GLU A 64 6.089 31.231 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.553 33.488 -12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.191 32.937 -13.885 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.884 32.392 -13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.218 32.690 -11.567 1.00 0.00 H new ATOM 1073 N VAL A 65 4.887 29.415 -12.741 1.00 0.00 N ATOM 1074 CA VAL A 65 4.101 28.455 -13.505 1.00 0.00 C ATOM 1075 C VAL A 65 2.829 29.170 -13.944 1.00 0.00 C ATOM 1076 O VAL A 65 2.162 29.806 -13.124 1.00 0.00 O ATOM 1077 CB VAL A 65 3.840 27.125 -12.751 1.00 0.00 C ATOM 1078 CG1 VAL A 65 5.025 26.693 -11.867 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.540 27.028 -11.943 1.00 0.00 C ATOM 0 H VAL A 65 4.744 29.357 -11.733 1.00 0.00 H new ATOM 0 HA VAL A 65 4.662 28.127 -14.380 1.00 0.00 H new ATOM 0 HB VAL A 65 3.718 26.430 -13.582 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.782 25.756 -11.365 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.910 26.554 -12.488 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.222 27.463 -11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.480 26.050 -11.466 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.528 27.805 -11.179 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.687 27.160 -12.609 1.00 0.00 H new ATOM 1089 N LEU A 66 2.494 29.081 -15.228 1.00 0.00 N ATOM 1090 CA LEU A 66 1.314 29.731 -15.782 1.00 0.00 C ATOM 1091 C LEU A 66 0.095 28.817 -15.660 1.00 0.00 C ATOM 1092 O LEU A 66 -1.033 29.307 -15.589 1.00 0.00 O ATOM 1093 CB LEU A 66 1.541 30.126 -17.254 1.00 0.00 C ATOM 1094 CG LEU A 66 2.651 31.165 -17.532 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.617 32.353 -16.562 1.00 0.00 C ATOM 1096 CD2 LEU A 66 4.057 30.554 -17.519 1.00 0.00 C ATOM 0 H LEU A 66 3.035 28.555 -15.914 1.00 0.00 H new ATOM 0 HA LEU A 66 1.129 30.641 -15.210 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.773 29.222 -17.817 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.603 30.516 -17.650 1.00 0.00 H new ATOM 0 HG LEU A 66 2.435 31.528 -18.537 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.420 33.047 -16.809 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.658 32.864 -16.646 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.749 31.993 -15.542 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.794 31.332 -17.720 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.253 30.113 -16.542 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.125 29.782 -18.286 1.00 0.00 H new ATOM 1108 N GLY A 67 0.310 27.501 -15.620 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.727 26.499 -15.556 1.00 0.00 C ATOM 1110 C GLY A 67 -0.142 25.155 -15.951 1.00 0.00 C ATOM 1111 O GLY A 67 1.030 25.057 -16.322 1.00 0.00 O ATOM 0 H GLY A 67 1.248 27.101 -15.632 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.140 26.448 -14.548 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.547 26.763 -16.223 1.00 0.00 H new ATOM 1115 N MET A 68 -0.959 24.113 -15.862 1.00 0.00 N ATOM 1116 CA MET A 68 -0.606 22.804 -16.398 1.00 0.00 C ATOM 1117 C MET A 68 -0.461 22.889 -17.920 1.00 0.00 C ATOM 1118 O MET A 68 -1.119 23.704 -18.576 1.00 0.00 O ATOM 1119 CB MET A 68 -1.640 21.747 -16.001 1.00 0.00 C ATOM 1120 CG MET A 68 -1.619 21.494 -14.489 1.00 0.00 C ATOM 1121 SD MET A 68 -2.757 20.199 -13.943 1.00 0.00 S ATOM 1122 CE MET A 68 -1.863 18.713 -14.465 1.00 0.00 C ATOM 0 H MET A 68 -1.878 24.150 -15.420 1.00 0.00 H new ATOM 0 HA MET A 68 0.350 22.499 -15.972 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.634 22.075 -16.304 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.436 20.817 -16.531 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.606 21.223 -14.191 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.866 22.422 -13.972 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.517 17.845 -14.377 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.546 18.825 -15.502 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.988 18.573 -13.831 1.00 0.00 H new ATOM 1132 N ALA A 69 0.397 22.032 -18.477 1.00 0.00 N ATOM 1133 CA ALA A 69 0.489 21.832 -19.920 1.00 0.00 C ATOM 1134 C ALA A 69 -0.820 21.191 -20.427 1.00 0.00 C ATOM 1135 O ALA A 69 -1.601 20.703 -19.605 1.00 0.00 O ATOM 1136 CB ALA A 69 1.695 20.933 -20.214 1.00 0.00 C ATOM 0 H ALA A 69 1.046 21.459 -17.939 1.00 0.00 H new ATOM 0 HA ALA A 69 0.626 22.783 -20.435 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.777 20.774 -21.289 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.603 21.411 -19.848 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.564 19.973 -19.715 1.00 0.00 H new ATOM 1142 N PRO A 70 -1.082 21.154 -21.748 1.00 0.00 N ATOM 1143 CA PRO A 70 -2.217 20.425 -22.305 1.00 0.00 C ATOM 1144 C PRO A 70 -2.286 18.977 -21.806 1.00 0.00 C ATOM 1145 O PRO A 70 -1.254 18.333 -21.591 1.00 0.00 O ATOM 1146 CB PRO A 70 -2.037 20.480 -23.826 1.00 0.00 C ATOM 1147 CG PRO A 70 -1.233 21.761 -24.039 1.00 0.00 C ATOM 1148 CD PRO A 70 -0.328 21.804 -22.809 1.00 0.00 C ATOM 0 HA PRO A 70 -3.157 20.877 -21.989 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.506 19.605 -24.200 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.996 20.516 -24.343 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.657 21.727 -24.964 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.878 22.638 -24.097 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.613 21.286 -22.996 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.079 22.831 -22.541 1.00 0.00 H new ATOM 1156 N ASP A 71 -3.500 18.429 -21.710 1.00 0.00 N ATOM 1157 CA ASP A 71 -3.712 17.028 -21.341 1.00 0.00 C ATOM 1158 C ASP A 71 -2.986 16.084 -22.303 1.00 0.00 C ATOM 1159 O ASP A 71 -2.519 15.030 -21.880 1.00 0.00 O ATOM 1160 CB ASP A 71 -5.206 16.672 -21.279 1.00 0.00 C ATOM 1161 CG ASP A 71 -5.823 16.396 -22.661 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -6.067 17.364 -23.415 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -6.093 15.219 -22.989 1.00 0.00 O ATOM 0 H ASP A 71 -4.363 18.944 -21.886 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.293 16.899 -20.343 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.337 15.793 -20.648 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.748 17.489 -20.803 1.00 0.00 H new ATOM 1168 N ASP A 72 -2.826 16.487 -23.569 1.00 0.00 N ATOM 1169 CA ASP A 72 -2.136 15.711 -24.598 1.00 0.00 C ATOM 1170 C ASP A 72 -0.643 15.533 -24.297 1.00 0.00 C ATOM 1171 O ASP A 72 -0.039 14.544 -24.712 1.00 0.00 O ATOM 1172 CB ASP A 72 -2.317 16.386 -25.962 1.00 0.00 C ATOM 1173 CG ASP A 72 -1.671 15.559 -27.087 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -2.176 14.457 -27.400 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -0.692 16.030 -27.707 1.00 0.00 O ATOM 0 H ASP A 72 -3.181 17.380 -23.910 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.582 14.717 -24.610 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.380 16.515 -26.168 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.873 17.381 -25.939 1.00 0.00 H new ATOM 1180 N GLU A 73 -0.042 16.463 -23.548 1.00 0.00 N ATOM 1181 CA GLU A 73 1.330 16.328 -23.064 1.00 0.00 C ATOM 1182 C GLU A 73 1.358 15.450 -21.808 1.00 0.00 C ATOM 1183 O GLU A 73 2.315 14.712 -21.582 1.00 0.00 O ATOM 1184 CB GLU A 73 1.921 17.708 -22.718 1.00 0.00 C ATOM 1185 CG GLU