USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 48 LYS NZ :NH3+ -151:sc= 1.21 (180deg=-0.109) USER MOD Set 1.2: A 50 SER OG : rot -25:sc= 2.08 USER MOD Single : A 0 SER OG : rot 59:sc= -2.17 USER MOD Single : A 9 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0273) USER MOD Single : A -1 GLY N :NH3+ 153:sc= 1.25 (180deg=1.05) USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= -2.3! (180deg=-4.19!) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0.156 (180deg=0.0235) USER MOD Single : A 19 ASN : amide:sc= -0.0606 K(o=-0.061,f=-3.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.0646 K(o=0.065,f=-0.61) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0126 (180deg=-0.215) USER MOD Single : A 36 LYS NZ :NH3+ -122:sc= 1.03 (180deg=-0.362) USER MOD Single : A 37 TYR OH : rot 156:sc= -0.371 USER MOD Single : A 41 THR OG1 : rot 170:sc= -0.17 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.106) USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.817 USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= -0.0166 (180deg=-0.13) USER MOD Single : A 56 TYR OH : rot 180:sc= -2.22! USER MOD Single : A 57 TYR OH : rot 123:sc= -1.37 USER MOD Single : A 59 SER OG : rot 23:sc= 0.537 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= -0.114 (180deg=-0.136) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= 0.163 (180deg=-0.269) USER MOD Single : A 74 LYS NZ :NH3+ -123:sc= 1.65 (180deg=-4.41!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 159:sc= -3.98! (180deg=-6.86!) USER MOD Single : A 85 LYS NZ :NH3+ -99:sc= -0.368 (180deg=-0.642) USER MOD Single : A 88 LYS NZ :NH3+ -146:sc= -0.893! (180deg=-4.31!) USER MOD Single : A 96 TYR OH : rot 71:sc= -2.48! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 7.115 8.442 4.039 1.00 0.00 N ATOM 2 CA GLY A -1 8.333 7.619 4.232 1.00 0.00 C ATOM 3 C GLY A -1 8.029 6.144 4.102 1.00 0.00 C ATOM 4 O GLY A -1 6.873 5.739 4.220 1.00 0.00 O ATOM 0 H1 GLY A -1 7.217 9.339 4.556 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.986 8.639 3.026 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.287 7.926 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.086 7.903 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.757 7.819 5.216 1.00 0.00 H new ATOM 10 N SER A 0 9.054 5.338 3.861 1.00 0.00 N ATOM 11 CA SER A 0 8.861 3.909 3.671 1.00 0.00 C ATOM 12 C SER A 0 9.332 3.105 4.885 1.00 0.00 C ATOM 13 O SER A 0 8.623 2.216 5.351 1.00 0.00 O ATOM 14 CB SER A 0 9.564 3.454 2.392 1.00 0.00 C ATOM 15 OG SER A 0 10.512 4.416 1.962 1.00 0.00 O ATOM 0 H SER A 0 10.023 5.649 3.793 1.00 0.00 H new ATOM 0 HA SER A 0 7.793 3.720 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 0 10.062 2.500 2.567 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.826 3.289 1.607 1.00 0.00 H new ATOM 0 HG SER A 0 11.173 4.564 2.671 1.00 0.00 H new ATOM 21 N LEU A 1 10.540 3.401 5.368 1.00 0.00 N ATOM 22 CA LEU A 1 11.068 2.848 6.630 1.00 0.00 C ATOM 23 C LEU A 1 11.460 1.374 6.534 1.00 0.00 C ATOM 24 O LEU A 1 12.283 0.894 7.314 1.00 0.00 O ATOM 25 CB LEU A 1 10.048 2.990 7.766 1.00 0.00 C ATOM 26 CG LEU A 1 9.426 4.377 7.927 1.00 0.00 C ATOM 27 CD1 LEU A 1 8.270 4.332 8.914 1.00 0.00 C ATOM 28 CD2 LEU A 1 10.480 5.381 8.367 1.00 0.00 C ATOM 0 H LEU A 1 11.187 4.033 4.897 1.00 0.00 H new ATOM 0 HA LEU A 1 11.966 3.430 6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.247 2.269 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.535 2.719 8.703 1.00 0.00 H new ATOM 0 HG LEU A 1 9.032 4.697 6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.840 5.328 9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.508 3.643 8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.633 3.993 9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.022 6.364 8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.904 5.069 9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.270 5.431 7.618 1.00 0.00 H new ATOM 40 N ILE A 2 10.869 0.660 5.591 1.00 0.00 N ATOM 41 CA ILE A 2 11.003 -0.791 5.518 1.00 0.00 C ATOM 42 C ILE A 2 12.324 -1.205 4.845 1.00 0.00 C ATOM 43 O ILE A 2 12.469 -2.314 4.324 1.00 0.00 O ATOM 44 CB ILE A 2 9.779 -1.381 4.778 1.00 0.00 C ATOM 45 CG1 ILE A 2 9.564 -2.837 5.177 1.00 0.00 C ATOM 46 CG2 ILE A 2 9.903 -1.229 3.271 1.00 0.00 C ATOM 47 CD1 ILE A 2 9.259 -2.992 6.651 1.00 0.00 C ATOM 0 H ILE A 2 10.286 1.063 4.858 1.00 0.00 H new ATOM 0 HA ILE A 2 11.032 -1.194 6.530 1.00 0.00 H new ATOM 0 HB ILE A 2 8.900 -0.812 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.743 -3.254 4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.455 -3.414 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.024 -1.656 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.979 -0.172 3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 2 10.796 -1.750 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 2 9.114 -4.047 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 2 10.091 -2.602 7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.352 -2.439 6.895 1.00 0.00 H new ATOM 59 N LEU A 3 13.292 -0.310 4.930 1.00 0.00 N ATOM 60 CA LEU A 3 14.585 -0.447 4.280 1.00 0.00 C ATOM 61 C LEU A 3 15.383 0.799 4.626 1.00 0.00 C ATOM 62 O LEU A 3 14.869 1.679 5.317 1.00 0.00 O ATOM 63 CB LEU A 3 14.398 -0.568 2.767 1.00 0.00 C ATOM 64 CG LEU A 3 15.456 -1.387 2.041 1.00 0.00 C ATOM 65 CD1 LEU A 3 15.384 -2.837 2.486 1.00 0.00 C ATOM 66 CD2 LEU A 3 15.268 -1.275 0.539 1.00 0.00 C ATOM 0 H LEU A 3 13.199 0.553 5.466 1.00 0.00 H new ATOM 0 HA LEU A 3 15.107 -1.343 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.422 -1.013 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.382 0.434 2.339 1.00 0.00 H new ATOM 0 HG LEU A 3 16.442 -0.996 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.144 -3.417 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 3 15.558 -2.897 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.398 -3.240 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.031 -1.865 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.280 -1.648 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.357 -0.231 0.238 1.00 0.00 H new ATOM 78 N ASP A 4 16.622 0.871 4.195 1.00 0.00 N ATOM 79 CA ASP A 4 17.418 2.072 4.405 1.00 0.00 C ATOM 80 C ASP A 4 18.381 2.254 3.242 1.00 0.00 C ATOM 81 O ASP A 4 19.539 2.632 3.419 1.00 0.00 O ATOM 82 CB ASP A 4 18.174 1.967 5.733 1.00 0.00 C ATOM 83 CG ASP A 4 18.808 3.278 6.157 1.00 0.00 C ATOM 84 OD1 ASP A 4 18.092 4.300 6.221 1.00 0.00 O ATOM 85 OD2 ASP A 4 20.019 3.285 6.462 1.00 0.00 O ATOM 0 H ASP A 4 17.103 0.121 3.699 1.00 0.00 H new ATOM 0 HA ASP A 4 16.765 2.943 4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.487 1.633 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.949 1.206 5.645 1.00 0.00 H new ATOM 90 N GLY A 5 17.884 1.985 2.040 1.00 0.00 N ATOM 91 CA GLY A 5 18.733 2.003 0.865 1.00 0.00 C ATOM 92 C GLY A 5 19.714 0.852 0.877 1.00 0.00 C ATOM 93 O GLY A 5 20.706 0.852 0.149 1.00 0.00 O ATOM 0 H GLY A 5 16.907 1.755 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 5 18.117 1.949 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 5 19.277 2.947 0.821 1.00 0.00 H new ATOM 97 N ASP A 6 19.424 -0.131 1.709 1.00 0.00 N ATOM 98 CA ASP A 6 20.309 -1.279 1.885 1.00 0.00 C ATOM 99 C ASP A 6 19.851 -2.442 1.023 1.00 0.00 C ATOM 100 O ASP A 6 20.671 -3.175 0.470 1.00 0.00 O ATOM 101 CB ASP A 6 20.345 -1.703 3.354 1.00 0.00 C ATOM 102 CG ASP A 6 18.998 -2.186 3.844 1.00 0.00 C ATOM 103 OD1 ASP A 6 18.038 -1.385 3.817 1.00 0.00 O ATOM 104 OD2 ASP A 6 18.892 -3.362 4.247 1.00 0.00 O ATOM 0 H ASP A 6 18.579 -0.162 2.279 1.00 0.00 H new ATOM 0 HA ASP A 6 21.313 -0.987 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 6 21.082 -2.496 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 6 20.671 -0.861 3.965 1.00 0.00 H new ATOM 109 N LEU A 7 18.532 -2.601 0.926 1.00 0.00 N ATOM 110 CA LEU A 7 17.921 -3.626 0.087 1.00 0.00 C ATOM 111 C LEU A 7 18.069 -5.011 0.698 1.00 0.00 C ATOM 112 O LEU A 7 19.038 -5.724 0.444 1.00 0.00 O ATOM 113 CB LEU A 7 18.483 -3.609 -1.343 1.00 0.00 C ATOM 114 CG LEU A 7 17.782 -2.660 -2.322 1.00 0.00 C ATOM 115 CD1 LEU A 7 16.320 -3.044 -2.471 1.00 0.00 C ATOM 116 CD2 LEU A 7 17.914 -1.213 -1.876 1.00 0.00 C ATOM 0 H LEU A 7 17.858 -2.022 1.427 1.00 0.00 H new ATOM 0 HA LEU A 7 16.859 -3.389 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.538 -3.338 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.431 -4.620 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 7 18.269 -2.753 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.834 -2.362 -3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.248 -4.063 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.827 -2.982 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.407 -0.564 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.461 -1.093 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.969 -0.943 -1.826 1.00 0.00 H new ATOM 128 N LEU A 8 17.098 -5.375 1.525 1.00 0.00 N ATOM 129 CA LEU A 8 17.010 -6.721 2.067 1.00 0.00 C ATOM 130 C LEU A 8 16.583 -7.690 0.975 1.00 0.00 C ATOM 131 O LEU A 8 16.756 -8.901 1.108 1.00 0.00 O ATOM 132 CB LEU A 8 15.997 -6.769 3.217 1.00 0.00 C ATOM 133 CG LEU A 8 16.329 -5.888 4.422 1.00 0.00 C ATOM 134 CD1 LEU A 8 15.141 -5.805 5.368 1.00 0.00 C ATOM 135 CD2 LEU A 8 17.558 -6.414 5.147 1.00 0.00 C ATOM 0 H LEU A 8 16.355 -4.749 1.836 1.00 0.00 H new ATOM 0 HA LEU A 8 17.991 -7.008 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.021 -6.475 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.907 -7.801 3.557 1.00 0.00 H new ATOM 0 HG LEU A 8 16.549 -4.883 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.397 -5.174 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.287 -5.377 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.887 -6.804 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.778 -5.774 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.369 -7.430 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.409 -6.416 4.466 1.00 0.00 H new ATOM 147 N LYS A 9 16.047 -7.124 -0.112 1.00 0.00 N ATOM 148 CA LYS A 9 15.457 -7.887 -1.213 1.00 0.00 C ATOM 149 C LYS A 9 14.176 -8.562 -0.744 1.00 0.00 C ATOM 150 O LYS A 9 13.085 -8.104 -1.068 1.00 0.00 O ATOM 151 CB LYS A 9 16.443 -8.908 -1.791 1.00 0.00 C ATOM 152 CG LYS A 9 17.692 -8.274 -2.382 1.00 0.00 C ATOM 153 CD LYS A 9 17.350 -7.311 -3.507 1.00 0.00 C ATOM 154 CE LYS A 9 18.582 -6.578 -4.010 1.00 0.00 C ATOM 155 NZ LYS A 9 19.572 -7.493 -4.633 1.00 0.00 N ATOM 0 H LYS A 9 16.011 -6.114 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 9 15.216 -7.193 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.735 -9.605 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.940 -9.491 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.236 -7.744 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 9 18.354 -9.054 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.891 -7.860 -4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.614 -6.588 -3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.281 -5.824 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 9 19.052 -6.050 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.354 -6.937 -5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.945 -8.144 -3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.112 -8.040 -5.388 1.00 0.00 H new ATOM 169 N ASP A 10 14.317 -9.620 0.035 1.00 0.00 N ATOM 170 CA ASP A 10 13.193 -10.238 0.724 1.00 0.00 C ATOM 171 C ASP A 10 13.467 -10.202 2.216 1.00 0.00 C ATOM 172 O ASP A 10 14.531 -10.632 2.661 1.00 0.00 O ATOM 173 CB ASP A 10 12.979 -11.689 0.270 1.00 0.00 C ATOM 174 CG ASP A 10 12.429 -11.804 -1.139 1.00 0.00 C ATOM 175 OD1 ASP A 10 13.214 -11.660 -2.102 1.00 0.00 O ATOM 176 OD2 ASP A 10 11.215 -12.068 -1.293 1.00 0.00 O ATOM 0 H ASP A 10 15.213 -10.076 0.209 1.00 0.00 H new ATOM 0 HA ASP A 10 12.286 -9.684 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.927 -12.223 0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.294 -12.181 0.961 1.00 0.00 H new ATOM 181 N LYS A 11 12.538 -9.663 2.986 1.00 0.00 N ATOM 182 CA LYS A 11 12.736 -9.548 4.422 1.00 0.00 C