USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 30:sc= -0.304 USER MOD Set 1.2: A 97 THR OG1 : rot -92:sc= 0.54 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0283 (180deg=-0.218) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.24! C(o=-4.2!,f=-11!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -123:sc= 0.00242 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.014 USER MOD Single : A 53 SER OG : rot -139:sc= 0.576 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 110:sc= -0.43 USER MOD Single : A 58 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.7!) USER MOD Single : A 59 LYS NZ :NH3+ -153:sc= -0.0827 (180deg=-0.472) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 85:sc= 0.429 USER MOD Single : A 72 SER OG : rot 180:sc= -0.117 USER MOD Single : A 74 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.43 K(o=-1.4,f=0.7) USER MOD Single : A 81 THR OG1 : rot 73:sc= 1.31 USER MOD Single : A 83 CYS SG : rot -62:sc= 0.956 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.217 USER MOD Single : A 89 HIS : no HD1:sc= -0.0394 K(o=-0.039,f=-4.6!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.131 K(o=0.13,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 4.199 7.143 -3.906 1.00 52.43 N ATOM 103 CA ARG A 9 5.250 8.038 -4.375 1.00 51.24 C ATOM 104 C ARG A 9 6.139 7.342 -5.401 1.00 61.43 C ATOM 105 O ARG A 9 5.909 6.186 -5.755 1.00 33.01 O ATOM 106 CB ARG A 9 6.097 8.526 -3.198 1.00 54.14 C ATOM 107 CG ARG A 9 6.291 10.033 -3.171 1.00 52.34 C ATOM 108 CD ARG A 9 7.414 10.433 -2.228 1.00 10.55 C ATOM 109 NE ARG A 9 7.815 11.826 -2.413 1.00 35.45 N ATOM 110 CZ ARG A 9 8.541 12.505 -1.532 1.00 22.51 C ATOM 111 NH1 ARG A 9 8.945 11.922 -0.411 1.00 41.23 N ATOM 112 NH2 ARG A 9 8.866 13.769 -1.772 1.00 32.44 N ATOM 0 HA ARG A 9 4.776 8.895 -4.853 1.00 51.24 H new ATOM 0 HB2 ARG A 9 5.625 8.212 -2.267 1.00 54.14 H new ATOM 0 HB3 ARG A 9 7.073 8.043 -3.239 1.00 54.14 H new ATOM 0 HG2 ARG A 9 6.514 10.390 -4.176 1.00 52.34 H new ATOM 0 HG3 ARG A 9 5.364 10.515 -2.860 1.00 52.34 H new ATOM 0 HD2 ARG A 9 7.093 10.282 -1.197 1.00 10.55 H new ATOM 0 HD3 ARG A 9 8.274 9.783 -2.392 1.00 10.55 H new ATOM 0 HE ARG A 9 7.521 12.303 -3.265 1.00 35.45 H new ATOM 0 HH11 ARG A 9 8.698 10.950 -0.224 1.00 41.23 H new ATOM 0 HH12 ARG A 9 9.502 12.446 0.264 1.00 41.23 H new ATOM 0 HH21 ARG A 9 8.558 14.220 -2.634 1.00 32.44 H new ATOM 0 HH22 ARG A 9 9.424 14.290 -1.095 1.00 32.44 H new