A 73 2.013 18.680 -23.904 1.00 0.00 C ATOM 1186 CD GLU A 73 2.909 18.159 -25.044 1.00 0.00 C ATOM 1187 OE1 GLU A 73 4.105 17.872 -24.810 1.00 0.00 O ATOM 1188 OE2 GLU A 73 2.438 18.067 -26.200 1.00 0.00 O ATOM 0 H GLU A 73 -0.496 17.330 -23.262 1.00 0.00 H new ATOM 0 HA GLU A 73 1.925 15.868 -23.853 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.312 18.164 -21.938 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.919 17.567 -22.302 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.012 18.865 -24.293 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.401 19.636 -23.553 1.00 0.00 H new ATOM 1195 N CYS A 74 0.294 15.492 -21.002 1.00 0.00 N ATOM 1196 CA CYS A 74 0.248 14.899 -19.672 1.00 0.00 C ATOM 1197 C CYS A 74 -0.130 13.409 -19.685 1.00 0.00 C ATOM 1198 O CYS A 74 -0.678 12.892 -18.711 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.673 15.733 -18.774 1.00 0.00 C ATOM 1200 SG CYS A 74 -0.059 17.443 -18.665 1.00 0.00 S ATOM 0 H CYS A 74 -0.578 15.951 -21.267 1.00 0.00 H new ATOM 0 HA CYS A 74 1.256 14.922 -19.257 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.687 15.727 -19.174 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.721 15.291 -17.779 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.390 18.093 -19.741 1.00 0.00 H new ATOM 1206 N LEU A 75 0.125 12.712 -20.797 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.267 11.320 -21.005 1.00 0.00 C ATOM 1208 C LEU A 75 0.590 10.337 -20.199 1.00 0.00 C ATOM 1209 O LEU A 75 0.179 9.192 -20.011 1.00 0.00 O ATOM 1210 CB LEU A 75 -0.162 10.976 -22.508 1.00 0.00 C ATOM 1211 CG LEU A 75 -1.501 10.743 -23.225 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -2.285 9.564 -22.635 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -2.373 11.998 -23.264 1.00 0.00 C ATOM 0 H LEU A 75 0.621 13.112 -21.594 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.294 11.218 -20.656 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.365 11.785 -23.013 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.450 10.080 -22.617 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.240 10.489 -24.252 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.223 9.443 -23.177 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.694 8.653 -22.724 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.497 9.758 -21.583 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.306 11.777 -23.782 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.591 12.322 -22.246 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.845 12.792 -23.792 1.00 0.00 H new ATOM 1225 N LYS A 76 1.783 10.757 -19.761 1.00 0.00 N ATOM 1226 CA LYS A 76 2.799 9.878 -19.167 1.00 0.00 C ATOM 1227 C LYS A 76 3.401 10.443 -17.881 1.00 0.00 C ATOM 1228 O LYS A 76 3.905 9.688 -17.052 1.00 0.00 O ATOM 1229 CB LYS A 76 3.935 9.621 -20.179 1.00 0.00 C ATOM 1230 CG LYS A 76 3.523 8.923 -21.486 1.00 0.00 C ATOM 1231 CD LYS A 76 3.045 7.478 -21.281 1.00 0.00 C ATOM 1232 CE LYS A 76 2.731 6.840 -22.642 1.00 0.00 C ATOM 1233 NZ LYS A 76 2.306 5.423 -22.516 1.00 0.00 N ATOM 0 H LYS A 76 2.075 11.733 -19.810 1.00 0.00 H new ATOM 0 HA LYS A 76 2.290 8.948 -18.913 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.396 10.577 -20.429 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.700 9.016 -19.692 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.727 9.497 -21.961 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.370 8.924 -22.172 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.812 6.900 -20.766 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.157 7.464 -20.648 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.944 7.410 -23.135 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.613 6.897 -23.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.105 5.036 -23.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.066 4.871 -22.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.449 5.369 -21.930 1.00 0.00 H new ATOM 1247 N ASP A 77 3.357 11.756 -17.699 1.00 0.00 N ATOM 1248 CA ASP A 77 3.878 12.479 -16.543 1.00 0.00 C ATOM 1249 C ASP A 77 3.080 13.777 -16.493 1.00 0.00 C ATOM 1250 O ASP A 77 2.477 14.157 -17.499 1.00 0.00 O ATOM 1251 CB ASP A 77 5.385 12.735 -16.723 1.00 0.00 C ATOM 1252 CG ASP A 77 6.105 13.317 -15.492 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.480 13.553 -14.435 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.339 13.498 -15.577 1.00 0.00 O ATOM 0 H ASP A 77 2.936 12.379 -18.388 1.00 0.00 H new ATOM 0 HA ASP A 77 3.773 11.923 -15.611 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.867 11.796 -16.995 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.523 13.418 -17.561 1.00 0.00 H new ATOM 1259 N MET A 78 3.014 14.436 -15.345 1.00 0.00 N ATOM 1260 CA MET A 78 2.352 15.733 -15.237 1.00 0.00 C ATOM 1261 C MET A 78 3.338 16.824 -15.668 1.00 0.00 C ATOM 1262 O MET A 78 4.528 16.740 -15.356 1.00 0.00 O ATOM 1263 CB MET A 78 1.858 15.943 -13.801 1.00 0.00 C ATOM 1264 CG MET A 78 0.763 14.950 -13.390 1.00 0.00 C ATOM 1265 SD MET A 78 -0.803 15.051 -14.309 1.00 0.00 S ATOM 1266 CE MET A 78 -0.599 13.661 -15.459 1.00 0.00 C ATOM 0 H MET A 78 3.412 14.094 -14.470 1.00 0.00 H new ATOM 0 HA MET A 78 1.481 15.777 -15.891 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.701 15.850 -13.116 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.476 16.959 -13.699 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.159 13.940 -13.498 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.548 15.096 -12.331 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.531 13.496 -15.999 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.196 13.890 -16.169 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.339 12.762 -14.900 1.00 0.00 H new ATOM 1276 N TYR A 79 2.854 17.876 -16.337 1.00 0.00 N ATOM 1277 CA TYR A 79 3.683 18.966 -16.860 1.00 0.00 C ATOM 1278 C TYR A 79 2.998 20.312 -16.628 1.00 0.00 C ATOM 1279 O TYR A 79 1.774 20.382 -16.485 1.00 0.00 O ATOM 1280 CB TYR A 79 3.939 18.789 -18.367 1.00 0.00 C ATOM 1281 CG TYR A 79 4.748 17.583 -18.798 1.00 0.00 C ATOM 1282 CD1 TYR A 79 4.092 16.369 -19.062 1.00 0.00 C ATOM 1283 CD2 TYR A 79 6.134 17.692 -19.027 1.00 0.00 C ATOM 1284 CE1 TYR A 79 4.809 15.257 -19.530 1.00 0.00 C ATOM 1285 CE2 TYR A 79 6.857 16.587 -19.515 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.200 15.358 -19.756 1.00 0.00 C ATOM 1287 OH TYR A 79 6.908 14.283 -20.207 1.00 0.00 O ATOM 0 H TYR A 79 1.860 17.995 -16.533 1.00 0.00 H new ATOM 0 HA TYR A 79 4.636 18.941 -16.331 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.973 18.744 -18.870 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.447 19.683 -18.730 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.027 16.291 -18.903 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.642 18.624 -18.828 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.298 14.324 -19.717 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.916 16.678 -19.706 1.00 0.00 H new ATOM 0 HH TYR A 79 7.851 14.531 -20.308 1.00 0.00 H new ATOM 1297 N VAL A 80 3.789 21.383 -16.635 1.00 0.00 N ATOM 1298 CA VAL A 80 3.364 22.746 -16.353 1.00 0.00 C ATOM 1299 C VAL A 80 4.111 23.679 -17.301 1.00 0.00 C ATOM 1300 O VAL A 80 5.292 23.471 -17.578 1.00 0.00 O ATOM 1301 CB VAL A 80 3.616 23.109 -14.869 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.517 