ATOM 183 C LYS A 11 12.113 -10.729 5.155 1.00 0.00 C ATOM 184 O LYS A 11 12.658 -11.212 6.147 1.00 0.00 O ATOM 185 CB LYS A 11 12.156 -8.239 4.964 1.00 0.00 C ATOM 186 CG LYS A 11 10.660 -8.089 4.748 1.00 0.00 C ATOM 187 CD LYS A 11 10.017 -7.206 5.810 1.00 0.00 C ATOM 188 CE LYS A 11 9.918 -7.909 7.162 1.00 0.00 C ATOM 189 NZ LYS A 11 11.215 -7.938 7.893 1.00 0.00 N ATOM 0 H LYS A 11 11.647 -9.301 2.646 1.00 0.00 H new ATOM 0 HA LYS A 11 13.811 -9.549 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.367 -8.175 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.667 -7.402 4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.477 -7.662 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.191 -9.073 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.599 -6.291 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.020 -6.912 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.172 -7.404 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.568 -8.930 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.038 -7.884 8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.717 -8.823 7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.797 -7.128 7.599 1.00 0.00 H new ATOM 203 N LEU A 12 10.969 -11.185 4.671 1.00 0.00 N ATOM 204 CA LEU A 12 10.270 -12.285 5.305 1.00 0.00 C ATOM 205 C LEU A 12 10.105 -13.453 4.337 1.00 0.00 C ATOM 206 O LEU A 12 10.172 -14.614 4.744 1.00 0.00 O ATOM 207 CB LEU A 12 8.922 -11.809 5.889 1.00 0.00 C ATOM 208 CG LEU A 12 8.049 -10.919 4.990 1.00 0.00 C ATOM 209 CD1 LEU A 12 7.263 -11.740 3.984 1.00 0.00 C ATOM 210 CD2 LEU A 12 7.106 -10.081 5.838 1.00 0.00 C ATOM 0 H LEU A 12 10.507 -10.810 3.843 1.00 0.00 H new ATOM 0 HA LEU A 12 10.870 -12.648 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.341 -12.690 6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.125 -11.264 6.811 1.00 0.00 H new ATOM 0 HG LEU A 12 8.712 -10.258 4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.658 -11.076 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.953 -12.297 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.613 -12.437 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.493 -9.455 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.462 -10.738 6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.686 -9.449 6.510 1.00 0.00 H new ATOM 222 N LYS A 13 9.924 -13.136 3.052 1.00 0.00 N ATOM 223 CA LYS A 13 9.840 -14.146 1.994 1.00 0.00 C ATOM 224 C LYS A 13 8.775 -15.201 2.325 1.00 0.00 C ATOM 225 O LYS A 13 9.002 -16.410 2.212 1.00 0.00 O ATOM 226 CB LYS A 13 11.211 -14.800 1.795 1.00 0.00 C ATOM 227 CG LYS A 13 11.303 -15.685 0.561 1.00 0.00 C ATOM 228 CD LYS A 13 12.596 -16.480 0.546 1.00 0.00 C ATOM 229 CE LYS A 13 12.728 -17.350 1.788 1.00 0.00 C ATOM 230 NZ LYS A 13 11.572 -18.272 1.951 1.00 0.00 N ATOM 0 H LYS A 13 9.832 -12.177 2.717 1.00 0.00 H new ATOM 0 HA LYS A 13 9.543 -13.658 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.968 -14.019 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.448 -15.397 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.454 -16.368 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.242 -15.069 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.629 -17.108 -0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.444 -15.797 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.648 -17.931 1.727 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.810 -16.713 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.765 -18.936 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.717 -17.722 2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.425 -18.803 1.069 1.00 0.00 H new ATOM 244 N LEU A 14 7.617 -14.730 2.747 1.00 0.00 N ATOM 245 CA LEU A 14 6.509 -15.599 3.107 1.00 0.00 C ATOM 246 C LEU A 14 5.439 -15.569 2.019 1.00 0.00 C ATOM 247 O LEU A 14 5.545 -14.794 1.065 1.00 0.00 O ATOM 248 CB LEU A 14 5.911 -15.138 4.441 1.00 0.00 C ATOM 249 CG LEU A 14 6.855 -15.206 5.645 1.00 0.00 C ATOM 250 CD1 LEU A 14 6.212 -14.554 6.860 1.00 0.00 C ATOM 251 CD2 LEU A 14 7.239 -16.648 5.946 1.00 0.00 C ATOM 0 H LEU A 14 7.416 -13.735 2.850 1.00 0.00 H new ATOM 0 HA LEU A 14 6.875 -16.621 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.567 -14.110 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.033 -15.747 4.655 1.00 0.00 H new ATOM 0 HG LEU A 14 7.765 -14.657 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.895 -14.610 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.993 -13.509 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.286 -15.075 7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.910 -16.674 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.341 -17.225 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.741 -17.079 5.080 1.00 0.00 H new ATOM 263 N PRO A 15 4.420 -16.441 2.125 1.00 0.00 N ATOM 264 CA PRO A 15 3.193 -16.349 1.314 1.00 0.00 C ATOM 265 C PRO A 15 2.479 -15.017 1.525 1.00 0.00 C ATOM 266 O PRO A 15 3.097 -14.020 1.907 1.00 0.00 O ATOM 267 CB PRO A 15 2.334 -17.497 1.852 1.00 0.00 C ATOM 268 CG PRO A 15 3.302 -18.453 2.433 1.00 0.00 C ATOM 269 CD PRO A 15 4.395 -17.616 3.014 1.00 0.00 C ATOM 0 HA PRO A 15 3.395 -16.412 0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.627 -17.144 2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.749 -17.960 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.832 -19.070 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.689 -19.130 1.672 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.184 -17.337 4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.350 -18.142 3.015 1.00 0.00 H new ATOM 277 N VAL A 16 1.184 -14.984 1.260 1.00 0.00 N ATOM 278 CA VAL A 16 0.410 -13.789 1.549 1.00 0.00 C ATOM 279 C VAL A 16 0.559 -13.416 3.022 1.00 0.00 C ATOM 280 O VAL A 16 0.360 -14.237 3.924 1.00 0.00 O ATOM 281 CB VAL A 16 -1.082 -13.918 1.179 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.741 -15.065 1.930 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.796 -12.600 1.453 1.00 0.00 C ATOM 0 H VAL A 16 0.654 -15.755 0.853 1.00 0.00 H new ATOM 0 HA VAL A 16 0.813 -12.996 0.919 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.158 -14.144 0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.792 -15.129 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.240 -16.000 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.664 -14.889 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.850 -12.695 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.707 -12.351 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.343 -11.810 0.855 1.00 0.00 H new ATOM 293 N ILE A 17 0.947 -12.182 3.244 1.00 0.00 N ATOM 294 CA ILE A 17 1.266 -11.702 4.566 1.00 0.00 C ATOM 295 C ILE A 17 0.006 -11.207 5.260 1.00 0.00 C ATOM 296 O ILE A 17 -0.948 -10.789 4.598 1.00 0.00 O ATOM 297 CB ILE A 17 2.307 -10.567 4.485 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.277 -10.835 3.336 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.075 -10.452 5.785 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.287 -9.727 3.119 1.00 0.00 C ATOM 0 H ILE A 17 1.050 -11.481 2.510 1.00 0.00 H new ATOM 0 HA ILE A 17 1.688 -12.524 5.145 1.00 0.00 H new ATOM 0 HB ILE A 17 1.782 -9.628 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.809 -11.766 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.707 -10.980 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.804 -9.646 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.383 -10.237 6.599 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.592 -11.390 5.986 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.941 -9.989 2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.765 -8.798 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.883 -9.596 4.022 1.00 0.00 H new ATOM 312 N ASP A 18 0.012 -11.267 6.586 1.00 0.00 N ATOM 313 CA ASP A 18 -1.138 -10.882 7.394 1.00 0.00 C ATOM 314 C ASP A 18 -1.626 -9.490 7.029 1.00 0.00 C ATOM 315 O ASP A 18 -0.824 -8.583 6.790 1.00 0.00 O ATOM 316 CB ASP A 18 -0.770 -10.929 8.878 1.00 0.00 C ATOM 317 CG ASP A 18 -0.405 -12.324 9.331 1.00 0.00 C ATOM 318 OD1 ASP A 18 -1.272 -13.019 9.900 1.00 0.00 O ATOM 319 OD2 ASP A 18 0.751 -12.741 9.107 1.00 0.00 O ATOM 0 H ASP A 18 0.814 -11.584 7.131 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.944 -11.588 7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.068 -10.257 9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.609 -10.564 9.471 1.00 0.00 H new ATOM 324 N ASN A 19 -2.942 -9.321 6.981 1.00 0.00 N ATOM 325 CA ASN A 19 -3.521 -8.033 6.635 1.00 0.00 C ATOM 326 C ASN A 19 -3.205 -7.011 7.717 1.00 0.00 C ATOM 327 O ASN A 19 -3.064 -5.834 7.428 1.00 0.00 O ATOM 328 CB ASN A 19 -5.041 -8.124 6.400 1.00 0.00 C ATOM 329 CG ASN A 19 -5.832 -8.547 7.626 1.00 0.00 C ATOM 330 OD1 ASN A 19 -5.382 -9.366 8.426 1.00 0.00 O ATOM 331 ND2 ASN A 19 -7.021 -7.988 7.783 1.00 0.00 N ATOM 0 H ASN A 19 -3.623 -10.055 7.176 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.072 -7.711 5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.405 -7.153 6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.232 -8.833 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.597 -8.233 8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.361 -7.313 7.099 1.00 0.00 H new ATOM 338 N LEU A 20 -3.068 -7.479 8.953 1.00 0.00 N ATOM 339 CA LEU A 20 -2.647 -6.634 10.058 1.00 0.00 C ATOM 340 C LEU A 20 -1.236 -6.113 9.821 1.00 0.00 C ATOM 341 O LEU A 20 -0.966 -4.929 10.010 1.00 0.00 O ATOM 342 CB LEU A 20 -2.710 -7.420 11.368 1.00 0.00 C ATOM 343 CG LEU A 20 -1.949 -6.801 12.539 1.00 0.00 C ATOM 344 CD1 LEU A 20 -2.528 -5.442 12.909 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.964 -7.742 13.733 1.00 0.00 C ATOM 0 H LEU A 20 -3.245 -8.449 9.213 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.322 -5.781 10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.756 -7.533 11.655 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.318 -8.422 11.191 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.914 -6.647 12.234 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.968 -5.023 13.745 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.457 -4.771 12.053 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.574 -5.557 13.194 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.418 -7.289 14.560 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.994 -7.928 14.037 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.490 -8.685 13.459 1.00 0.00 H new ATOM 357 N PHE A 21 -0.338 -7.001 9.398 1.00 0.00 N ATOM 358 CA PHE A 21 1.025 -6.599 9.080 1.00 0.00 C ATOM 359 C PHE A 21 1.002 -5.564 7.968 1.00 0.00 C ATOM 360 O PHE A 21 1.716 -4.568 8.018 1.00 0.00 O ATOM 361 CB PHE A 21 1.874 -7.806 8.660 1.00 0.00 C ATOM 362 CG PHE A 21 3.298 -7.447 8.329 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.228 -7.243 9.336 1.00 0.00 C ATOM 364 CD2 PHE A 21 3.704 -7.310 7.010 1.00 0.00 C ATOM 365 CE1 PHE A 21 5.535 -6.910 9.034 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.010 -6.979 6.703 1.00 0.00 C ATOM 367 CZ PHE A 21 5.926 -6.777 7.716 1.00 0.00 C ATOM 0 H PHE A 21 -0.530 -7.994 9.269 1.00 0.00 H new ATOM 0 HA PHE A 21 1.476 -6.166 9.973 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.870 -8.542 9.464 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.415 -8.280 7.792 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.928 -7.345 10.368 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.991 -7.464 6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.250 -6.754 9.828 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.314 -6.878 5.672 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.947 -6.515 7.478 1.00 0.00 H new ATOM 377 N GLY A 22 0.156 -5.800 6.976 1.00 0.00 N ATOM 378 CA GLY A 22 -0.018 -4.836 5.916 1.00 0.00 C ATOM 379 C GLY A 22 -0.567 -3.528 6.445 1.00 0.00 C ATOM 380 O GLY A 22 -0.024 -2.468 6.169 1.00 0.00 O ATOM 0 H GLY A 22 -0.412 -6.643 6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.938 -4.659 5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.695 -5.239 5.163 1.00 0.00 H new ATOM 384 N LYS A 23 -1.636 -3.615 7.228 1.00 0.00 N