ATOM 126 N GLY A 10 7.157 8.054 -5.876 1.00 75.01 N ATOM 127 CA GLY A 10 8.064 7.488 -6.857 1.00 3.40 C ATOM 128 C GLY A 10 8.985 6.442 -6.260 1.00 13.41 C ATOM 129 O GLY A 10 8.998 5.292 -6.699 1.00 12.30 O ATOM 0 H GLY A 10 7.369 9.012 -5.599 1.00 75.01 H new ATOM 0 HA2 GLY A 10 7.486 7.040 -7.665 1.00 3.40 H new ATOM 0 HA3 GLY A 10 8.662 8.286 -7.297 1.00 3.40 H new ATOM 133 N LYS A 11 9.759 6.841 -5.256 1.00 53.33 N ATOM 134 CA LYS A 11 10.688 5.931 -4.597 1.00 74.02 C ATOM 135 C LYS A 11 9.937 4.886 -3.778 1.00 14.53 C ATOM 136 O LYS A 11 10.263 3.700 -3.816 1.00 74.23 O ATOM 137 CB LYS A 11 11.645 6.712 -3.694 1.00 33.12 C ATOM 138 CG LYS A 11 13.109 6.383 -3.930 1.00 34.32 C ATOM 139 CD LYS A 11 13.820 7.504 -4.668 1.00 4.14 C ATOM 140 CE LYS A 11 15.299 7.200 -4.851 1.00 5.14 C ATOM 141 NZ LYS A 11 16.155 8.073 -3.999 1.00 54.05 N ATOM 0 H LYS A 11 9.761 7.790 -4.881 1.00 53.33 H new ATOM 0 HA LYS A 11 11.263 5.418 -5.368 1.00 74.02 H new ATOM 0 HB2 LYS A 11 11.491 7.779 -3.853 1.00 33.12 H new ATOM 0 HB3 LYS A 11 11.398 6.506 -2.653 1.00 33.12 H new ATOM 0 HG2 LYS A 11 13.602 6.206 -2.974 1.00 34.32 H new ATOM 0 HG3 LYS A 11 13.187 5.460 -4.505 1.00 34.32 H new ATOM 0 HD2 LYS A 11 13.355 7.652 -5.642 1.00 4.14 H new ATOM 0 HD3 LYS A 11 13.705 8.436 -4.115 1.00 4.14 H new ATOM 0 HE2 LYS A 11 15.488 6.155 -4.605 1.00 5.14 H new ATOM 0 HE3 LYS A 11 15.571 7.335 -5.898 1.00 5.14 H new ATOM 0 HZ1 LYS A 11 17.156 7.835 -4.153 1.00 54.05 H new ATOM 0 HZ2 LYS A 11 15.994 9.069 -4.251 1.00 54.05 H new ATOM 0 HZ3 LYS A 11 15.914 7.925 -2.998 1.00 54.05 H new ATOM 155 N LYS A 12 8.929 5.335 -3.037 1.00 74.12 N ATOM 156 CA LYS A 12 8.129 4.439 -2.210 1.00 54.41 C ATOM 157 C LYS A 12 7.556 3.297 -3.042 1.00 74.34 C ATOM 158 O LYS A 12 7.603 2.136 -2.636 1.00 51.10 O ATOM 159 CB LYS A 12 6.993 5.213 -1.536 1.00 21.31 C ATOM 160 CG LYS A 12 7.423 5.954 -0.282 1.00 32.02 C ATOM 161 CD LYS A 12 6.239 6.602 0.416 1.00 11.11 C ATOM 162 CE LYS A 12 6.652 7.864 1.158 1.00 13.10 C ATOM 163 NZ LYS A 12 5.643 8.950 1.010 1.00 62.32 N ATOM 0 H LYS A 12 8.647 6.314 -2.992 1.00 74.12 H new ATOM 0 HA LYS A 12 8.778 4.016 -1.443 1.00 54.41 H new ATOM 0 HB2 LYS A 12 6.580 5.928 -2.247 1.00 21.31 H new ATOM 0 HB3 LYS A 12 6.192 4.519 -1.281 1.00 21.31 H new ATOM 0 HG2 LYS A 12 7.914 5.261 0.401 1.00 32.02 H new ATOM 0 HG3 LYS A 12 8.156 6.718 -0.543 1.00 32.02 H new ATOM 0 HD2 LYS A 12 5.471 6.845 -0.318 1.00 11.11 H new ATOM 