22.552 -13.953 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.976 22.628 -14.331 1.00 0.00 C ATOM 0 H VAL A 80 4.785 21.318 -16.847 1.00 0.00 H new ATOM 0 HA VAL A 80 2.291 22.849 -16.516 1.00 0.00 H new ATOM 0 HB VAL A 80 3.610 24.199 -14.854 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.730 22.828 -12.920 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.553 22.966 -14.248 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.487 21.466 -14.040 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.078 22.920 -13.286 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.036 21.543 -14.412 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.778 23.080 -14.914 1.00 0.00 H new ATOM 1313 N GLU A 81 3.420 24.691 -17.818 1.00 0.00 N ATOM 1314 CA GLU A 81 4.043 25.776 -18.560 1.00 0.00 C ATOM 1315 C GLU A 81 4.653 26.719 -17.526 1.00 0.00 C ATOM 1316 O GLU A 81 3.995 27.043 -16.532 1.00 0.00 O ATOM 1317 CB GLU A 81 3.005 26.516 -19.415 1.00 0.00 C ATOM 1318 CG GLU A 81 2.446 25.629 -20.535 1.00 0.00 C ATOM 1319 CD GLU A 81 1.536 26.428 -21.485 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.342 26.633 -21.170 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.002 26.847 -22.570 1.00 0.00 O ATOM 0 H GLU A 81 2.407 24.779 -17.732 1.00 0.00 H new ATOM 0 HA GLU A 81 4.804 25.394 -19.240 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.187 26.856 -18.779 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.461 27.405 -19.850 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.269 25.192 -21.100 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.884 24.803 -20.100 1.00 0.00 H new ATOM 1328 N VAL A 82 5.886 27.173 -17.743 1.00 0.00 N ATOM 1329 CA VAL A 82 6.616 27.985 -16.776 1.00 0.00 C ATOM 1330 C VAL A 82 7.368 29.100 -17.498 1.00 0.00 C ATOM 1331 O VAL A 82 7.786 28.923 -18.640 1.00 0.00 O ATOM 1332 CB VAL A 82 7.549 27.111 -15.902 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.818 25.942 -15.224 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.755 26.531 -16.658 1.00 0.00 C ATOM 0 H VAL A 82 6.408 26.986 -18.599 1.00 0.00 H new ATOM 0 HA VAL A 82 5.906 28.452 -16.093 1.00 0.00 H new ATOM 0 HB VAL A 82 7.908 27.813 -15.150 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.526 25.368 -14.626 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.030 26.331 -14.579 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.379 25.297 -15.985 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.358 25.932 -15.976 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.404 25.904 -17.478 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.360 27.345 -17.057 1.00 0.00 H new ATOM 1344 N ALA A 83 7.587 30.231 -16.835 1.00 0.00 N ATOM 1345 CA ALA A 83 8.369 31.348 -17.337 1.00 0.00 C ATOM 1346 C ALA A 83 9.460 31.610 -16.309 1.00 0.00 C ATOM 1347 O ALA A 83 9.194 31.629 -15.106 1.00 0.00 O ATOM 1348 CB ALA A 83 7.480 32.580 -17.527 1.00 0.00 C ATOM 0 H ALA A 83 7.211 30.398 -15.902 1.00 0.00 H new ATOM 0 HA ALA A 83 8.805 31.122 -18.310 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.081 33.408 -17.903 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.689 32.351 -18.241 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.036 32.859 -16.571 1.00 0.00 H new ATOM 1354 N ASP A 84 10.691 31.770 -16.781 1.00 0.00 N ATOM 1355 CA ASP A 84 11.846 32.041 -15.930 1.00 0.00 C ATOM 1356 C ASP A 84 11.670 33.420 -15.286 1.00 0.00 C ATOM 1357 O ASP A 84 11.337 34.376 -15.987 1.00 0.00 O ATOM 1358 CB ASP A 84 13.117 31.941 -16.791 1.00 0.00 C ATOM 1359 CG ASP A 84 14.432 31.992 -15.996 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.471 32.594 -14.905 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.438 31.433 -16.486 1.00 0.00 O ATOM 0 H ASP A 84 10.919 31.715 -17.774 1.00 0.00 H new ATOM 0 HA ASP A 84 11.935 31.315 -15.122 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.085 31.010 -17.356 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.114 32.755 -17.516 1.00 0.00 H new ATOM 1366 N ILE A 85 11.851 33.523 -13.964 1.00 0.00 N ATOM 1367 CA ILE A 85 11.813 34.795 -13.240 1.00 0.00 C ATOM 1368 C ILE A 85 13.253 35.294 -13.058 1.00 0.00 C ATOM 1369 O ILE A 85 13.541 36.457 -13.349 1.00 0.00 O ATOM 1370 CB ILE A 85 11.100 34.646 -11.872 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.677 34.053 -11.982 1.00 0.00 C ATOM 1372 CG2 ILE A 85 11.002 36.010 -11.161 1.00 0.00 C ATOM 1373 CD1 ILE A 85 9.046 33.750 -10.613 1.00 0.00 C ATOM 0 H ILE A 85 12.029 32.718 -13.364 1.00 0.00 H new ATOM 0 HA ILE A 85 11.240 35.522 -13.816 1.00 0.00 H new ATOM 0 HB ILE A 85 11.711 33.950 -11.298 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.039 34.751 -12.524 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.716 33.136 -12.569 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.498 35.885 -10.202 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.004 36.407 -10.996 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.434 36.704 -11.781 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.048 33.336 -10.756 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.665 33.029 -10.079 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.977 34.670 -10.032 1.00 0.00 H new ATOM 1385 N GLY A 86 14.155 34.429 -12.578 1.00 0.00 N ATOM 1386 CA GLY A 86 15.507 34.805 -12.170 1.00 0.00 C ATOM 1387 C GLY A 86 16.366 35.312 -13.333 1.00 0.00 C ATOM 1388 O GLY A 86 17.267 36.127 -13.123 1.00 0.00 O ATOM 0 H GLY A 86 13.960 33.435 -12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.447 35.580 -11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.995 33.944 -11.714 1.00 0.00 H new ATOM 1392 N GLY A 87 16.068 34.868 -14.553 1.00 0.00 N ATOM 1393 CA GLY A 87 16.766 35.212 -15.780 1.00 0.00 C ATOM 1394 C GLY A 87 15.782 35.220 -16.942 1.00 0.00 C ATOM 1395 O GLY A 87 16.007 34.539 -17.945 1.00 0.00 O ATOM 0 H GLY A 87 15.292 34.226 -14.715 1.00 0.00 H new ATOM 0 HA2 GLY A 87 17.236 36.191 -15.681 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.563 34.494 -15.970 1.00 0.00 H new ATOM 1399 N LYS A 88 14.660 35.935 -16.778 1.00 0.00 N ATOM 1400 CA LYS A 88 13.626 36.063 -17.805 1.00 0.00 C ATOM 1401 C LYS A 88 14.205 36.466 -19.162 1.00 0.00 C ATOM 1402 O LYS A 88 15.184 37.211 -19.242 1.00 0.00 O ATOM 1403 CB LYS A 88 12.488 37.014 -17.371 1.00 0.00 C ATOM 1404 CG LYS A 88 12.762 38.531 -17.419 1.00 0.00 C ATOM 1405 CD LYS A 88 13.861 39.012 -16.455 1.00 0.00 C ATOM 1406 CE LYS A 88 13.944 40.545 -16.375 1.00 0.00 C ATOM 1407 NZ LYS A 88 14.424 41.172 -17.633 1.00 0.00 N ATOM 0 H LYS A 88 14.446 36.444 -15.920 1.00 0.00 H new ATOM 0 HA LYS A 88 13.189 35.072 -17.925 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.622 36.810 -18.001 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.207 36.756 -16.350 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.043 38.805 -18.436 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.838 39.062 -17.190 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.669 38.609 -15.460 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.823 38.616 -16.779 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.959 40.943 -16.131 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.612 40.824 -15.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.458 42.205 -17.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.376 40.818 -17.