ATOM 385 CA LYS A 23 -2.275 -2.449 7.816 1.00 0.00 C ATOM 386 C LYS A 23 -1.263 -1.613 8.598 1.00 0.00 C ATOM 387 O LYS A 23 -1.356 -0.391 8.636 1.00 0.00 O ATOM 388 CB LYS A 23 -3.423 -2.905 8.722 1.00 0.00 C ATOM 389 CG LYS A 23 -4.659 -3.384 7.967 1.00 0.00 C ATOM 390 CD LYS A 23 -5.367 -2.257 7.225 1.00 0.00 C ATOM 391 CE LYS A 23 -6.003 -1.265 8.187 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.863 -0.275 7.484 1.00 0.00 N ATOM 0 H LYS A 23 -2.083 -4.499 7.472 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.676 -1.820 7.021 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.067 -3.711 9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.706 -2.079 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.368 -4.156 7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.354 -3.844 8.670 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.654 -1.738 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.134 -2.675 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.600 -1.805 8.922 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.221 -0.740 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.276 0.381 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.290 0.260 6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.626 -0.773 6.982 1.00 0.00 H new ATOM 406 N GLU A 24 -0.293 -2.288 9.199 1.00 0.00 N ATOM 407 CA GLU A 24 0.818 -1.645 9.862 1.00 0.00 C ATOM 408 C GLU A 24 1.621 -0.796 8.883 1.00 0.00 C ATOM 409 O GLU A 24 1.847 0.392 9.119 1.00 0.00 O ATOM 410 CB GLU A 24 1.694 -2.718 10.474 1.00 0.00 C ATOM 411 CG GLU A 24 1.263 -3.119 11.865 1.00 0.00 C ATOM 412 CD GLU A 24 1.493 -2.020 12.878 1.00 0.00 C ATOM 413 OE1 GLU A 24 2.565 -2.012 13.517 1.00 0.00 O ATOM 414 OE2 GLU A 24 0.612 -1.147 13.028 1.00 0.00 O ATOM 0 H GLU A 24 -0.261 -3.307 9.237 1.00 0.00 H new ATOM 0 HA GLU A 24 0.443 -0.979 10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.683 -3.597 9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.723 -2.361 10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.206 -3.383 11.853 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.811 -4.011 12.169 1.00 0.00 H new ATOM 421 N LEU A 25 2.056 -1.421 7.792 1.00 0.00 N ATOM 422 CA LEU A 25 2.723 -0.721 6.704 1.00 0.00 C ATOM 423 C LEU A 25 1.885 0.454 6.228 1.00 0.00 C ATOM 424 O LEU A 25 2.307 1.601 6.304 1.00 0.00 O ATOM 425 CB LEU A 25 2.946 -1.664 5.524 1.00 0.00 C ATOM 426 CG LEU A 25 4.193 -2.540 5.581 1.00 0.00 C ATOM 427 CD1 LEU A 25 4.209 -3.398 6.832 1.00 0.00 C ATOM 428 CD2 LEU A 25 4.262 -3.402 4.332 1.00 0.00 C ATOM 0 H LEU A 25 1.955 -2.425 7.640 1.00 0.00 H new ATOM 0 HA LEU A 25 3.681 -0.360 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.076 -2.314 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.990 -1.067 4.613 1.00 0.00 H new ATOM 0 HG LEU A 25 5.071 -1.896 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.111 -4.010 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.196 -2.757 7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.331 -4.044 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.153 -4.029 4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.376 -4.034 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.307 -2.762 3.451 1.00 0.00 H new ATOM 440 N LEU A 26 0.679 0.149 5.770 1.00 0.00 N ATOM 441 CA LEU A 26 -0.192 1.144 5.157 1.00 0.00 C ATOM 442 C LEU A 26 -0.522 2.274 6.127 1.00 0.00 C ATOM 443 O LEU A 26 -0.853 3.380 5.711 1.00 0.00 O ATOM 444 CB LEU A 26 -1.481 0.493 4.638 1.00 0.00 C ATOM 445 CG LEU A 26 -1.344 -0.297 3.329 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.455 -1.509 3.499 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.714 -0.704 2.809 1.00 0.00 C ATOM 0 H LEU A 26 0.278 -0.788 5.812 1.00 0.00 H new ATOM 0 HA LEU A 26 0.347 1.574 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.864 -0.177 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.229 1.273 4.494 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.870 0.355 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.382 -2.043 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.539 -1.190 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.880 -2.169 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.599 -1.263 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.213 -1.329 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.313 0.188 2.624 1.00 0.00 H new ATOM 459 N ASP A 27 -0.445 1.986 7.417 1.00 0.00 N ATOM 460 CA ASP A 27 -0.599 3.026 8.437 1.00 0.00 C ATOM 461 C ASP A 27 0.577 3.992 8.400 1.00 0.00 C ATOM 462 O ASP A 27 0.398 5.206 8.415 1.00 0.00 O ATOM 463 CB ASP A 27 -0.699 2.423 9.838 1.00 0.00 C ATOM 464 CG ASP A 27 -0.857 3.487 10.912 1.00 0.00 C ATOM 465 OD1 ASP A 27 0.164 4.024 11.391 1.00 0.00 O ATOM 466 OD2 ASP A 27 -2.009 3.794 11.284 1.00 0.00 O ATOM 0 H ASP A 27 -0.278 1.050 7.786 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.523 3.560 8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.548 1.740 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.195 1.833 10.042 1.00 0.00 H new ATOM 471 N LYS A 28 1.782 3.442 8.346 1.00 0.00 N ATOM 472 CA LYS A 28 2.998 4.249 8.338 1.00 0.00 C ATOM 473 C LYS A 28 3.163 4.944 6.994 1.00 0.00 C ATOM 474 O LYS A 28 3.749 6.025 6.902 1.00 0.00 O ATOM 475 CB LYS A 28 4.216 3.372 8.632 1.00 0.00 C ATOM 476 CG LYS A 28 4.062 2.551 9.897 1.00 0.00 C ATOM 477 CD LYS A 28 5.286 1.703 10.182 1.00 0.00 C ATOM 478 CE LYS A 28 5.036 0.782 11.362 1.00 0.00 C ATOM 479 NZ LYS A 28 6.281 0.142 11.857 1.00 0.00 N ATOM 0 H LYS A 28 1.946 2.436 8.307 1.00 0.00 H new ATOM 0 HA LYS A 28 2.917 5.009 9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.387 2.702 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.099 4.004 8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.879 3.217 10.740 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.188 1.906 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.539 1.113 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.140 2.347 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.577 1.350 12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.325 0.009 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.057 -0.477 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.708 -0.423 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.952 0.876 12.161 1.00 0.00 H new ATOM 493 N PHE A 29 2.631 4.312 5.960 1.00 0.00 N ATOM 494 CA PHE A 29 2.678 4.858 4.614 1.00 0.00 C ATOM 495 C PHE A 29 1.484 5.748 4.335 1.00 0.00 C ATOM 496 O PHE A 29 1.392 6.328 3.268 1.00 0.00 O ATOM 497 CB PHE A 29 2.713 3.739 3.578 1.00 0.00 C ATOM 498 CG PHE A 29 4.034 3.049 3.486 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.942 3.409 2.512 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.365 2.044 4.374 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.160 2.776 2.425 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.581 1.405 4.294 1.00 0.00 C ATOM 503 CZ PHE A 29 6.480 1.772 3.318 1.00 0.00 C ATOM 0 H PHE A 29 2.157 3.411 6.030 1.00 0.00 H new ATOM 0 HA PHE A 29 3.588 5.454 4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.946 3.005 3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.459 4.152 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.695 4.194 1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.661 1.756 5.141 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.865 3.064 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.829 0.620 4.993 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.436 1.274 3.251 1.00 0.00 H new ATOM 513 N GLN A 30 0.570 5.846 5.285 1.00 0.00 N ATOM 514 CA GLN A 30 -0.620 6.642 5.123 1.00 0.00 C ATOM 515 C GLN A 30 -0.273 8.075 4.745 1.00 0.00 C ATOM 516 O GLN A 30 -0.815 8.616 3.789 1.00 0.00 O ATOM 517 CB GLN A 30 -1.408 6.598 6.415 1.00 0.00 C ATOM 518 CG GLN A 30 -2.684 7.357 6.359 1.00 0.00 C ATOM 519 CD GLN A 30 -3.420 7.361 7.685 1.00 0.00 C ATOM 520 OE1 GLN A 30 -3.290 6.433 8.484 1.00 0.00 O ATOM 521 NE2 GLN A 30 -4.205 8.395 7.927 1.00 0.00 N ATOM 0 H GLN A 30 0.638 5.374 6.187 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.223 6.235 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.624 5.559 6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.792 6.998 7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.478 8.385 6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.327 6.924 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.287 9.145 7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.729 8.444 8.801 1.00 0.00 H new ATOM 530 N ASP A 31 0.651 8.671 5.485 1.00 0.00 N ATOM 531 CA ASP A 31 1.113 10.024 5.194 1.00 0.00 C ATOM 532 C ASP A 31 1.767 10.093 3.814 1.00 0.00 C ATOM 533 O ASP A 31 1.639 11.088 3.108 1.00 0.00 O ATOM 534 CB ASP A 31 2.099 10.483 6.271 1.00 0.00 C ATOM 535 CG ASP A 31 2.672 11.859 6.000 1.00 0.00 C ATOM 536 OD1 ASP A 31 1.971 12.863 6.250 1.00 0.00 O ATOM 537 OD2 ASP A 31 3.844 11.943 5.570 1.00 0.00 O ATOM 0 H ASP A 31 1.098 8.239 6.294 1.00 0.00 H new ATOM 0 HA ASP A 31 0.250 10.690 5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.596 10.489 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.914 9.763 6.340 1.00 0.00 H new ATOM 542 N ASP A 32 2.435 9.010 3.429 1.00 0.00 N ATOM 543 CA ASP A 32 3.130 8.935 2.143 1.00 0.00 C ATOM 544 C ASP A 32 2.115 8.852 1.011 1.00 0.00 C ATOM 545 O ASP A 32 2.154 9.613 0.043 1.00 0.00 O ATOM 546 CB ASP A 32 4.023 7.697 2.116 1.00 0.00 C ATOM 547 CG ASP A 32 5.172 7.805 1.139 1.00 0.00 C ATOM 548 OD1 ASP A 32 6.258 8.247 1.563 1.00 0.00 O ATOM 549 OD2 ASP A 32 5.006 7.427 -0.040 1.00 0.00 O ATOM 0 H ASP A 32 2.511 8.164 3.993 1.00 0.00 H new ATOM 0 HA ASP A 32 3.741 9.829 2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.421 7.524 3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.418 6.828 1.859 1.00 0.00 H new ATOM 554 N ILE A 33 1.188 7.924 1.174 1.00 0.00 N ATOM 555 CA ILE A 33 0.126 7.679 0.216 1.00 0.00 C ATOM 556 C ILE A 33 -0.808 8.880 0.116 1.00 0.00 C ATOM 557 O ILE A 33 -1.375 9.164 -0.940 1.00 0.00 O ATOM 558 CB ILE A 33 -0.679 6.428 0.632 1.00 0.00 C ATOM 559 CG1 ILE A 33 0.238 5.207 0.673 1.00 0.00 C ATOM 560 CG2 ILE A 33 -1.827 6.189 -0.332 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.325 4.044 1.462 1.00 0.00 C ATOM 0 H ILE A 33 1.152 7.311 1.988 1.00 0.00 H new ATOM 0 HA ILE A 33 0.580 7.513 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.093 6.594 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.436 4.879 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.195 5.498 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.383 5.304 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.491 7.054 -0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.433 6.038 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.383 3.216 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.497 4.353 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.267 3.725 1.017 1.00 0.00 H new ATOM 573 N LYS A 34 -0.950 9.592 1.215 1.00 0.00 N ATOM 574 CA LYS A 34 -1.846 10.726 1.275 1.00 0.00 C ATOM 575 C LYS A 34 -1.150 11.969 0.754 1.00 0.00 C ATOM 576 O LYS A 34 -1.781 12.855 0.180 1.00 0.00 O ATOM 577 CB LYS A 34 -2.327 10.916 2.703 1.00 0.00 C ATOM 578 CG LYS A 34 -3.460 11.913 2.848 1.00 0.00 C ATOM 579 CD LYS A 34 -4.207 11.704 4.149 1.00 0.00 C ATOM 580 CE LYS A 34 -5.255 12.780 4.370 1.00 0.00 C ATOM 581 NZ LYS A 34 -4.634 14.111 4.597 1.00 0.00 N ATOM 0 H LYS A 34 -0.452 9.402 2.085 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.714 10.543 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -2.652 9.953 3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.488 11.244 3.317 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.063 12.927 2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.148 11.810 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.686 10.725 4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.501 11.707 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.915 12.829 3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.873 12.515 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.347 14.767 