0 HD3 LYS A 12 5.797 5.894 1.117 1.00 11.11 H new ATOM 0 HE2 LYS A 12 6.787 7.636 2.215 1.00 13.10 H new ATOM 0 HE3 LYS A 12 7.615 8.209 0.780 1.00 13.10 H new ATOM 0 HZ1 LYS A 12 5.961 9.793 1.530 1.00 62.32 H new ATOM 0 HZ2 LYS A 12 5.532 9.186 0.003 1.00 62.32 H new ATOM 0 HZ3 LYS A 12 4.731 8.631 1.393 1.00 62.32 H new ATOM 177 N ALA A 13 7.016 3.633 -4.209 1.00 41.44 N ATOM 178 CA ALA A 13 6.438 2.635 -5.100 1.00 35.11 C ATOM 179 C ALA A 13 7.467 1.577 -5.481 1.00 44.04 C ATOM 180 O ALA A 13 7.151 0.390 -5.562 1.00 23.12 O ATOM 181 CB ALA A 13 5.876 3.302 -6.347 1.00 23.10 C ATOM 0 H ALA A 13 6.967 4.590 -4.559 1.00 41.44 H new ATOM 0 HA ALA A 13 5.625 2.139 -4.570 1.00 35.11 H new ATOM 0 HB1 ALA A 13 5.448 2.544 -7.003 1.00 23.10 H new ATOM 0 HB2 ALA A 13 5.102 4.014 -6.061 1.00 23.10 H new ATOM 0 HB3 ALA A 13 6.675 3.826 -6.871 1.00 23.10 H new ATOM 187 N ASP A 14 8.699 2.015 -5.716 1.00 44.10 N ATOM 188 CA ASP A 14 9.776 1.105 -6.089 1.00 43.20 C ATOM 189 C ASP A 14 9.960 0.019 -5.034 1.00 0.12 C ATOM 190 O ASP A 14 10.478 -1.059 -5.323 1.00 51.13 O ATOM 191 CB ASP A 14 11.083 1.877 -6.277 1.00 1.51 C ATOM 192 CG ASP A 14 11.627 1.761 -7.687 1.00 60.41 C ATOM 193 OD1 ASP A 14 10.815 1.712 -8.635 1.00 13.23 O ATOM 194 OD2 ASP A 14 12.865 1.719 -7.843 1.00 61.54 O ATOM 0 H ASP A 14 8.977 2.995 -5.655 1.00 44.10 H new ATOM 0 HA ASP A 14 9.505 0.629 -7.031 1.00 43.20 H new ATOM 0 HB2 ASP A 14 10.918 2.928 -6.040 1.00 1.51 H new ATOM 0 HB3 ASP A 14 11.826 1.504 -5.572 1.00 1.51 H new ATOM 199 N GLU A 15 9.533 0.312 -3.809 1.00 51.14 N ATOM 200 CA GLU A 15 9.653 -0.640 -2.711 1.00 54.51 C ATOM 201 C GLU A 15 8.410 -1.521 -2.617 1.00 2.53 C ATOM 202 O GLU A 15 8.507 -2.730 -2.405 1.00 64.13 O ATOM 203 CB GLU A 15 9.869 0.099 -1.389 1.00 25.34 C ATOM 204 CG GLU A 15 10.816 -0.618 -0.440 1.00 13.43 C ATOM 205 CD GLU A 15 10.180 -0.915 0.904 1.00 35.12 C ATOM 206 OE1 GLU A 15 9.753 0.043 1.583 1.00 24.32 O ATOM 207 OE2 GLU A 15 10.108 -2.105 1.277 1.00 11.51 O ATOM 0 H GLU A 15 9.101 1.200 -3.553 1.00 51.14 H new ATOM 0 HA GLU A 15 10.515 -1.278 -2.908 1.00 54.51 H new ATOM 0 HB2 GLU A 15 10.262 1.094 -1.598 1.00 25.34 H new ATOM 0 HB3 GLU A 15 8.906 0.234 -0.896 1.00 25.34 H new ATOM 0 HG2 GLU A 15 11.144 -1.552 -0.897 1.00 13.43 H new ATOM 0 HG3 GLU A 15 11.706 -0.007 -0.290 1.00 13.43 H new ATOM 214 N LEU A 16 7.243 -0.906 -2.774 1.00 42.22 N ATOM 215 CA LEU A 16 5.980 -1.633 -2.706 1.00 42.24 C ATOM 216 