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.775 40.933 -18.410 1.00 0.00 H new ATOM 1421 N ASP A 89 13.524 36.033 -20.221 1.00 0.00 N ATOM 1422 CA ASP A 89 13.843 36.364 -21.613 1.00 0.00 C ATOM 1423 C ASP A 89 12.560 36.721 -22.378 1.00 0.00 C ATOM 1424 O ASP A 89 12.493 36.599 -23.600 1.00 0.00 O ATOM 1425 CB ASP A 89 14.618 35.199 -22.251 1.00 0.00 C ATOM 1426 CG ASP A 89 15.181 35.548 -23.643 1.00 0.00 C ATOM 1427 OD1 ASP A 89 15.828 36.610 -23.795 1.00 0.00 O ATOM 1428 OD2 ASP A 89 15.051 34.727 -24.579 1.00 0.00 O ATOM 0 H ASP A 89 12.710 35.424 -20.134 1.00 0.00 H new ATOM 0 HA ASP A 89 14.486 37.243 -21.656 1.00 0.00 H new ATOM 0 HB2 ASP A 89 15.439 34.911 -21.594 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.960 34.334 -22.337 1.00 0.00 H new ATOM 1433 N ASP A 90 11.521 37.143 -21.638 1.00 0.00 N ATOM 1434 CA ASP A 90 10.155 37.386 -22.128 1.00 0.00 C ATOM 1435 C ASP A 90 9.620 36.192 -22.930 1.00 0.00 C ATOM 1436 O ASP A 90 8.951 36.323 -23.957 1.00 0.00 O ATOM 1437 CB ASP A 90 10.098 38.710 -22.890 1.00 0.00 C ATOM 1438 CG ASP A 90 8.661 39.130 -23.253 1.00 0.00 C ATOM 1439 OD1 ASP A 90 7.761 39.075 -22.384 1.00 0.00 O ATOM 1440 OD2 ASP A 90 8.432 39.585 -24.398 1.00 0.00 O ATOM 0 H ASP A 90 11.615 37.332 -20.640 1.00 0.00 H new ATOM 0 HA ASP A 90 9.483 37.482 -21.275 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.558 39.492 -22.285 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.688 38.624 -23.803 1.00 0.00 H new ATOM 1445 N ASP A 91 9.976 35.001 -22.454 1.00 0.00 N ATOM 1446 CA ASP A 91 9.712 33.713 -23.091 1.00 0.00 C ATOM 1447 C ASP A 91 9.251 32.693 -22.044 1.00 0.00 C ATOM 1448 O ASP A 91 9.421 32.899 -20.838 1.00 0.00 O ATOM 1449 CB ASP A 91 10.969 33.236 -23.842 1.00 0.00 C ATOM 1450 CG ASP A 91 10.717 32.001 -24.726 1.00 0.00 C ATOM 1451 OD1 ASP A 91 9.581 31.820 -25.222 1.00 0.00 O ATOM 1452 OD2 ASP A 91 11.670 31.227 -24.967 1.00 0.00 O ATOM 0 H ASP A 91 10.480 34.903 -21.573 1.00 0.00 H new ATOM 0 HA ASP A 91 8.909 33.821 -23.820 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.343 34.049 -24.464 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.750 33.003 -23.118 1.00 0.00 H new ATOM 1457 N VAL A 92 8.651 31.600 -22.511 1.00 0.00 N ATOM 1458 CA VAL A 92 7.947 30.604 -21.711 1.00 0.00 C ATOM 1459 C VAL A 92 8.398 29.210 -22.180 1.00 0.00 C ATOM 1460 O VAL A 92 8.812 29.021 -23.328 1.00 0.00 O ATOM 1461 CB VAL A 92 6.416 30.813 -21.840 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.609 29.988 -20.825 1.00 0.00 C ATOM 1463 CG2 VAL A 92 5.987 32.284 -21.664 1.00 0.00 C ATOM 0 H VAL A 92 8.643 31.375 -23.506 1.00 0.00 H new ATOM 0 HA VAL A 92 8.186 30.704 -20.652 1.00 0.00 H new ATOM 0 HB VAL A 92 6.198 30.479 -22.855 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.545 30.178 -20.966 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.812 28.928 -20.975 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.897 30.273 -19.813 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.905 32.362 -21.766 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.285 32.634 -20.676 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.468 32.897 -22.426 1.00 0.00 H new ATOM 1473 N TYR A 93 8.309 28.241 -21.274 1.00 0.00 N ATOM 1474 CA TYR A 93 8.853 26.896 -21.377 1.00 0.00 C ATOM 1475 C TYR A 93 7.837 25.901 -20.798 1.00 0.00 C ATOM 1476 O TYR A 93 6.763 26.294 -20.336 1.00 0.00 O ATOM 1477 CB TYR A 93 10.178 26.839 -20.586 1.00 0.00 C ATOM 1478 CG TYR A 93 11.157 27.967 -20.871 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.051 27.874 -21.955 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.154 29.123 -20.063 1.00 0.00 C ATOM 1481 CE1 TYR A 93 12.938 28.929 -22.233 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.031 30.186 -20.341 1.00 0.00 C ATOM 1483 CZ TYR A 93 12.931 30.092 -21.429 1.00 0.00 C ATOM 1484 OH TYR A 93 13.798 31.107 -21.705 1.00 0.00 O ATOM 0 H TYR A 93 7.822 28.387 -20.390 1.00 0.00 H new ATOM 0 HA TYR A 93 9.046 26.636 -22.418 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.946 26.842 -19.521 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.670 25.891 -20.802 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.055 26.990 -22.575 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.474 29.192 -19.226 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.626 28.851 -23.062 1.00 0.00 H new ATOM 0 HE2 TYR A 93 12.018 31.073 -19.725 1.00 0.00 H new ATOM 0 HH TYR A 93 13.666 31.834 -21.061 1.00 0.00 H new ATOM 1494 N THR A 94 8.207 24.622 -20.765 1.00 0.00 N ATOM 1495 CA THR A 94 7.447 23.573 -20.090 1.00 0.00 C ATOM 1496 C THR A 94 8.414 22.805 -19.188 1.00 0.00 C ATOM 1497 O THR A 94 9.551 22.531 -19.582 1.00 0.00 O ATOM 1498 CB THR A 94 6.731 22.662 -21.111 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.197 23.408 -22.194 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.570 21.891 -20.476 1.00 0.00 C ATOM 0 H THR A 94 9.057 24.281 -21.214 1.00 0.00 H new ATOM 0 HA THR A 94 6.655 24.003 -19.477 1.00 0.00 H new ATOM 0 HB THR A 94 7.492 21.967 -21.466 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.753 22.801 -22.822 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.095 21.263 -21.230 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.948 21.265 -19.668 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.840 22.596 -20.078 1.00 0.00 H new ATOM 1508 N ALA A 95 7.949 22.458 -17.990 1.00 0.00 N ATOM 1509 CA ALA A 95 8.664 21.681 -16.991 1.00 0.00 C ATOM 1510 C ALA A 95 7.755 20.530 -16.563 1.00 0.00 C ATOM 1511 O ALA A 95 6.541 20.573 -16.791 1.00 0.00 O ATOM 1512 CB ALA A 95 9.017 22.583 -15.804 1.00 0.00 C ATOM 0 H ALA A 95 7.016 22.727 -17.678 1.00 0.00 H new ATOM 0 HA ALA A 95 9.595 21.279 -17.391 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.553 22.003 -15.053 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.647 23.404 -16.146 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.102 22.984 -15.367 1.00 0.00 H new ATOM 1518 N LYS A 96 8.320 19.494 -15.949 1.00 0.00 N ATOM 1519 CA LYS A 96 7.522 18.413 -15.404 1.00 0.00 C ATOM 1520 C LYS A 96 7.093 18.852 -14.015 1.00 0.00 C ATOM 1521 O LYS A 96 7.871 19.464 -13.286 1.00 0.00 O ATOM 1522 CB LYS A 96 8.362 17.133 -15.315 1.00 0.00 C ATOM 1523 CG LYS A 96 8.810 16.615 -16.691 1.00 0.00 C ATOM 1524 CD LYS A 96 10.018 15.675 -16.611 1.00 0.00 C ATOM 1525 CE LYS A 96 11.311 16.441 -16.294 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.506 15.559 -16.295 1.00 0.00 N ATOM 0 H LYS A 96 9.326 19.385 -15.819 1.00 0.00 H new ATOM 0 HA LYS A 96 6.659 18.201 -16.035 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.242 17.324 -14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.783 16.359 -14.812 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.979 16.091 -17.164 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.058 17.463 -17.330 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.843 14.922 -15.843 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.131 15.145 -17.557 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.449 17.236 -17.027 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.217 16.920 -15.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.353 16.122 -16.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.389 14.815 -15.