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.854 14.018 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.266 14.480 3.697 1.00 0.00 H new ATOM 595 N ASP A 35 0.155 12.027 0.944 1.00 0.00 N ATOM 596 CA ASP A 35 0.955 13.077 0.335 1.00 0.00 C ATOM 597 C ASP A 35 0.851 12.998 -1.177 1.00 0.00 C ATOM 598 O ASP A 35 0.552 13.985 -1.849 1.00 0.00 O ATOM 599 CB ASP A 35 2.419 12.961 0.733 1.00 0.00 C ATOM 600 CG ASP A 35 3.262 14.059 0.111 1.00 0.00 C ATOM 601 OD1 ASP A 35 3.944 13.800 -0.906 1.00 0.00 O ATOM 602 OD2 ASP A 35 3.228 15.196 0.621 1.00 0.00 O ATOM 0 H ASP A 35 0.683 11.364 1.512 1.00 0.00 H new ATOM 0 HA ASP A 35 0.569 14.033 0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.505 13.008 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.803 11.989 0.424 1.00 0.00 H new ATOM 607 N LYS A 36 1.092 11.806 -1.695 1.00 0.00 N ATOM 608 CA LYS A 36 1.059 11.564 -3.128 1.00 0.00 C ATOM 609 C LYS A 36 -0.358 11.605 -3.691 1.00 0.00 C ATOM 610 O LYS A 36 -0.663 12.410 -4.566 1.00 0.00 O ATOM 611 CB LYS A 36 1.703 10.218 -3.448 1.00 0.00 C ATOM 612 CG LYS A 36 3.209 10.222 -3.304 1.00 0.00 C ATOM 613 CD LYS A 36 3.700 8.918 -2.745 1.00 0.00 C ATOM 614 CE LYS A 36 5.215 8.881 -2.689 1.00 0.00 C ATOM 615 NZ LYS A 36 5.827 8.777 -4.039 1.00 0.00 N ATOM 0 H LYS A 36 1.315 10.982 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 36 1.624 12.367 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.285 9.458 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.444 9.933 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.670 10.402 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.513 11.039 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.293 8.772 -1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.336 8.095 -3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.580 9.782 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.533 8.033 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.421 7.925 -4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.077 8.716 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.412 9.617 -4.220 1.00 0.00 H new ATOM 629 N TYR A 37 -1.221 10.742 -3.180 1.00 0.00 N ATOM 630 CA TYR A 37 -2.533 10.544 -3.776 1.00 0.00 C ATOM 631 C TYR A 37 -3.631 11.156 -2.919 1.00 0.00 C ATOM 632 O TYR A 37 -4.597 11.712 -3.437 1.00 0.00 O ATOM 633 CB TYR A 37 -2.776 9.049 -3.978 1.00 0.00 C ATOM 634 CG TYR A 37 -1.616 8.365 -4.661 1.00 0.00 C ATOM 635 CD1 TYR A 37 -1.375 8.552 -6.013 1.00 0.00 C ATOM 636 CD2 TYR A 37 -0.748 7.552 -3.945 1.00 0.00 C ATOM 637 CE1 TYR A 37 -0.302 7.947 -6.635 1.00 0.00 C ATOM 638 CE2 TYR A 37 0.325 6.941 -4.558 1.00 0.00 C ATOM 639 CZ TYR A 37 0.545 7.144 -5.905 1.00 0.00 C ATOM 640 OH TYR A 37 1.616 6.545 -6.522 1.00 0.00 O ATOM 0 H TYR A 37 -1.038 10.169 -2.356 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.557 11.049 -4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.954 8.579 -3.011 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.679 8.907 -4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.037 9.181 -6.589 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.916 7.395 -2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.128 8.103 -7.689 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.989 6.308 -3.988 1.00 0.00 H new ATOM 0 HH TYR A 37 2.307 6.345 -5.857 1.00 0.00 H new ATOM 650 N GLY A 38 -3.470 11.070 -1.609 1.00 0.00 N ATOM 651 CA GLY A 38 -4.469 11.615 -0.706 1.00 0.00 C ATOM 652 C GLY A 38 -5.338 10.543 -0.075 1.00 0.00 C ATOM 653 O GLY A 38 -6.495 10.788 0.257 1.00 0.00 O ATOM 0 H GLY A 38 -2.669 10.634 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.971 12.182 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.102 12.315 -1.251 1.00 0.00 H new ATOM 657 N VAL A 39 -4.778 9.355 0.095 1.00 0.00 N ATOM 658 CA VAL A 39 -5.510 8.239 0.672 1.00 0.00 C ATOM 659 C VAL A 39 -5.238 8.144 2.168 1.00 0.00 C ATOM 660 O VAL A 39 -4.115 8.356 2.612 1.00 0.00 O ATOM 661 CB VAL A 39 -5.092 6.920 0.009 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.058 5.802 0.351 1.00 0.00 C ATOM 663 CG2 VAL A 39 -4.974 7.085 -1.499 1.00 0.00 C ATOM 0 H VAL A 39 -3.814 9.139 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.573 8.411 0.502 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.112 6.648 0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.735 4.881 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.078 5.656 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.057 6.064 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.677 6.137 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.936 7.393 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.224 7.844 -1.724 1.00 0.00 H new ATOM 673 N ASP A 40 -6.262 7.804 2.935 1.00 0.00 N ATOM 674 CA ASP A 40 -6.147 7.789 4.393 1.00 0.00 C ATOM 675 C ASP A 40 -6.056 6.355 4.920 1.00 0.00 C ATOM 676 O ASP A 40 -6.096 6.111 6.121 1.00 0.00 O ATOM 677 CB ASP A 40 -7.338 8.527 5.005 1.00 0.00 C ATOM 678 CG ASP A 40 -7.078 8.988 6.424 1.00 0.00 C ATOM 679 OD1 ASP A 40 -6.297 9.948 6.605 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.678 8.425 7.360 1.00 0.00 O ATOM 0 H ASP A 40 -7.179 7.535 2.579 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.229 8.300 4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.581 9.391 4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.209 7.872 4.995 1.00 0.00 H new ATOM 685 N THR A 41 -5.940 5.432 3.969 1.00 0.00 N ATOM 686 CA THR A 41 -5.720 3.987 4.186 1.00 0.00 C ATOM 687 C THR A 41 -6.750 3.269 5.083 1.00 0.00 C ATOM 688 O THR A 41 -6.794 2.038 5.100 1.00 0.00 O ATOM 689 CB THR A 41 -4.295 3.691 4.696 1.00 0.00 C ATOM 690 OG1 THR A 41 -4.035 4.365 5.928 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.258 4.106 3.664 1.00 0.00 C ATOM 0 H THR A 41 -5.998 5.671 2.979 1.00 0.00 H new ATOM 0 HA THR A 41 -5.860 3.569 3.189 1.00 0.00 H new ATOM 0 HB THR A 41 -4.226 2.616 4.864 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.194 4.037 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.260 3.889 4.044 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.423 3.553 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.347 5.175 3.468 1.00 0.00 H new ATOM 699 N LYS A 42 -7.573 4.014 5.809 1.00 0.00 N ATOM 700 CA LYS A 42 -8.595 3.430 6.675 1.00 0.00 C ATOM 701 C LYS A 42 -9.567 2.549 5.896 1.00 0.00 C ATOM 702 O LYS A 42 -10.025 1.521 6.392 1.00 0.00 O ATOM 703 CB LYS A 42 -9.382 4.538 7.366 1.00 0.00 C ATOM 704 CG LYS A 42 -8.600 5.304 8.417 1.00 0.00 C ATOM 705 CD LYS A 42 -9.446 6.412 9.026 1.00 0.00 C ATOM 706 CE LYS A 42 -10.731 5.866 9.626 1.00 0.00 C ATOM 707 NZ LYS A 42 -11.669 6.948 10.024 1.00 0.00 N ATOM 0 H LYS A 42 -7.554 5.034 5.816 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.082 2.809 7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.736 5.240 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.264 4.102 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.271 4.621 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.703 5.731 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.873 6.926 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.686 7.151 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.219 5.213 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.493 5.256 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.531 6.529 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.215 7.557 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.918 7.516 9.189 1.00 0.00 H new ATOM 721 N ASP A 43 -9.877 2.970 4.681 1.00 0.00 N ATOM 722 CA ASP A 43 -10.886 2.302 3.860 1.00 0.00 C ATOM 723 C ASP A 43 -10.362 0.991 3.299 1.00 0.00 C ATOM 724 O ASP A 43 -11.106 0.028 3.123 1.00 0.00 O ATOM 725 CB ASP A 43 -11.284 3.212 2.706 1.00 0.00 C ATOM 726 CG ASP A 43 -12.709 2.978 2.249 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.639 3.364 2.984 1.00 0.00 O ATOM 728 OD2 ASP A 43 -12.906 2.418 1.152 1.00 0.00 O ATOM 0 H ASP A 43 -9.443 3.778 4.234 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.749 2.088 4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.170 4.252 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.606 3.049 1.868 1.00 0.00 H new ATOM 733 N LEU A 44 -9.068 0.974 3.039 1.00 0.00 N ATOM 734 CA LEU A 44 -8.417 -0.129 2.346 1.00 0.00 C ATOM 735 C LEU A 44 -8.551 -1.453 3.090 1.00 0.00 C ATOM 736 O LEU A 44 -8.035 -1.617 4.196 1.00 0.00 O ATOM 737 CB LEU A 44 -6.939 0.181 2.160 1.00 0.00 C ATOM 738 CG LEU A 44 -6.628 1.572 1.609 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.128 1.783 1.550 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.252 1.763 0.234 1.00 0.00 C ATOM 0 H LEU A 44 -8.433 1.728 3.303 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.916 -0.235 1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.437 0.068 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.511 -0.562 1.488 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.061 2.315 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.916 2.777 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.708 1.692 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.680 1.032 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.017 2.761 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.853 1.017 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.334 1.649 0.306 1.00 0.00 H new ATOM 752 N LYS A 45 -9.240 -2.386 2.461 1.00 0.00 N ATOM 753 CA LYS A 45 -9.315 -3.757 2.937 1.00 0.00 C ATOM 754 C LYS A 45 -8.214 -4.570 2.279 1.00 0.00 C ATOM 755 O LYS A 45 -8.264 -4.831 1.082 1.00 0.00 O ATOM 756 CB LYS A 45 -10.692 -4.345 2.610 1.00 0.00 C ATOM 757 CG LYS A 45 -10.766 -5.861 2.636 1.00 0.00 C ATOM 758 CD LYS A 45 -12.184 -6.341 2.353 1.00 0.00 C ATOM 759 CE LYS A 45 -12.303 -7.858 2.363 1.00 0.00 C ATOM 760 NZ LYS A 45 -11.529 -8.492 1.264 1.00 0.00 N ATOM 0 H LYS A 45 -9.765 -2.216 1.603 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.180 -3.784 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.417 -3.949 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.993 -3.999 1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.083 -6.275 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.441 -6.228 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.860 -5.923 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.505 -5.962 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.951 -8.241 3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.353 -8.138 2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.734 -9.511 1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.798 -8.061 0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.512 -8.348 1.427 1.00 0.00 H new ATOM 774 N ILE A 46 -7.209 -4.946 3.046 1.00 0.00 N ATOM 775 CA ILE A 46 -6.059 -5.628 2.481 1.00 0.00 C ATOM 776 C ILE A 46 -6.395 -7.056 2.078 1.00 0.00 C ATOM 777 O ILE A 46 -6.796 -7.878 2.900 1.00 0.00 O ATOM 778 CB ILE A 46 -4.853 -5.605 3.435 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.421 -4.155 3.671 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.709 -6.426 2.855 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.174 -4.008 4.507 1.00 0.00 C ATOM 0 H ILE A 46 -7.164 -4.793 4.053 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.782 -5.079 1.581 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.134 -6.048 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.256 -3.675 2.706 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.236 -3.620 4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.861 -6.402 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.035 -7.457 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.411 -6.007 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.938 -2.950 4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.338 -4.455 5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.343 -4.512 4.013 1.00 0.00 H new ATOM 793 N LEU A 47 -6.224 -7.322 0.794 1.00 0.00 N ATOM 794 CA LEU A 47 -6.550 -8.609 0.203 1.00 0.00 C ATOM 795 C LEU A 47 -5.333 -9.517 0.231 1.00 0.00 C ATOM 796 O LEU A 47 -5.426 -10.704 0.540 1.00 0.00 O ATOM 797 CB LEU A 47 -6.981 -8.420 -1.252 1.00 0.00 C ATOM 798 CG LEU