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.614 15.122 -17.232 1.00 0.00 H new ATOM 1540 N LEU A 97 5.885 18.491 -13.592 1.00 0.00 N ATOM 1541 CA LEU A 97 5.512 18.668 -12.189 1.00 0.00 C ATOM 1542 C LEU A 97 6.468 17.816 -11.335 1.00 0.00 C ATOM 1543 O LEU A 97 6.831 18.199 -10.229 1.00 0.00 O ATOM 1544 CB LEU A 97 4.046 18.271 -11.959 1.00 0.00 C ATOM 1545 CG LEU A 97 3.456 18.847 -10.655 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.307 20.374 -10.735 1.00 0.00 C ATOM 1547 CD2 LEU A 97 2.074 18.234 -10.410 1.00 0.00 C ATOM 0 H LEU A 97 5.161 18.083 -14.184 1.00 0.00 H new ATOM 0 HA LEU A 97 5.600 19.716 -11.903 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.447 18.613 -12.803 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.971 17.184 -11.935 1.00 0.00 H new ATOM 0 HG LEU A 97 4.138 18.603 -9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.889 20.748 -9.801 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.284 20.827 -10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.642 20.632 -11.559 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.654 18.639 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.416 18.474 -11.245 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.167 17.152 -10.321 1.00 0.00 H new ATOM 1559 N SER A 98 6.936 16.699 -11.905 1.00 0.00 N ATOM 1560 CA SER A 98 7.953 15.810 -11.364 1.00 0.00 C ATOM 1561 C SER A 98 9.339 16.453 -11.166 1.00 0.00 C ATOM 1562 O SER A 98 10.167 15.855 -10.478 1.00 0.00 O ATOM 1563 CB SER A 98 8.037 14.603 -12.304 1.00 0.00 C ATOM 1564 OG SER A 98 6.810 13.907 -12.248 1.00 0.00 O ATOM 0 H SER A 98 6.590 16.379 -12.810 1.00 0.00 H new ATOM 0 HA SER A 98 7.652 15.527 -10.355 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.241 14.930 -13.324 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.858 13.949 -12.009 1.00 0.00 H new ATOM 0 HG SER A 98 6.408 13.881 -13.141 1.00 0.00 H new ATOM 1570 N ASP A 99 9.617 17.642 -11.719 1.00 0.00 N ATOM 1571 CA ASP A 99 10.865 18.379 -11.484 1.00 0.00 C ATOM 1572 C ASP A 99 10.617 19.850 -11.133 1.00 0.00 C ATOM 1573 O ASP A 99 11.532 20.670 -11.152 1.00 0.00 O ATOM 1574 CB ASP A 99 11.898 18.146 -12.603 1.00 0.00 C ATOM 1575 CG ASP A 99 11.796 18.965 -13.895 1.00 0.00 C ATOM 1576 OD1 ASP A 99 10.707 19.427 -14.290 1.00 0.00 O ATOM 1577 OD2 ASP A 99 12.835 19.067 -14.588 1.00 0.00 O ATOM 0 H ASP A 99 8.975 18.123 -12.348 1.00 0.00 H new ATOM 0 HA ASP A 99 11.329 17.962 -10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.887 18.323 -12.179 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.853 17.092 -12.878 1.00 0.00 H new ATOM 1582 N ILE A 100 9.397 20.165 -10.698 1.00 0.00 N ATOM 1583 CA ILE A 100 9.005 21.445 -10.120 1.00 0.00 C ATOM 1584 C ILE A 100 8.688 21.223 -8.647 1.00 0.00 C ATOM 1585 O ILE A 100 8.260 20.148 -8.221 1.00 0.00 O ATOM 1586 CB ILE A 100 7.801 22.022 -10.915 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.331 22.769 -12.153 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.797 22.895 -10.128 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.658 24.250 -11.964 1.00 0.00 C ATOM 0 H ILE A 100 8.622 19.503 -10.742 1.00 0.00 H new ATOM 0 HA ILE A 100 9.808 22.179 -10.187 1.00 0.00 H new ATOM 0 HB ILE A 100 7.201 21.155 -11.192 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.232 22.262 -12.499 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.591 22.681 -12.948 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.007 23.234 -10.798 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.361 22.309 -9.319 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.315 23.759 -9.711 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.022 24.665 -12.904 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.760 24.784 -11.655 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.426 24.358 -11.198 1.00 0.00 H new ATOM 1601 N GLU A 101 8.876 22.287 -7.881 1.00 0.00 N ATOM 1602 CA GLU A 101 8.438 22.388 -6.500 1.00 0.00 C ATOM 1603 C GLU A 101 7.872 23.797 -6.334 1.00 0.00 C ATOM 1604 O GLU A 101 8.461 24.759 -6.831 1.00 0.00 O ATOM 1605 CB GLU A 101 9.614 22.093 -5.556 1.00 0.00 C ATOM 1606 CG GLU A 101 9.250 22.225 -4.068 1.00 0.00 C ATOM 1607 CD GLU A 101 8.095 21.300 -3.632 1.00 0.00 C ATOM 1608 OE1 GLU A 101 6.923 21.592 -3.966 1.00 0.00 O ATOM 1609 OE2 GLU A 101 8.361 20.297 -2.931 1.00 0.00 O ATOM 0 H GLU A 101 9.351 23.126 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 101 7.669 21.658 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.978 21.083 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.433 22.775 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.131 22.002 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.975 23.259 -3.860 1.00 0.00 H new ATOM 1616 N ALA A 102 6.710 23.929 -5.698 1.00 0.00 N ATOM 1617 CA ALA A 102 6.073 25.227 -5.532 1.00 0.00 C ATOM 1618 C ALA A 102 6.746 26.019 -4.411 1.00 0.00 C ATOM 1619 O ALA A 102 7.350 25.460 -3.492 1.00 0.00 O ATOM 1620 CB ALA A 102 4.583 25.064 -5.232 1.00 0.00 C ATOM 0 H ALA A 102 6.193 23.150 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 102 6.184 25.777 -6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.126 26.046 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.101 24.539 -6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.457 24.491 -4.314 1.00 0.00 H new ATOM 1626 N ILE A 103 6.571 27.336 -4.468 1.00 0.00 N ATOM 1627 CA ILE A 103 7.034 28.287 -3.467 1.00 0.00 C ATOM 1628 C ILE A 103 5.812 29.088 -3.010 1.00 0.00 C ATOM 1629 O ILE A 103 5.060 29.611 -3.834 1.00 0.00 O ATOM 1630 CB ILE A 103 8.141 29.189 -4.068 1.00 0.00 C ATOM 1631 CG1 ILE A 103 9.387 28.377 -4.500 1.00 0.00 C ATOM 1632 CG2 ILE A 103 8.568 30.285 -3.074 1.00 0.00 C ATOM 1633 CD1 ILE A 103 10.330 29.172 -5.412 1.00 0.00 C ATOM 0 H ILE A 103 6.084 27.786 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 103 7.479 27.786 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 103 7.709 29.653 -4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.932 28.058 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.064 27.474 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.346 30.902 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.708 30.908 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.953 29.822 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.184 28.551 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.798 29.469 -6.316 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.679 30.062 -4.888 1.00 0.00 H new ATOM 1645 N ASP A 104 5.661 29.205 -1.685 1.00 0.00 N ATOM 1646 CA ASP A 104 4.660 30.034 -1.003 1.00 0.00 C ATOM 1647 C ASP A 104 3.242 29.859 -1.571 1.00 0.00 C ATOM 1648 O ASP A 104 2.502 30.826 -1.774 1.00 0.00 O ATOM 1649 CB ASP A 104 5.138 31.495 -0.958 1.00 0.00 C ATOM 1650 CG ASP A 104 4.244 32.387 -0.076 1.00 0.00 C ATOM 1651 OD1 ASP A 104 3.896 31.985 1.058 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.934 33.531 -0.483 1.00 0.00 O ATOM 0 H ASP A 104 6.260 28.702 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 104 4.570 29.687 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.160 31.527 -0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.159 31.897 -1.971 1.00 0.00 H new ATOM 1657 N VAL A 105 2.873 28.610 -1.875 1.00 0.00 N ATOM 1658 CA VAL A 105 1.573 28.270 -2.455 1.00 0.00 C ATOM 1659 C VAL A 105 0.608 27.784 -1.360 1.00 0.00 C ATOM 1660 O VAL A 105 1.006 27.600 -0.205 1.00 0.00 O ATOM 1661 CB VAL A 105 1.778 27.293 -3.635 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.939 25.823 -3.220 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.698 27.473 -4.704 1.00 0.00 C ATOM 0 H VAL A 105 3.475 27.801 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 105 1.089 29.150 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 105 2.738 27.564 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.078 25.207 -4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.807 25.722 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.046 25.495 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.872 26.771 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.282 27.285 -4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.734 28.492 -5.089 1.00 0.00 H new ATOM 1673 N ASP A 106 -0.670 27.604 -1.710 1.00 0.00 N ATOM 1674 CA ASP A 106 -1.689 27.111 -0.786 1.00 0.00 C ATOM 1675 C ASP A 106 -1.464 25.631 -0.468 1.00 0.00 C ATOM 1676 O ASP A 106 -0.835 24.895 -1.233 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.109 27.369 -1.323 1.00 0.00 C ATOM 1678 CG ASP A 106 -3.875 26.086 -1.686 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -3.626 25.534 -2.778 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -4.686 25.618 -0.856 1.00 0.00 O ATOM 0 H ASP A 106 -1.025 27.798 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 106 -1.595 27.668 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.677 27.921 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.044 28.005 -2.206 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.009 25.195 0.666 1.00 0.00 N ATOM 1686 CA ASP A 107 -1.825 23.844 1.173 1.00 0.00 C ATOM 1687 C ASP A 107 -2.283 22.774 0.182 1.00 0.00 C ATOM 1688 O ASP A 107 -1.617 21.750 0.059 1.00 0.00 O ATOM 1689 CB ASP A 107 -2.571 23.683 2.501 1.00 0.00 C ATOM 1690 CG ASP A 107 -2.418 22.260 3.063 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -1.330 21.931 3.588 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -3.405 21.491 3.047 1.00 0.00 O ATOM 0 H ASP A 107 -2.596 25.779 1.262 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.755 23.699 1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.189 24.404 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.628 23.906 2.355 1.00 0.00 H new ATOM 1697 N ASP A 108 -3.379 22.993 -0.551 1.00 0.00 N ATOM 1698 CA ASP A 108 -3.947 21.969 -1.421 1.00 0.00 C ATOM 1699 C ASP A 108 -3.112 21.822 -2.697 1.00 0.00 C ATOM 1700 O ASP A 108 -2.854 20.703 -3.143 1.00 0.00 O ATOM 1701 CB ASP A 108 -5.414 22.307 -1.735 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.278 21.085 -2.095 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -5.904 19.927 -1.802 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -7.403 21.294 -2.604 1.00 0.00 O ATOM 0 H ASP A 108 -3.890 23.876 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.924 21.008 -0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.853 22.807 -0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.443 23.016 -2.563 1.00 0.00 H new ATOM 1709 N THR A 109 -2.608 22.935 -3.244 1.00 0.00 N ATOM 1710 CA THR A 109 -1.634 22.935 -4.331 1.00 0.00 C ATOM 1711 C THR A 109 -0.377 22.189 -3.879 1.00 0.00 C ATOM 1712 O THR A 109 0.078 21.272 -4.567 1.00 0.00 O ATOM 1713 CB THR A 109 -1.323 24.391 -4.755 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.525 25.060 -5.060 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.451 24.474 -6.010 1.00 0.00 C ATOM 0 H THR A 109 -2.872 23.871 -2.937 1.00 0.00 H new ATOM 0 HA THR A 109 -2.038 22.420 -5.203 1.00 0.00 H new ATOM 0 HB THR A 109 -0.791 24.843 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.797 25.609 -4.295 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.268 25.520 -6.257 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.499 23.972 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.963 23.989 -6.841 1.00 0.00 H new ATOM 1723 N GLN A 110 0.165 22.538 -2.708 1.00 0.00 N ATOM 1724 CA GLN A 110 1.406 21.955 -2.237 1.00 0.00 C ATOM 1725 C GLN A 110 1.247 20.457 -1.961 1.00 0.00 C ATOM 1726 O GLN A 110 2.161 19.690 -2.271 1.00 0.00 O ATOM 1727 CB GLN A 110 1.890 22.728 -1.004 1.00 0.00 C ATOM 1728 CG GLN A 110 3.273 22.278 -0.520 1.00 0.00 C ATOM 1729 CD GLN A 110 4.375 22.425 -1.572 1.00 0.00 C ATOM 1730 OE1 GLN A 110 5.005 23.473 -1.677 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.633 21.389 -2.356 1.00 0.00 N ATOM 0 H GLN A 110 -0.245 23.224 -2.074 1.00 0.00 H new ATOM 0 HA GLN A 110 2.165 22.040 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.922 23.792 -1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.169 22.601 -0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.546 22.859 0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 110 3.217 21.235 -0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.099 20.526 -2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.366 21.454 -3.062 1.00 0.00 H new ATOM 1740 N GLU A 111 0.105 20.028 -1.416 1.00 0.00 N ATOM 1741 CA GLU A 111 -0.178 18.622 -1.171 1.00 0.00 C ATOM 1742 C GLU A 111 -0.268 17.854 -2.479 1.00 0.00 C ATOM 1743 O GLU A 111 0.303 16.772 -2.564 1.00 0.00 O ATOM 1744 CB GLU A 111 -1.483 18.447 -0.378 1.00 0.00 C ATOM 1745 CG GLU A 111 -1.269 18.587 1.133 1.00 0.00 C ATOM 1746 CD GLU A 111 -0.462 17.411 1.718 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -0.962 16.262 1.712 1.00 0.00 O ATOM 1748 OE2 GLU A 111 0.673 17.629 2.200 1.00 0.00 O ATOM 0 H GLU A 111 -0.649 20.654 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 111 0.645 18.222 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.209 19.189 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.908 17.466 -0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.747 19.522 1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.237 18.645 1.631 1.00 0.00 H new ATOM 1755 N ALA A 112 -0.930 18.398 -3.503 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.037 17.723 -4.793 1.00 0.00 C ATOM 1757 C ALA A 112 0.351 17.495 -5.399 1.00 0.00 C ATOM 1758 O ALA A 112 0.631 16.415 -5.920 1.00 0.00 O ATOM 1759 CB ALA A 112 -1.917 18.547 -5.733 1.00 0.00 C ATOM 0 H ALA A 112 -1.399 19.303 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.500 16.747 -4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.995 18.041 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.911 18.656 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.473 19.532 -5.876 1.00 0.00 H new ATOM 1765 N ILE A 113 1.230 18.495 -5.298 1.00 0.00 N ATOM 1766 CA ILE A 113 2.601 18.408 -5.785 1.00 0.00 C ATOM 1767 C ILE A 113 3.361 17.340 -4.992 1.00 0.00 C ATOM 1768 O ILE A 113 3.927 16.428 -5.591 1.00 0.00 O ATOM 1769 CB ILE A 113 3.257 19.801 -5.694 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.568 20.772 -6.673 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.767 19.750 -5.976 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.800 22.231 -6.292 1.00 0.00 C ATOM 0 H ILE A 113 1.004 19.394 -4.872 1.00 0.00 H new ATOM 0 HA ILE A 113 2.623 18.103 -6.831 1.00 0.00 H new ATOM 0 HB ILE A 113 3.129 20.158 -4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.943 20.597 -7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.497 20.568 -6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.185 20.754 -5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.251 19.099 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.937 19.361 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.296 22.879 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.401 22.415 -5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.869 22.443 -6.299 1.00 0.00 H new ATOM 1784 N ALA A 114 3.366 17.427 -3.658 1.00 0.00 N ATOM 1785 CA ALA A 114 4.106 16.498 -2.809 1.00 0.00 C ATOM 1786 C ALA A 114 3.624 15.059 -3.020 1.00 0.00 C ATOM 1787 O ALA A 114 4.434 14.135 -3.101 1.00 0.00 O ATOM 1788 CB ALA A 114 3.951 16.911 -1.342 1.00 0.00 C ATOM 0 H ALA A 114 2.857 18.143 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 114 5.161 16.536 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.504 16.217 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.343 17.919 -1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.896 16.891 -1.068 1.00 0.00 H new ATOM 1794 N ASP A 115 2.308 14.883 -3.141 1.00 0.00 N ATOM 1795 CA ASP A 115 1.671 13.589 -3.357 1.00 0.00 C ATOM 1796 C ASP A 115 2.129 12.988 -4.685 1.00 0.00 C ATOM 1797 O ASP A 115 2.583 11.842 -4.727 1.00 0.00 O ATOM 1798 CB ASP A 115 0.146 13.740 -3.289 1.00 0.00 C ATOM 1799 CG ASP A 115 -0.589 12.393 -3.288 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -0.525 11.657 -4.293 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -1.289 12.111 -2.288 1.00 0.00 O ATOM 0 H ASP A 115 1.643 15.655 -3.090 1.00 0.00 H new ATOM 0 HA ASP A 115 1.971 12.899 -2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.119 14.293 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.193 14.333 -4.139 1.00 0.00 H new ATOM 1806 N TRP A 116 2.119 13.792 -5.755 1.00 0.00 N ATOM 1807 CA TRP A 116 2.602 13.364 -7.057 1.00 0.00 C ATOM 1808 C TRP A 116 4.102 13.037 -7.012 1.00 0.00 C ATOM 1809 O TRP A 116 4.545 12.084 -7.656 1.00 0.00 O ATOM 1810 CB TRP A 116 2.304 14.452 -8.098 1.00 0.00 C ATOM 1811 CG TRP A 116 2.785 14.106 -9.470 1.00 0.00 C ATOM 1812 CD1 TRP A 116 3.921 14.565 -10.041 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.236 13.127 -10.405 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.122 13.930 -11.246 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.122 13.023 -11.517 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.106 12.280 -10.406 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 2.902 12.122 -12.566 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 0.869 11.380 -11.464 1.00 0.00 C ATOM 1819 CH2 TRP A 116 1.767 11.296 -12.543 1.00 0.00 C ATOM 0 H TRP A 116 1.776 14.752 -5.735 1.00 0.00 H new ATOM 0 HA TRP A 116 2.081 12.450 -7.343 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.229 14.628 -8.131 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.770 15.385 -7.782 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.572 15.315 -9.617 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.915 14.109 -11.862 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.411 12.323 -9.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.601 12.063 -13.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -0.008 10.750 -11.446 1.00 0.00 H new ATOM 0 HH2 TRP A 116 1.585 10.600 -13.349 1.00 0.00 H new ATOM 1830 N LEU A 117 4.897 13.799 -6.252 1.00 0.00 N ATOM 1831 CA LEU A 117 6.344 13.627 -6.227 1.00 0.00 C ATOM 1832 C LEU A 117 6.712 12.313 -5.552 1.00 0.00 C ATOM 1833 O LEU A 117 7.574 11.598 -6.067 1.00 0.00 O ATOM 1834 CB LEU A 117 7.025 14.809 -5.519 1.00 0.00 C ATOM 1835 CG LEU A 117 7.122 16.070 -6.400 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.457 17.275 -5.520 1.00 0.00 C ATOM 1837 CD2 LEU A 117 8.188 15.930 -7.493 1.00 0.00 C ATOM 0 H LEU A 117 4.555 14.544 -5.645 1.00 0.00 H new ATOM 0 HA LEU A 117 6.702 13.599 -7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.471 15.049 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.027 14.511 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 117 6.159 16.207 -6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.527 18.169 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.674 17.410 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.410 17.106 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.220 16.842 -8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.162 15.763 -7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.941 15.085 -8.136 1.00 0.00 H new ATOM 1849 N TYR A 118 6.065 11.948 -4.439 1.00 0.00 N ATOM 1850 CA TYR A 118 6.341 10.638 -3.869 1.00 0.00 C ATOM 1851 C TYR A 118 5.740 9.537 -4.745 1.00 0.00 C ATOM 1852 O TYR A 118 6.367 8.495 -4.872 1.00 0.00 O ATOM 1853 CB TYR A 118 5.993 10.531 -2.379 1.00 0.00 C ATOM 1854 CG TYR A 118 4.534 10.401 -1.994 1.00 0.00 C ATOM 1855 CD1 TYR A 118 3.830 9.215 -2.275 1.00 0.00 C ATOM 1856 CD2 TYR A 118 3.907 11.433 -1.273 1.00 0.00 C ATOM 1857 CE1 TYR A 118 2.488 9.078 -1.888 1.00 0.00 C ATOM 1858 CE2 TYR A 118 2.579 11.286 -0.843 1.00 0.00 C ATOM 1859 CZ TYR A 118 1.861 10.111 -1.157 1.00 0.00 C ATOM 1860 OH TYR A 118 0.578 9.968 -0.733 1.00 0.00 O ATOM 0 H TYR A 118 5.380 12.515 -3.940 1.00 0.00 H new ATOM 0 HA TYR A 118 7.421 10.490 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 118 6.523 9.669 -1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.392 11.414 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.325 8.406 -2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 118 4.448 12.340 -1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 118 1.937 8.186 -2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 118 2.106 12.071 -0.272 1.00 0.00 H new ATOM 0 HH TYR A 118 0.006 10.614 -1.198 1.00 0.00 H new ATOM 1870 N TRP A 119 4.597 9.739 -5.411 1.00 0.00 N ATOM 1871 CA TRP A 119 4.038 8.762 -6.352 1.00 0.00 C ATOM 1872 C TRP A 119 5.013 8.453 -7.496 1.00 0.00 C ATOM 1873 O TRP A 119 5.154 7.292 -7.891 1.00 0.00 O ATOM 1874 CB TRP A 119 2.684 9.276 -6.858 1.00 0.00 C ATOM 1875 CG TRP A 119 2.116 8.647 -8.096 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.489 8.942 -9.362 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.031 7.678 -8.227 1.00 0.00 C ATOM 1878 NE1 TRP A 119 1.746 8.205 -10.257 1.00 0.00 N ATOM 1879 CE2 TRP A 119 0.793 7.446 -9.616 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.203 6.991 -7.313 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.233 6.607 -10.073 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.838 6.156 -7.762 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -1.071 5.980 -9.137 1.00 0.00 C ATOM 0 H TRP A 119 4.034 10.584 -5.313 1.00 0.00 H new ATOM 0 HA TRP A 119 3.879 7.814 -5.838 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.957 9.152 -6.055 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.779 10.347 -7.039 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.257 9.652 -9.632 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.884 8.220 -11.267 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.371 7.108 -6.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.377 6.445 -11.