A 47 -7.887 -7.217 -1.521 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.226 -7.127 -3.002 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.156 -7.303 -0.688 1.00 0.00 C ATOM 0 H LEU A 47 -5.852 -6.646 0.127 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.361 -9.057 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.087 -8.324 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.498 -9.322 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.350 -6.313 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.871 -6.266 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.308 -7.015 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.742 -8.035 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.786 -6.438 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.697 -8.215 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.896 -7.318 0.370 1.00 0.00 H new ATOM 812 N LYS A 48 -4.187 -8.938 -0.097 1.00 0.00 N ATOM 813 CA LYS A 48 -2.962 -9.693 -0.235 1.00 0.00 C ATOM 814 C LYS A 48 -1.750 -8.802 -0.030 1.00 0.00 C ATOM 815 O LYS A 48 -1.411 -7.991 -0.892 1.00 0.00 O ATOM 816 CB LYS A 48 -2.889 -10.339 -1.620 1.00 0.00 C ATOM 817 CG LYS A 48 -1.654 -11.203 -1.824 1.00 0.00 C ATOM 818 CD LYS A 48 -1.733 -11.991 -3.119 1.00 0.00 C ATOM 819 CE LYS A 48 -0.485 -12.834 -3.345 1.00 0.00 C ATOM 820 NZ LYS A 48 0.726 -11.998 -3.561 1.00 0.00 N ATOM 0 H LYS A 48 -4.086 -7.938 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.960 -10.471 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.779 -10.949 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.904 -9.556 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.765 -10.572 -1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.547 -11.890 -0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.610 -12.638 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.864 -11.304 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.327 -13.484 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.637 -13.481 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.399 -12.511 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.455 -11.107 -4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.173 -11.791 -2.645 1.00 0.00 H new ATOM 834 N THR A 49 -1.126 -8.934 1.122 1.00 0.00 N ATOM 835 CA THR A 49 0.159 -8.313 1.354 1.00 0.00 C ATOM 836 C THR A 49 1.243 -9.285 0.923 1.00 0.00 C ATOM 837 O THR A 49 1.164 -10.470 1.239 1.00 0.00 O ATOM 838 CB THR A 49 0.364 -7.967 2.843 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.819 -7.369 3.379 1.00 0.00 O ATOM 840 CG2 THR A 49 1.539 -7.016 3.023 1.00 0.00 C ATOM 0 H THR A 49 -1.489 -9.467 1.912 1.00 0.00 H new ATOM 0 HA THR A 49 0.205 -7.386 0.783 1.00 0.00 H new ATOM 0 HB THR A 49 0.577 -8.893 3.377 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.739 -7.302 4.353 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.663 -6.787 4.081 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.447 -7.484 2.644 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.349 -6.095 2.472 1.00 0.00 H new ATOM 848 N SER A 50 2.213 -8.821 0.162 1.00 0.00 N ATOM 849 CA SER A 50 3.360 -9.644 -0.187 1.00 0.00 C ATOM 850 C SER A 50 4.543 -8.754 -0.528 1.00 0.00 C ATOM 851 O SER A 50 4.406 -7.531 -0.603 1.00 0.00 O ATOM 852 CB SER A 50 3.042 -10.559 -1.377 1.00 0.00 C ATOM 853 OG SER A 50 1.836 -11.282 -1.177 1.00 0.00 O ATOM 0 H SER A 50 2.233 -7.879 -0.228 1.00 0.00 H new ATOM 0 HA SER A 50 3.605 -10.271 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.961 -9.961 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.864 -11.258 -1.528 1.00 0.00 H new ATOM 0 HG SER A 50 1.664 -11.373 -0.216 1.00 0.00 H new ATOM 859 N GLU A 51 5.697 -9.359 -0.741 1.00 0.00 N ATOM 860 CA GLU A 51 6.882 -8.601 -1.086 1.00 0.00 C ATOM 861 C GLU A 51 7.596 -9.229 -2.267 1.00 0.00 C ATOM 862 O GLU A 51 7.546 -10.443 -2.477 1.00 0.00 O ATOM 863 CB GLU A 51 7.842 -8.497 0.099 1.00 0.00 C ATOM 864 CG GLU A 51 8.487 -9.816 0.489 1.00 0.00 C ATOM 865 CD GLU A 51 9.586 -9.646 1.515 1.00 0.00 C ATOM 866 OE1 GLU A 51 10.357 -8.672 1.404 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.694 -10.489 2.424 1.00 0.00 O ATOM 0 H GLU A 51 5.837 -10.368 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 51 6.558 -7.596 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.625 -7.779 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.301 -8.101 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.724 -10.485 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.897 -10.293 -0.401 1.00 0.00 H new ATOM 874 N ASP A 52 8.258 -8.386 -3.025 1.00 0.00 N ATOM 875 CA ASP A 52 9.030 -8.817 -4.173 1.00 0.00 C ATOM 876 C ASP A 52 10.394 -8.137 -4.114 1.00 0.00 C ATOM 877 O ASP A 52 10.705 -7.462 -3.127 1.00 0.00 O ATOM 878 CB ASP A 52 8.284 -8.466 -5.470 1.00 0.00 C ATOM 879 CG ASP A 52 8.827 -9.194 -6.685 1.00 0.00 C ATOM 880 OD1 ASP A 52 9.617 -8.593 -7.440 1.00 0.00 O ATOM 881 OD2 ASP A 52 8.479 -10.375 -6.885 1.00 0.00 O ATOM 0 H ASP A 52 8.278 -7.379 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 52 9.168 -9.898 -4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.228 -8.708 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.348 -7.391 -5.639 1.00 0.00 H new ATOM 886 N LYS A 53 11.205 -8.308 -5.142 1.00 0.00 N ATOM 887 CA LYS A 53 12.525 -7.703 -5.173 1.00 0.00 C ATOM 888 C LYS A 53 12.412 -6.186 -5.250 1.00 0.00 C ATOM 889 O LYS A 53 11.893 -5.648 -6.226 1.00 0.00 O ATOM 890 CB LYS A 53 13.330 -8.243 -6.357 1.00 0.00 C ATOM 891 CG LYS A 53 13.723 -9.704 -6.200 1.00 0.00 C ATOM 892 CD LYS A 53 14.739 -9.880 -5.085 1.00 0.00 C ATOM 893 CE LYS A 53 15.017 -11.345 -4.796 1.00 0.00 C ATOM 894 NZ LYS A 53 15.450 -12.092 -6.005 1.00 0.00 N ATOM 0 H LYS A 53 10.973 -8.861 -5.967 1.00 0.00 H new ATOM 0 HA LYS A 53 13.049 -7.963 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.744 -8.127 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.231 -7.642 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.837 -10.301 -5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.139 -10.075 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.669 -9.382 -5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.372 -9.395 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.789 -11.421 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.118 -11.809 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.772 -13.042 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.651 -12.175 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.230 -11.582 -6.467 1.00 0.00 H new ATOM 908 N ARG A 54 12.845 -5.519 -4.175 1.00 0.00 N ATOM 909 CA ARG A 54 12.901 -4.053 -4.101 1.00 0.00 C ATOM 910 C ARG A 54 11.509 -3.441 -3.893 1.00 0.00 C ATOM 911 O ARG A 54 11.387 -2.288 -3.482 1.00 0.00 O ATOM 912 CB ARG A 54 13.555 -3.474 -5.367 1.00 0.00 C ATOM 913 CG ARG A 54 14.231 -2.128 -5.172 1.00 0.00 C ATOM 914 CD ARG A 54 14.828 -1.629 -6.478 1.00 0.00 C ATOM 915 NE ARG A 54 15.803 -0.558 -6.284 1.00 0.00 N ATOM 916 CZ ARG A 54 16.004 0.425 -7.162 1.00 0.00 C ATOM 917 NH1 ARG A 54 15.260 0.500 -8.258 1.00 0.00 N ATOM 918 NH2 ARG A 54 16.952 1.327 -6.951 1.00 0.00 N ATOM 0 H ARG A 54 13.169 -5.983 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 54 13.510 -3.792 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.293 -4.186 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.793 -3.374 -6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.508 -1.404 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.014 -2.215 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.307 -2.461 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.027 -1.272 -7.125 1.00 0.00 H new ATOM 0 HE ARG A 54 16.360 -0.563 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.533 -0.195 -8.430 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.415 1.253 -8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.532 1.271 -6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.102 2.077 -7.626 1.00 0.00 H new ATOM 932 N PHE A 55 10.460 -4.214 -4.154 1.00 0.00 N ATOM 933 CA PHE A 55 9.098 -3.692 -4.081 1.00 0.00 C ATOM 934 C PHE A 55 8.232 -4.473 -3.095 1.00 0.00 C ATOM 935 O PHE A 55 8.421 -5.669 -2.889 1.00 0.00 O ATOM 936 CB PHE A 55 8.438 -3.735 -5.462 1.00 0.00 C ATOM 937 CG PHE A 55 9.243 -3.091 -6.554 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.697 -3.839 -7.628 1.00 0.00 C ATOM 939 CD2 PHE A 55 9.546 -1.740 -6.508 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.436 -3.253 -8.637 1.00 0.00 C ATOM 941 CE2 PHE A 55 10.285 -1.149 -7.514 1.00 0.00 C ATOM 942 CZ PHE A 55 10.730 -1.907 -8.579 1.00 0.00 C ATOM 0 H PHE A 55 10.524 -5.198 -4.416 1.00 0.00 H new ATOM 0 HA PHE A 55 9.173 -2.663 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.251 -4.775 -5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.468 -3.242 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.470 -4.894 -7.677 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.201 -1.143 -5.677 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.783 -3.847 -9.469 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.515 -0.095 -7.468 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.308 -1.446 -9.366 1.00 0.00 H new ATOM 952 N TYR A 56 7.302 -3.768 -2.472 1.00 0.00 N ATOM 953 CA TYR A 56 6.245 -4.379 -1.680 1.00 0.00 C ATOM 954 C TYR A 56 4.941 -4.272 -2.448 1.00 0.00 C ATOM 955 O TYR A 56 4.759 -3.336 -3.227 1.00 0.00 O ATOM 956 CB TYR A 56 6.086 -3.672 -0.330 1.00 0.00 C ATOM 957 CG TYR A 56 6.453 -4.520 0.861 1.00 0.00 C ATOM 958 CD1 TYR A 56 7.678 -4.368 1.486 1.00 0.00 C ATOM 959 CD2 TYR A 56 5.574 -5.473 1.359 1.00 0.00 C ATOM 960 CE1 TYR A 56 8.024 -5.140 2.575 1.00 0.00 C ATOM 961 CE2 TYR A 56 5.909 -6.250 2.448 1.00 0.00 C ATOM 962 CZ TYR A 56 7.135 -6.081 3.053 1.00 0.00 C ATOM 963 OH TYR A 56 7.471 -6.854 4.137 1.00 0.00 O ATOM 0 H TYR A 56 7.258 -2.749 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 56 6.504 -5.421 -1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.706 -2.775 -0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.052 -3.345 -0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.375 -3.632 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.613 -5.608 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.985 -5.009 3.051 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.214 -6.986 2.824 1.00 0.00 H new ATOM 0 HH TYR A 56 6.733 -7.465 4.345 1.00 0.00 H new ATOM 973 N TYR A 57 4.042 -5.211 -2.239 1.00 0.00 N ATOM 974 CA TYR A 57 2.767 -5.193 -2.931 1.00 0.00 C ATOM 975 C TYR A 57 1.626 -5.473 -1.969 1.00 0.00 C ATOM 976 O TYR A 57 1.457 -6.597 -1.497 1.00 0.00 O ATOM 977 CB TYR A 57 2.762 -6.210 -4.074 1.00 0.00 C ATOM 978 CG TYR A 57 3.701 -5.847 -5.203 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.346 -4.893 -6.148 1.00 0.00 C ATOM 980 CD2 TYR A 57 4.946 -6.451 -5.319 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.202 -4.551 -7.176 1.00 0.00 C ATOM 982 CE2 TYR A 57 5.808 -6.116 -6.344 1.00 0.00 C ATOM 983 CZ TYR A 57 5.431 -5.165 -7.269 1.00 0.00 C ATOM 984 OH TYR A 57 6.290 -4.825 -8.288 1.00 0.00 O ATOM 0 H TYR A 57 4.168 -5.994 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 57 2.624 -4.197 -3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.038 -7.189 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.749 -6.299 -4.467 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.383 -4.410 -6.077 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.245 -7.195 -4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.910 -3.807 -7.902 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.772 -6.596 -6.421 1.00 0.00 H new ATOM 0 HH TYR A 57 7.143 -4.526 -7.910 1.00 0.00 H new ATOM 994 N VAL A 58 0.863 -4.436 -1.657 1.00 0.00 N ATOM 995 CA VAL A 58 -0.305 -4.588 -0.806 1.00 0.00 C ATOM 996 C VAL A 58 -1.581 -4.432 -1.623 1.00 0.00 C ATOM 997 O VAL A 58 -2.025 -3.314 -1.890 1.00 0.00 O ATOM 998 CB VAL A 58 -0.329 -3.567 0.355 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.462 -3.896 1.311 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.003 -3.535 1.087 1.00 0.00 C ATOM 0 H VAL A 58 1.032 -3.483 