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.463 5.646 -7.044 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.892 5.364 -9.473 1.00 0.00 H new ATOM 1894 N LEU A 120 5.744 9.457 -7.989 1.00 0.00 N ATOM 1895 CA LEU A 120 6.835 9.245 -8.933 1.00 0.00 C ATOM 1896 C LEU A 120 7.870 8.301 -8.317 1.00 0.00 C ATOM 1897 O LEU A 120 8.248 7.312 -8.945 1.00 0.00 O ATOM 1898 CB LEU A 120 7.464 10.597 -9.302 1.00 0.00 C ATOM 1899 CG LEU A 120 8.570 10.504 -10.368 1.00 0.00 C ATOM 1900 CD1 LEU A 120 7.983 10.267 -11.764 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.377 11.805 -10.331 1.00 0.00 C ATOM 0 H LEU A 120 5.593 10.435 -7.743 1.00 0.00 H new ATOM 0 HA LEU A 120 6.455 8.785 -9.845 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.681 11.264 -9.663 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.879 11.051 -8.402 1.00 0.00 H new ATOM 0 HG LEU A 120 9.217 9.654 -10.150 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.791 10.206 -12.493 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.420 9.334 -11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.320 11.092 -12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.169 11.763 -11.079 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.719 12.647 -10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.818 11.931 -9.342 1.00 0.00 H new ATOM 1913 N ALA A 121 8.284 8.561 -7.071 1.00 0.00 N ATOM 1914 CA ALA A 121 9.228 7.711 -6.351 1.00 0.00 C ATOM 1915 C ALA A 121 8.669 6.310 -6.038 1.00 0.00 C ATOM 1916 O ALA A 121 9.459 5.375 -5.899 1.00 0.00 O ATOM 1917 CB ALA A 121 9.702 8.416 -5.075 1.00 0.00 C ATOM 0 H ALA A 121 7.970 9.371 -6.536 1.00 0.00 H new ATOM 0 HA ALA A 121 10.080 7.550 -7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 121 10.406 7.774 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.193 9.353 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.845 8.623 -4.434 1.00 0.00 H new ATOM 1923 N ARG A 122 7.341 6.115 -5.964 1.00 0.00 N ATOM 1924 CA ARG A 122 6.744 4.780 -5.837 1.00 0.00 C ATOM 1925 C ARG A 122 6.965 3.942 -7.093 1.00 0.00 C ATOM 1926 O ARG A 122 6.818 2.722 -7.029 1.00 0.00 O ATOM 1927 CB ARG A 122 5.238 4.842 -5.530 1.00 0.00 C ATOM 1928 CG ARG A 122 4.890 5.508 -4.205 1.00 0.00 C ATOM 1929 CD ARG A 122 3.394 5.435 -3.899 1.00 0.00 C ATOM 1930 NE ARG A 122 3.117 4.274 -3.048 1.00 0.00 N ATOM 1931 CZ ARG A 122 2.106 3.408 -3.131 1.00 0.00 C ATOM 1932 NH1 ARG A 122 1.223 3.468 -4.122 1.00 0.00 N ATOM 1933 NH2 ARG A 122 2.003 2.486 -2.186 1.00 0.00 N ATOM 0 H ARG A 122 6.659 6.873 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 122 7.250 4.306 -4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.738 5.380 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.838 3.828 -5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 122 5.448 5.028 -3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.204 6.552 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.071 6.349 -3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.827 5.361 -4.827 1.00 0.00 H new ATOM 0 HE ARG A 122 3.784 4.107 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.310 4.187 -4.840 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.458 2.795 -4.165 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.684 2.455 -1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.243 1.807 -2.217 1.00 0.00 H new ATOM 1947 N GLY A 123 7.299 4.567 -8.224 1.00 0.00 N ATOM 1948 CA GLY A 123 7.321 3.887 -9.505 1.00 0.00 C ATOM 1949 C GLY A 123 5.894 3.673 -10.010 1.00 0.00 C ATOM 1950 O GLY A 123 5.630 2.638 -10.625 1.00 0.00 O ATOM 0 H GLY A 123 7.559 5.552 -8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.887 4.475 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.828 2.927 -9.408 1.00 0.00 H new ATOM 1954 N TYR A 124 5.003 4.655 -9.777 1.00 0.00 N ATOM 1955 CA TYR A 124 3.641 4.725 -10.306 1.00 0.00 C ATOM 1956 C TYR A 124 2.777 3.502 -9.939 1.00 0.00 C ATOM 1957 O TYR A 124 3.138 2.678 -9.093 1.00 0.00 O ATOM 1958 CB TYR A 124 3.747 4.923 -11.834 1.00 0.00 C ATOM 1959 CG TYR A 124 3.886 6.320 -12.393 1.00 0.00 C ATOM 1960 CD1 TYR A 124 4.470 7.385 -11.677 1.00 0.00 C ATOM 1961 CD2 TYR A 124 3.470 6.512 -13.720 1.00 0.00 C ATOM 1962 CE1 TYR A 124 4.670 8.628 -12.307 1.00 0.00 C ATOM 1963 CE2 TYR A 124 3.694 7.734 -14.361 1.00 0.00 C ATOM 1964 CZ TYR A 124 4.329 8.787 -13.672 1.00 0.00 C ATOM 1965 OH TYR A 124 4.634 9.929 -14.341 1.00 0.00 O ATOM 0 H TYR A 124 5.230 5.455 -9.187 1.00 0.00 H new ATOM 0 HA TYR A 124 3.123 5.566 -9.846 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.604 4.345 -12.180 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.860 4.477 -12.284 1.00 0.00 H new ATOM 0 HD1 TYR A 124 4.763 7.247 -10.647 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.974 5.711 -14.249 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.082 9.457 -11.751 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.380 7.871 -15.385 1.00 0.00 H new ATOM 0 HH TYR A 124 4.376 9.836 -15.282 1.00 0.00 H new ATOM 1975 N LYS A 125 1.600 3.414 -10.572 1.00 0.00 N ATOM 1976 CA LYS A 125 0.723 2.243 -10.556 1.00 0.00 C ATOM 1977 C LYS A 125 0.340 1.877 -11.989 1.00 0.00 C ATOM 1978 O LYS A 125 0.433 0.703 -12.353 1.00 0.00 O ATOM 1979 CB LYS A 125 -0.551 2.495 -9.729 1.00 0.00 C ATOM 1980 CG LYS A 125 -0.302 2.864 -8.259 1.00 0.00 C ATOM 1981 CD LYS A 125 0.085 1.695 -7.343 1.00 0.00 C ATOM 1982 CE LYS A 125 -1.100 0.741 -7.120 1.00 0.00 C ATOM 1983 NZ LYS A 125 -0.943 -0.075 -5.891 1.00 0.00 N ATOM 0 H LYS A 125 1.223 4.182 -11.126 1.00 0.00 H new ATOM 0 HA LYS A 125 1.266 1.421 -10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.120 3.297 -10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.173 1.601 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.490 3.612 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.203 3.332 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.918 1.146 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.429 2.081 -6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.022 1.319 -7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.199 0.081 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.722 -0.761 -5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.036 -0.583 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.960 0.546 -5.057 1.00 0.00 H new ATOM 1997 N PHE A 126 -0.084 2.859 -12.798 1.00 0.00 N ATOM 1998 CA PHE A 126 -0.348 2.635 -14.214 1.00 0.00 C ATOM 1999 C PHE A 126 0.970 2.413 -14.960 1.00 0.00 C ATOM 2000 O PHE A 126 2.011 2.968 -14.548 1.00 0.00 O ATOM 2001 CB PHE A 126 -1.202 3.761 -14.817 1.00 0.00 C ATOM 2002 CG PHE A 126 -0.623 5.164 -14.861 1.00 0.00 C ATOM 2003 CD1 PHE A 126 0.189 5.563 -15.941 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -0.976 6.106 -13.874 1.00 0.00 C ATOM 2005 CE1 PHE A 126 0.649 6.889 -16.029 1.00 0.00 C ATOM 2006 CE2 PHE A 126 -0.508 7.431 -13.957 1.00 0.00 C ATOM 2007 CZ PHE A 126 0.303 7.823 -15.036 1.00 0.00 C ATOM 2008 OXT PHE A 126 0.963 1.658 -15.955 1.00 0.00 O ATOM 0 H PHE A 126 -0.250 3.816 -12.488 1.00 0.00 H new ATOM 0 HA PHE A 126 -0.943 1.728 -14.326 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -1.456 3.475 -15.838 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -2.136 3.805 -14.257 1.00 0.00 H new ATOM 0 HD1 PHE A 126 0.459 4.848 -16.704 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -1.608 5.810 -13.050 1.00 0.00 H new ATOM 0 HE1 PHE A 126 1.269 7.191 -16.860 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.772 8.146 -13.192 1.00 0.00 H new ATOM 0 HZ PHE A 126 0.660 8.840 -15.102 1.00 0.00 H new TER 2018 PHE A 126