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.248 -5.589 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.498 -2.574 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.472 -3.172 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.412 -3.855 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.317 -4.897 1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.955 -2.808 1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.217 -4.522 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.793 -3.252 0.392 1.00 0.00 H new ATOM 1010 N SER A 59 -2.153 -5.549 -2.042 1.00 0.00 N ATOM 1011 CA SER A 59 -3.401 -5.524 -2.784 1.00 0.00 C ATOM 1012 C SER A 59 -4.546 -5.263 -1.818 1.00 0.00 C ATOM 1013 O SER A 59 -4.638 -5.911 -0.778 1.00 0.00 O ATOM 1014 CB SER A 59 -3.616 -6.846 -3.523 1.00 0.00 C ATOM 1015 OG SER A 59 -4.716 -6.768 -4.415 1.00 0.00 O ATOM 0 H SER A 59 -1.773 -6.482 -1.881 1.00 0.00 H new ATOM 0 HA SER A 59 -3.363 -4.728 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.714 -7.105 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.787 -7.644 -2.801 1.00 0.00 H new ATOM 0 HG SER A 59 -4.885 -5.830 -4.645 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.404 -4.309 -2.151 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.470 -3.898 -1.248 1.00 0.00 C ATOM 1023 C VAL A 60 -7.768 -3.621 -1.992 1.00 0.00 C ATOM 1024 O VAL A 60 -7.764 -3.259 -3.170 1.00 0.00 O ATOM 1025 CB VAL A 60 -6.094 -2.624 -0.456 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.832 -2.838 0.359 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.928 -1.440 -1.392 1.00 0.00 C ATOM 0 H VAL A 60 -5.383 -3.806 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.611 -4.732 -0.560 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.909 -2.408 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.592 -1.926 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.989 -3.653 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.007 -3.089 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.664 -0.554 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.138 -1.653 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.863 -1.262 -1.922 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.872 -3.805 -1.291 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.177 -3.382 -1.767 1.00 0.00 C ATOM 1039 C ASP A 61 -10.273 -1.874 -1.586 1.00 0.00 C ATOM 1040 O ASP A 61 -10.386 -1.383 -0.462 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.275 -4.095 -0.970 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.675 -3.838 -1.493 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -13.298 -4.790 -2.018 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -13.173 -2.704 -1.349 1.00 0.00 O ATOM 0 H ASP A 61 -8.889 -4.252 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.307 -3.637 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.083 -5.168 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.221 -3.775 0.071 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.179 -1.140 -2.684 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.069 0.313 -2.620 1.00 0.00 C ATOM 1051 C ALA A 62 -11.410 0.998 -2.838 1.00 0.00 C ATOM 1052 O ALA A 62 -11.476 2.088 -3.411 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.057 0.805 -3.638 1.00 0.00 C ATOM 0 H ALA A 62 -10.176 -1.523 -3.629 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.730 0.572 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.983 1.891 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.083 0.363 -3.426 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.377 0.515 -4.639 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.472 0.372 -2.368 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.781 0.968 -2.477 1.00 0.00 C ATOM 1061 C GLY A 63 -14.879 -0.015 -2.162 1.00 0.00 C ATOM 1062 O GLY A 63 -15.210 -0.235 -1.000 1.00 0.00 O ATOM 0 H GLY A 63 -12.451 -0.540 -1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.850 1.818 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.920 1.355 -3.487 1.00 0.00 H new ATOM 1066 N ASP A 64 -15.441 -0.606 -3.200 1.00 0.00 N ATOM 1067 CA ASP A 64 -16.500 -1.595 -3.042 1.00 0.00 C ATOM 1068 C ASP A 64 -16.282 -2.772 -3.984 1.00 0.00 C ATOM 1069 O ASP A 64 -17.016 -3.762 -3.938 1.00 0.00 O ATOM 1070 CB ASP A 64 -17.866 -0.964 -3.322 1.00 0.00 C ATOM 1071 CG ASP A 64 -18.064 -0.629 -4.787 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -18.992 -1.180 -5.409 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -17.286 0.186 -5.329 1.00 0.00 O ATOM 0 H ASP A 64 -15.182 -0.419 -4.169 1.00 0.00 H new ATOM 0 HA ASP A 64 -16.474 -1.955 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -18.651 -1.648 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -17.971 -0.056 -2.728 1.00 0.00 H new ATOM 1078 N GLY A 65 -15.268 -2.670 -4.831 1.00 0.00 N ATOM 1079 CA GLY A 65 -15.024 -3.703 -5.815 1.00 0.00 C ATOM 1080 C GLY A 65 -13.688 -3.546 -6.505 1.00 0.00 C ATOM 1081 O GLY A 65 -13.086 -4.532 -6.928 1.00 0.00 O ATOM 0 H GLY A 65 -14.610 -1.891 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.066 -4.678 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.818 -3.684 -6.561 1.00 0.00 H new ATOM 1085 N GLU A 66 -13.219 -2.309 -6.627 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.951 -2.046 -7.273 1.00 0.00 C ATOM 1087 C GLU A 66 -10.798 -2.576 -6.443 1.00 0.00 C ATOM 1088 O GLU A 66 -10.615 -2.198 -5.285 1.00 0.00 O ATOM 1089 CB GLU A 66 -11.784 -0.559 -7.533 1.00 0.00 C ATOM 1090 CG GLU A 66 -12.697 -0.049 -8.628 1.00 0.00 C ATOM 1091 CD GLU A 66 -12.425 1.392 -8.985 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -11.838 1.642 -10.058 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -12.781 2.280 -8.187 1.00 0.00 O ATOM 0 H GLU A 66 -13.702 -1.478 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.944 -2.567 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.985 -0.009 -6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.748 -0.357 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.575 -0.669 -9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.734 -0.151 -8.308 1.00 0.00 H new ATOM 1100 N LYS A 67 -10.018 -3.446 -7.053 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.951 -4.121 -6.359 1.00 0.00 C ATOM 1102 C LYS A 67 -7.622 -3.470 -6.691 1.00 0.00 C ATOM 1103 O LYS A 67 -7.099 -3.603 -7.797 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.948 -5.609 -6.705 1.00 0.00 C ATOM 1105 CG LYS A 67 -10.243 -6.302 -6.311 1.00 0.00 C ATOM 1106 CD LYS A 67 -10.262 -7.762 -6.724 1.00 0.00 C ATOM 1107 CE LYS A 67 -11.574 -8.420 -6.327 1.00 0.00 C ATOM 1108 NZ LYS A 67 -11.688 -9.806 -6.852 1.00 0.00 N ATOM 0 H LYS A 67 -10.108 -3.700 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.111 -4.033 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.787 -5.729 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.112 -6.094 -6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.378 -6.230 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.084 -5.785 -6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.122 -7.841 -7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.430 -8.288 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.656 -8.437 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.406 -7.822 -6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.597 -10.215 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.636 -9.789 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.910 -10.385 -6.476 1.00 0.00 H new ATOM 1122 N CYS A 68 -7.096 -2.745 -5.730 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.881 -1.989 -5.922 1.00 0.00 C ATOM 1124 C CYS A 68 -4.710 -2.751 -5.337 1.00 0.00 C ATOM 1125 O CYS A 68 -4.878 -3.836 -4.780 1.00 0.00 O ATOM 1126 CB CYS A 68 -6.020 -0.618 -5.255 1.00 0.00 C ATOM 1127 SG CYS A 68 -4.930 0.675 -5.934 1.00 0.00 S ATOM 0 H CYS A 68 -7.498 -2.663 -4.796 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.703 -1.843 -6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.054 -0.287 -5.348 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.814 -0.725 -4.190 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.534 -2.189 -5.481 1.00 0.00 N ATOM 1133 CA LYS A 69 -2.328 -2.779 -4.944 1.00 0.00 C ATOM 1134 C LYS A 69 -1.288 -1.691 -4.759 1.00 0.00 C ATOM 1135 O LYS A 69 -0.825 -1.088 -5.726 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.806 -3.876 -5.871 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.558 -4.567 -5.357 1.00 0.00 C ATOM 1138 CD LYS A 69 -0.046 -5.604 -6.344 1.00 0.00 C ATOM 1139 CE LYS A 69 -1.050 -6.722 -6.565 1.00 0.00 C ATOM 1140 NZ LYS A 69 -0.534 -7.742 -7.514 1.00 0.00 N ATOM 0 H LYS A 69 -3.384 -1.309 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.546 -3.238 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.589 -4.620 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.594 -3.443 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.219 -3.825 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.774 -5.048 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.174 -5.121 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.890 -6.024 -5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.283 -7.196 -5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.981 -6.305 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.271 -8.454 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.272 -7.282 -8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.302 -8.205 -7.105 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.961 -1.419 -3.514 1.00 0.00 N ATOM 1155 CA PHE A 70 -0.003 -0.381 -3.190 1.00 0.00 C ATOM 1156 C PHE A 70 1.408 -0.899 -3.372 1.00 0.00 C ATOM 1157 O PHE A 70 1.842 -1.813 -2.664 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.224 0.112 -1.761 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.466 0.944 -1.615 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -1.376 2.278 -1.265 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.718 0.399 -1.843 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -2.512 3.052 -1.144 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.855 1.169 -1.723 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.753 2.498 -1.374 1.00 0.00 C ATOM 0 H PHE A 70 -1.347 -1.905 -2.704 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.147 0.461 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.287 -0.746 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.639 0.699 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.407 2.719 -1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.805 -0.642 -2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.429 4.093 -0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.826 0.731 -1.903 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.642 3.104 -1.281 1.00 0.00 H new ATOM 1174 N LYS A 71 2.107 -0.329 -4.337 1.00 0.00 N ATOM 1175 CA LYS A 71 3.461 -0.738 -4.629 1.00 0.00 C ATOM 1176 C LYS A 71 4.429 0.048 -3.770 1.00 0.00 C ATOM 1177 O LYS A 71 4.897 1.128 -4.141 1.00 0.00 O ATOM 1178 CB LYS A 71 3.782 -0.540 -6.104 1.00 0.00 C ATOM 1179 CG LYS A 71 5.138 -1.087 -6.500 1.00 0.00 C ATOM 1180 CD LYS A 71 5.423 -0.836 -7.965 1.00 0.00 C ATOM 1181 CE LYS A 71 6.655 -1.613 -8.413 1.00 0.00 C ATOM 1182 NZ LYS A 71 6.961 -1.428 -9.852 1.00 0.00 N ATOM 0 H LYS A 71 1.754 0.421 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 71 3.560 -1.799 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.013 -1.025 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.745 0.524 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.913 -0.621 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.174 -2.157 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.562 -1.132 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.577 0.230 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.513 -1.297 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.503 -2.673 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.963 -1.647 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.365 -2.065 -10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.770 -0.442 -10.124 1.00 0.00 H new ATOM 1196 N ILE A 72 4.703 -0.485 -2.606 1.00 0.00 N ATOM 1197 CA ILE A 72 5.608 0.148 -1.682 1.00 0.00 C ATOM 1198 C ILE A 72 7.042 -0.171 -2.053 1.00 0.00 C ATOM 1199 O ILE A 72 7.543 -1.258 -1.787 1.00 0.00 O ATOM 1200 CB ILE A 72 5.306 -0.282 -0.237 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.037 0.423 0.245 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.481 0.018 0.681 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.435 -0.183 1.495 1.00 0.00 C ATOM 0 H ILE A 72 4.307 -1.365 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 72 5.467 1.227 -1.744 1.00 0.00 H new ATOM 0 HB ILE A 72 5.146 -1.360 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.266 1.472 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.294 0.399 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.239 -0.297 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.361 -0.523 0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.686 1.089 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.539 0.372 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.173 -1.224 1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.159 -0.134 2.308 1.00 0.00 H new ATOM 1215 N ARG A 73 7.685 0.766 -2.715 1.00 0.00 N ATOM 1216 CA ARG A 73 9.083 0.617 -3.046 1.00 0.00 C ATOM 1217 C ARG A 73 9.877 0.679 -1.754 1.00 0.00 C ATOM 1218 O ARG A 73 10.061 1.756 -1.190 1.00 0.00 O ATOM 1219 CB ARG A 73 9.513 1.712 -4.023 1.00 0.00 C ATOM 1220 CG ARG A 73 10.687 1.313 -4.907 1.00 0.00 C ATOM 1221 CD ARG A 73 10.782 2.181 -6.153 1.00 0.00 C ATOM 1222 NE ARG A 73 10.938 3.601 -5.828 1.00 0.00 N ATOM 1223 CZ ARG A 73 10.956 4.578 -6.738 1.00 0.00 C ATOM 1224 NH1 ARG A 73 10.938 4.291 -8.033 1.00 0.00 N ATOM 1225 NH2 ARG A 73 11.033 5.842 -6.353 1.00 0.00 N ATOM 0 H ARG A 73 7.262 1.638 -3.034 1.00 0.00 H new ATOM 0 HA ARG A 73 9.265 -0.339 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.666 1.976 -4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.781 2.606 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.613 1.393 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.582 0.268 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.627 1.854 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.885 2.045 -6.758 1.00 0.00 H new ATOM 0 HE ARG A 73 11.039 3.859 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.910 3.319 -8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.952 5.043 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.079 6.071 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.047 6.587 -7.049 1.00 0.00 H new ATOM 1239 N LYS A 74 10.274 -0.496 -1.266 1.00 0.00 N ATOM 1240 CA LYS A 74 10.914 -0.625 0.043 1.00 0.00 C ATOM 1241 C LYS A 74 12.010 0.413 0.209 1.00 0.00 C ATOM 1242 O LYS A 74 12.919 0.450 -0.610 1.00 0.00 O ATOM 1243 CB LYS A 74 11.501 -2.029 0.220 1.00 0.00 C ATOM 1244 CG LYS A 74 10.504 -3.151 -0.006 1.00 0.00 C ATOM 1245 CD LYS A 74 11.196 -4.502 -0.091 1.00 0.00 C ATOM 1246 CE LYS A 74 10.186 -5.632 -0.199 1.00 0.00 C ATOM 1247 NZ LYS A 74 10.833 -6.944 -0.444 1.00 0.00 N ATOM 0 H LYS A 74 10.162 -1.380 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 74 10.154 -0.460 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.334 -2.153 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.908 -2.117 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.778 -3.163 0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.949 -2.967 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.859 -4.520 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.819 -4.651 0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.602 -5.683 0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.488 -5.417 -1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.452 -7.361 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.860 -6.812 -0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.642 -7.580 0.356 1.00 0.00 H new ATOM 1261 N ASP A 75 11.899 1.208 1.294 1.00 0.00 N ATOM 1262 CA ASP A 75 12.729 2.407 1.567 1.00 0.00 C ATOM 1263 C ASP A 75 14.076 2.370 0.856 1.00 0.00 C ATOM 1264 O ASP A 75 15.101 1.998 1.434 1.00 0.00 O ATOM 1265 CB ASP A 75 12.948 2.558 3.075 1.00 0.00 C ATOM 1266 CG ASP A 75 13.256 3.985 3.489 1.00 0.00 C ATOM 1267 OD1 ASP A 75 12.294 4.717 3.823 1.00 0.00 O ATOM 1268 OD2 ASP A 75 14.441 4.376 3.504 1.00 0.00 O ATOM 0 H ASP A 75 11.211 1.031 2.026 1.00 0.00 H new ATOM 0 HA ASP A 75 12.182 3.265 1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.057 2.217 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.769 1.911 3.384 1.00 0.00 H new ATOM 1273 N VAL A 76 14.068 2.746 -0.409 1.00 0.00 N ATOM 1274 CA VAL A 76 15.235 2.586 -1.236 1.00 0.00 C ATOM 1275 C VAL A 76 15.881 3.932 -1.507 1.00 0.00 C ATOM 1276 O VAL A 76 15.352 4.758 -2.257 1.00 0.00 O ATOM 1277 CB VAL A 76 14.899 1.837 -2.552 1.00 0.00 C ATOM 1278 CG1 VAL A 76 13.773 2.519 -3.318 1.00 0.00 C ATOM 1279 CG2 VAL A 76 16.132 1.680 -3.425 1.00 0.00 C ATOM 0 H VAL A 76 13.265 3.163 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 76 15.954 1.970 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 76 14.551 0.842 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 76 13.568 1.964 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.876 2.544 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.069 3.537 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.865 1.151 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.527 2.664 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.890 1.112 -2.886 1.00 0.00 H new ATOM 1289 N ASP A 77 17.018 4.144 -0.851 1.00 0.00 N ATOM 1290 CA ASP A 77 17.751 5.416 -0.906 1.00 0.00 C ATOM 1291 C ASP A 77 17.007 6.501 -0.133 1.00 0.00 C ATOM 1292 O ASP A 77 17.543 7.079 0.811 1.00 0.00 O ATOM 1293 CB ASP A 77 17.990 5.883 -2.350 1.00 0.00 C ATOM 1294 CG ASP A 77 18.901 4.959 -3.133 1.00 0.00 C ATOM 1295 OD1 ASP A 77 20.100 5.270 -3.265 1.00 0.00 O ATOM 1296 OD2 ASP A 77 18.422 3.919 -3.628 1.00 0.00 O ATOM 0 H ASP A 77 17.463 3.439 -0.263 1.00 0.00 H new ATOM 0 HA ASP A 77 18.722 5.242 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.032 5.959 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.424 6.883 -2.335 1.00 0.00 H new ATOM 1301 N VAL A 78 15.774 6.773 -0.538 1.00 0.00 N ATOM 1302 CA VAL A 78 14.948 7.779 0.116 1.00 0.00 C ATOM 1303 C VAL A 78 13.642 7.152 0.609 1.00 0.00 C ATOM 1304 O VAL A 78 13.276 6.052 0.184 1.00 0.00 O ATOM 1305 CB VAL A 78 14.627 8.962 -0.829 1.00 0.00 C ATOM 1306 CG1 VAL A 78 15.895 9.546 -1.427 1.00 0.00 C ATOM 1307 CG2 VAL A 78 13.657 8.535 -1.916 1.00 0.00 C ATOM 0 H VAL A 78 15.320 6.306 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 78 15.515 8.165 0.963 1.00 0.00 H new ATOM 0 HB VAL A 78 14.150 9.744 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 78 15.638 10.375 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 78 16.542 9.906 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 78 16.416 8.777 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.446 9.382 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 78 14.098 7.728 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.730 8.188 -1.460 1.00 0.00 H new ATOM 1317 N PRO A 79 12.923 7.840 1.504 1.00 0.00 N ATOM 1318 CA PRO A 79 11.707 7.324 2.114 1.00 0.00 C ATOM 1319 C PRO A 79 10.440 7.703 1.347 1.00 0.00 C ATOM 1320 O PRO A 79 9.985 8.846 1.421 1.00 0.00 O ATOM 1321 CB PRO A 79 11.738 8.023 3.465 1.00 0.00 C ATOM 1322 CG PRO A 79 12.257 9.380 3.140 1.00 0.00 C ATOM 1323 CD PRO A 79 13.245 9.182 2.024 1.00 0.00 C ATOM 0 HA PRO A 79 11.679 6.235 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.747 8.069 3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.386 7.504 4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.449 10.045 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.733 9.835 4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.137 9.946 1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.272 9.236 2.385 1.00 0.00 H new ATOM 1331 N LYS A 80 9.874 6.744 0.619 1.00 0.00 N ATOM 1332 CA LYS A 80 8.637 6.965 -0.123 1.00 0.00 C ATOM 1333 C LYS A 80 8.198 5.715 -0.869 1.00 0.00 C ATOM 1334 O LYS A 80 8.983 4.793 -1.091 1.00 0.00 O ATOM 1335 CB LYS A 80 8.774 8.120 -1.119 1.00 0.00 C ATOM 1336 CG LYS A 80 7.949 9.336 -0.730 1.00 0.00 C ATOM 1337 CD LYS A 80 8.069 10.448 -1.756 1.00 0.00 C ATOM 1338 CE LYS A 80 9.489 10.974 -1.866 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.625 11.946 -2.979 1.00 0.00 N ATOM 0 H LYS A 80 10.255 5.802 0.527 1.00 0.00 H new ATOM 0 HA LYS A 80 7.879 7.221 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.823 8.407 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.466 7.779 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.903 9.048 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.277 9.702 0.243 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.743 10.080 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.400 11.265 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.775 11.451 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.175 10.142 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.607 12.285 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.375 11.483 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.988 12.752 -2.816 1.00 0.00 H new ATOM 1353 N MET A 81 6.932 5.705 -1.252 1.00 0.00 N ATOM 1354 CA MET A 81 6.361 4.633 -2.049 1.00 0.00 C ATOM 1355 C MET A 81 6.472 4.987 -3.532 1.00 0.00 C ATOM 1356 O MET A 81 6.326 6.151 -3.904 1.00 0.00 O ATOM 1357 CB MET A 81 4.903 4.452 -1.637 1.00 0.00 C ATOM 1358 CG MET A 81 4.049 3.709 -2.639 1.00 0.00 C ATOM 1359 SD MET A 81 2.295 3.995 -2.343 1.00 0.00 S ATOM 1360 CE MET A 81 2.322 5.752 -1.970 1.00 0.00 C ATOM 0 H MET A 81 6.269 6.444 -1.018 1.00 0.00 H new ATOM 0 HA MET A 81 6.898 3.699 -1.883 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.872 3.918 -0.687 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.464 5.435 -1.464 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.307 4.030 -3.648 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.261 2.641 -2.580 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.329 6.173 -2.127 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.619 5.899 -0.931 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.035 6.252 -2.625 1.00 0.00 H new ATOM 1370 N VAL A 82 6.742 3.999 -4.379 1.00 0.00 N ATOM 1371 CA VAL A 82 6.934 4.265 -5.800 1.00 0.00 C ATOM 1372 C VAL A 82 5.617 4.583 -6.495 1.00 0.00 C ATOM 1373 O VAL A 82 5.484 5.628 -7.136 1.00 0.00 O ATOM 1374 CB VAL A 82 7.643 3.094 -6.532 1.00 0.00 C ATOM 1375 CG1 VAL A 82 6.949 1.766 -6.282 1.00 0.00 C ATOM 1376 CG2 VAL A 82 7.735 3.368 -8.027 1.00 0.00 C ATOM 0 H VAL A 82 6.832 3.019 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 82 7.582 5.139 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 82 8.651 3.023 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.477 0.974 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.950 1.550 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.921 1.820 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.235 2.534 -8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.732 3.483 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.303 4.283 -8.195 1.00 0.00 H new ATOM 1386 N GLY A 83 4.640 3.703 -6.352 1.00 0.00 N ATOM 1387 CA GLY A 83 3.418 3.865 -7.089 1.00 0.00 C ATOM 1388 C GLY A 83 2.236 3.192 -6.440 1.00 0.00 C ATOM 1389 O GLY A 83 2.387 2.292 -5.613 1.00 0.00 O ATOM 0 H GLY A 83 4.675 2.886 -5.742 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.206 4.929 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.551 3.461 -8.093 1.00 0.00 H new ATOM 1393 N ARG A 84 1.057 3.647 -6.810 1.00 0.00 N ATOM 1394 CA ARG A 84 -0.176 3.031 -6.378 1.00 0.00 C ATOM 1395 C ARG A 84 -1.002 2.679 -7.602 1.00 0.00 C ATOM 1396 O ARG A 84 -1.707 3.528 -8.154 1.00 0.00 O ATOM 1397 CB ARG A 84 -0.959 3.978 -5.476 1.00 0.00 C ATOM 1398 CG ARG A 84 -2.178 3.344 -4.838 1.00 0.00 C ATOM 1399 CD ARG A 84 -3.061 4.392 -4.189 1.00 0.00 C ATOM 1400 NE ARG A 84 -3.760 5.205 -5.183 1.00 0.00 N ATOM 1401 CZ ARG A 84 -5.078 5.396 -5.193 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -5.842 4.837 -4.262 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -5.631 6.143 -6.136 1.00 0.00 N ATOM 0 H ARG A 84 0.929 4.455 -7.419 1.00 0.00 H new ATOM 0 HA ARG A 84 0.050 2.129 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.299 4.346 -4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.274 4.843 -6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.747 2.801 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.864 2.615 -4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.789 3.903 -3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.453 5.037 -3.554 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.205 5.653 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.420 4.259 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.851 4.986 -4.273 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.048 6.572 -6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.640 6.290 -6.144 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.892 1.443 -8.044 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.554 1.025 -9.260 1.00 0.00 C ATOM 1419 C LYS A 85 -2.620 -0.011 -8.949 1.00 0.00 C ATOM 1420 O LYS A 85 -2.314 -1.126 -8.524 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.525 0.460 -10.245 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.907 0.615 -11.714 1.00 0.00 C ATOM 1423 CD LYS A 85 -1.415 2.015 -12.040 1.00 0.00 C ATOM 1424 CE LYS A 85 -0.439 3.111 -11.628 1.00 0.00 C ATOM 1425 NZ LYS A 85 0.830 3.064 -12.397 1.00 0.00 N ATOM 0 H LYS A 85 -0.352 0.713 -7.580 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.038 1.888 -9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.431 0.956 -10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.378 -0.598 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.041 0.392 -12.337 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.677 -0.115 -11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.604 2.087 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.368 2.176 -11.537 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.910 4.084 -11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.219 3.016 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.560 2.584 -11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.679 2.542 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.141 4.033 -12.614 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.870 0.359 -9.130 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.952 -0.578 -8.915 1.00 0.00 C ATOM 1441 C CYS A 86 -5.101 -1.460 -10.135 1.00 0.00 C ATOM 1442 O CYS A 86 -5.008 -0.987 -11.271 1.00 0.00 O ATOM 1443 CB CYS A 86 -6.256 0.154 -8.614 1.00 0.00 C ATOM 1444 SG CYS A 86 -6.059 1.508 -7.406 1.00 0.00 S ATOM 0 H CYS A 86 -4.160 1.292 -9.422 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.717 -1.199 -8.050 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.660 0.559 -9.542 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.986 -0.560 -8.234 1.00 0.00 H new ATOM 1449 N ARG A 87 -5.316 -2.737 -9.908 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.411 -3.685 -10.993 1.00 0.00 C ATOM 1451 C ARG A 87 -6.619 -4.568 -10.787 1.00 0.00 C ATOM 1452 O ARG A 87 -6.511 -5.770 -10.543 1.00 0.00 O ATOM 1453 CB ARG A 87 -4.128 -4.512 -11.136 1.00 0.00 C ATOM 1454 CG ARG A 87 -3.672 -5.210 -9.864 1.00 0.00 C ATOM 1455 CD ARG A 87 -2.530 -6.175 -10.148 1.00 0.00 C ATOM 1456 NE ARG A 87 -2.962 -7.283 -11.000 1.00 0.00 N ATOM 1457 CZ ARG A 87 -2.144 -8.180 -11.549 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -0.836 -8.119 -11.333 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -2.639 -9.144 -12.314 1.00 0.00 N ATOM 0 H ARG A 87 -5.428 -3.142 -8.979 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.532 -3.136 -11.927 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.282 -5.263 -11.911 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.328 -3.858 -11.481 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.352 -4.468 -9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.509 -5.752 -9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.713 -5.640 -10.632 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.142 -6.568 -9.208 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.960 -7.375 -11.187 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.450 -7.382 -10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.216 -8.809 -11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.644 -9.197 -12.481 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.015 -9.832 -12.735 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.780 -3.942 -10.864 1.00 0.00 N ATOM 1474 CA LYS A 88 -9.039 -4.639 -10.724 1.00 0.00 C ATOM 1475 C LYS A 88 -9.188 -5.646 -11.859 1.00 0.00 C ATOM 1476 O LYS A 88 -9.936 -6.618 -11.762 1.00 0.00 O ATOM 1477 CB LYS A 88 -10.186 -3.629 -10.747 1.00 0.00 C ATOM 1478 CG LYS A 88 -11.466 -4.146 -10.123 1.00 0.00 C ATOM 1479 CD LYS A 88 -12.655 -3.231 -10.392 1.00 0.00 C ATOM 1480 CE LYS A 88 -13.163 -3.321 -11.829 1.00 0.00 C ATOM 1481 NZ LYS A 88 -12.254 -2.675 -12.814 1.00 0.00 N ATOM 0 H LYS A 88 -7.873 -2.939 -11.025 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.064 -5.174 -9.775 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.874 -2.727 -10.221 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.386 -3.343 -11.780 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.681 -5.141 -10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.327 -4.249 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.465 -3.487 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.370 -2.201 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.292 -4.370 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.146 -2.853 -11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.816 -2.253 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.701 -1.932 -12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.608 -3.388 -13.210 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.460 -5.389 -12.940 1.00 0.00 N ATOM 1496 CA ASP A 89 -8.440 -6.271 -14.093 1.00 0.00 C ATOM 1497 C ASP A 89 -7.006 -6.686 -14.407 1.00 0.00 C ATOM 1498 O ASP A 89 -6.586 -7.794 -14.076 1.00 0.00 O ATOM 1499 CB ASP A 89 -9.062 -5.576 -15.306 1.00 0.00 C ATOM 1500 CG ASP A 89 -10.430 -5.001 -15.007 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -11.439 -5.702 -15.219 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -10.503 -3.835 -14.555 1.00 0.00 O ATOM 0 H ASP A 89 -7.869 -4.563 -13.038 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.026 -7.161 -13.863 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.401 -4.777 -15.641 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -9.143 -6.288 -16.127 1.00 0.00 H new ATOM 1507 N ASP A 90 -6.243 -5.779 -15.010 1.00 0.00 N ATOM 1508 CA ASP A 90 -4.858 -6.061 -15.378 1.00 0.00 C ATOM 1509 C ASP A 90 -3.932 -4.998 -14.784 1.00 0.00 C ATOM 1510 O ASP A 90 -4.400 -3.956 -14.319 1.00 0.00 O ATOM 1511 CB ASP A 90 -4.715 -6.109 -16.903 1.00 0.00 C ATOM 1512 CG ASP A 90 -3.417 -6.750 -17.352 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -3.311 -7.991 -17.284 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -2.502 -6.026 -17.778 1.00 0.00 O ATOM 0 H ASP A 90 -6.560 -4.841 -15.255 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.575 -7.033 -14.975 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.553 -6.663 -17.325 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.771 -5.096 -17.301 1.00 0.00 H new ATOM 1519 N ASP A 91 -2.629 -5.258 -14.792 1.00 0.00 N ATOM 1520 CA ASP A 91 -1.665 -4.357 -14.163 1.00 0.00 C ATOM 1521 C ASP A 91 -0.775 -3.676 -15.201 1.00 0.00 C ATOM 1522 O ASP A 91 -1.056 -3.710 -16.400 1.00 0.00 O ATOM 1523 CB ASP A 91 -0.805 -5.116 -13.146 1.00 0.00 C ATOM 1524 CG ASP A 91 0.096 -6.156 -13.780 1.00 0.00 C ATOM 1525 OD1 ASP A 91 1.331 -6.022 -13.678 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -0.425 -7.122 -14.368 1.00 0.00 O ATOM 0 H ASP A 91 -2.215 -6.083 -15.226 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.229 -3.582 -13.643 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.193 -4.403 -12.594 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.457 -5.604 -12.421 1.00 0.00 H new ATOM 1531 N ASP A 92 0.300 -3.059 -14.730 1.00 0.00 N ATOM 1532 CA ASP A 92 1.159 -2.245 -15.585 1.00 0.00 C ATOM 1533 C ASP A 92 2.488 -2.961 -15.848 1.00 0.00 C ATOM 1534 O ASP A 92 2.660 -4.124 -15.484 1.00 0.00 O ATOM 1535 CB ASP A 92 1.409 -0.885 -14.916 1.00 0.00 C ATOM 1536 CG ASP A 92 1.778 0.209 -15.903 1.00 0.00 C ATOM 1537 OD1 ASP A 92 0.877 0.972 -16.307 1.00 0.00 O ATOM 1538 OD2 ASP A 92 2.964 0.316 -16.272 1.00 0.00 O ATOM 0 H ASP A 92 0.601 -3.106 -13.756 1.00 0.00 H new ATOM 0 HA ASP A 92 0.661 -2.088 -16.542 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.514 -0.586 -14.370 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.209 -0.989 -14.183 1.00 0.00 H new ATOM 1543 N ASP A 93 3.421 -2.258 -16.473 1.00 0.00 N ATOM 1544 CA ASP A 93 4.736 -2.810 -16.780 1.00 0.00 C ATOM 1545 C ASP A 93 5.592 -2.841 -15.515 1.00 0.00 C ATOM 1546 O ASP A 93 5.725 -3.880 -14.870 1.00 0.00 O ATOM 1547 CB ASP A 93 5.411 -1.968 -17.870 1.00 0.00 C ATOM 1548 CG ASP A 93 6.787 -2.473 -18.256 1.00 0.00 C ATOM 1549 OD1 ASP A 93 7.758 -2.203 -17.520 1.00 0.00 O ATOM 1550 OD2 ASP A 93 6.914 -3.109 -19.319 1.00 0.00 O ATOM 0 H ASP A 93 3.291 -1.294 -16.781 1.00 0.00 H new ATOM 0 HA ASP A 93 4.625 -3.830 -17.149 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.775 -1.956 -18.755 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.494 -0.938 -17.523 1.00 0.00 H new ATOM 1555 N ASP A 94 6.150 -1.695 -15.158 1.00 0.00 N ATOM 1556 CA ASP A 94 6.865 -1.548 -13.895 1.00 0.00 C ATOM 1557 C ASP A 94 6.511 -0.218 -13.257 1.00 0.00 C ATOM 1558 O ASP A 94 6.648 -0.040 -12.049 1.00 0.00 O ATOM 1559 CB ASP A 94 8.382 -1.656 -14.076 1.00 0.00 C ATOM 1560 CG ASP A 94 9.130 -1.441 -12.771 1.00 0.00 C ATOM 1561 OD1 ASP A 94 9.959 -0.509 -12.701 1.00 0.00 O ATOM 1562 OD2 ASP A 94 8.873 -2.188 -11.799 1.00 0.00 O ATOM 0 H ASP A 94 6.122 -0.848 -15.726 1.00 0.00 H new ATOM 0 HA ASP A 94 6.556 -2.365 -13.243 1.00 0.00 H new ATOM 0 HB2 ASP A 94 8.630 -2.639 -14.478 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.713 -0.920 -14.808 1.00 0.00 H new ATOM 1567 N GLY A 95 6.060 0.725 -14.075 1.00 0.00 N ATOM 1568 CA GLY A 95 5.498 1.949 -13.547 1.00 0.00 C ATOM 1569 C GLY A 95 4.201 1.664 -12.825 1.00 0.00 C ATOM 1570 O GLY A 95 3.116 1.940 -13.333 1.00 0.00 O ATOM 0 H GLY A 95 6.074 0.662 -15.093 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.207 2.417 -12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.323 2.656 -14.358 1.00 0.00 H new ATOM 1574 N TYR A 96 4.319 1.096 -11.641 1.00 0.00 N ATOM 1575 CA TYR A 96 3.173 0.599 -10.918 1.00 0.00 C ATOM 1576 C TYR A 96 2.941 1.495 -9.722 1.00 0.00 C ATOM 1577 O TYR A 96 3.832 1.551 -8.859 1.00 0.00 O ATOM 1578 CB TYR A 96 3.424 -0.858 -10.496 1.00 0.00 C ATOM 1579 CG TYR A 96 2.193 -1.620 -10.046 1.00 0.00 C ATOM 1580 CD1 TYR A 96 1.708 -1.500 -8.749 1.00 0.00 C ATOM 1581 CD2 TYR A 96 1.516 -2.466 -10.921 1.00 0.00 C ATOM 1582 CE1 TYR A 96 0.586 -2.196 -8.341 1.00 0.00 C ATOM 1583 CE2 TYR A 96 0.397 -3.161 -10.517 1.00 0.00 C ATOM 1584 CZ TYR A 96 -0.061 -3.022 -9.230 1.00 0.00 C ATOM 1585 OH TYR A 96 -1.180 -3.706 -8.830 1.00 0.00 O ATOM 1586 OXT TYR A 96 1.901 2.176 -9.682 1.00 0.00 O ATOM 0 H TYR A 96 5.208 0.968 -11.158 1.00 0.00 H new ATOM 0 HA TYR A 96 2.281 0.611 -11.544 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.875 -1.390 -11.334 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.152 -0.864 -9.685 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.216 -0.853 -8.049 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.874 -2.579 -11.934 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.220 -2.092 -7.330 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.117 -3.812 -11.209 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.924 -3.078 -8.715 1.00 0.00 H new TER 1596 TYR A 96