C LEU A 16 5.847 -2.603 -3.876 1.00 53.42 C ATOM 217 O LEU A 16 5.536 -3.778 -3.687 1.00 65.21 O ATOM 218 CB LEU A 16 4.805 -0.654 -2.704 1.00 51.33 C ATOM 219 CG LEU A 16 3.449 -1.233 -2.299 1.00 23.23 C ATOM 220 CD1 LEU A 16 2.879 -2.091 -3.418 1.00 2.13 C ATOM 221 CD2 LEU A 16 3.577 -2.042 -1.016 1.00 62.44 C ATOM 0 H LEU A 16 7.145 0.094 -2.949 1.00 42.22 H new ATOM 0 HA LEU A 16 5.968 -2.207 -1.779 1.00 42.24 H new ATOM 0 HB2 LEU A 16 5.043 0.167 -2.028 1.00 51.33 H new ATOM 0 HB3 LEU A 16 4.712 -0.228 -3.703 1.00 51.33 H new ATOM 0 HG LEU A 16 2.762 -0.407 -2.117 1.00 23.23 H new ATOM 0 HD11 LEU A 16 1.914 -2.494 -3.112 1.00 2.13 H new ATOM 0 HD12 LEU A 16 2.750 -1.483 -4.313 1.00 2.13 H new ATOM 0 HD13 LEU A 16 3.564 -2.912 -3.632 1.00 2.13 H new ATOM 0 HD21 LEU A 16 2.603 -2.447 -0.742 1.00 62.44 H new ATOM 0 HD22 LEU A 16 4.280 -2.861 -1.171 1.00 62.44 H new ATOM 0 HD23 LEU A 16 3.941 -1.399 -0.215 1.00 62.44 H new ATOM 233 N GLU A 17 6.085 -2.101 -5.084 1.00 64.41 N ATOM 234 CA GLU A 17 5.993 -2.925 -6.284 1.00 11.20 C ATOM 235 C GLU A 17 7.074 -4.001 -6.290 1.00 24.32 C ATOM 236 O GLU A 17 6.992 -4.975 -7.039 1.00 1.20 O ATOM 237 CB GLU A 17 6.117 -2.055 -7.537 1.00 33.21 C ATOM 238 CG GLU A 17 5.687 -2.761 -8.812 1.00 51.42 C ATOM 239 CD GLU A 17 6.757 -2.728 -9.886 1.00 41.21 C ATOM 240 OE1 GLU A 17 7.138 -1.617 -10.311 1.00 72.34 O ATOM 241 OE2 GLU A 17 7.214 -3.814 -10.301 1.00 11.33 O ATOM 0 H GLU A 17 6.343 -1.129 -5.257 1.00 64.41 H new ATOM 0 HA GLU A 17 5.019 -3.414 -6.284 1.00 11.20 H new ATOM 0 HB2 GLU A 17 5.513 -1.157 -7.407 1.00 33.21 H new ATOM 0 HB3 GLU A 17 7.152 -1.730 -7.643 1.00 33.21 H new ATOM 0 HG2 GLU A 17 5.439 -3.797 -8.583 1.00 51.42 H new ATOM 0 HG3 GLU A 17 4.780 -2.293 -9.194 1.00 51.42 H new ATOM 248 N ARG A 18 8.088 -3.818 -5.450 1.00 33.34 N ATOM 249 CA ARG A 18 9.187 -4.772 -5.359 1.00 34.03 C ATOM 250 C ARG A 18 8.819 -5.940 -4.449 1.00 33.34 C ATOM 251 O ARG A 18 9.185 -7.086 -4.714 1.00 4.54 O ATOM 252 CB ARG A 18 10.447 -4.081 -4.835 1.00 64.44 C ATOM 253 CG ARG A 18 11.444 -3.725 -5.926 1.00 53.53 C ATOM 254 CD ARG A 18 12.368 -4.891 -6.240 1.00 53.22 C ATOM 255 NE ARG A 18 13.702 -4.698 -5.679 1.00 21.33 N ATOM 256 CZ ARG A 18 14.675 -5.598 -5.771 1.00 31.11 C ATOM 257 NH1 ARG A 18 14.463 -6.746 -6.399 1.00 63.24 N ATOM 258 NH2 ARG A 18 15.863 -5.350 -5.234 1.00 72.01 N ATOM 0 H ARG A 18 8.171 -3.018 -4.823 1.00 33.34 H new ATOM 0 HA ARG A 18 9.382 -5.160 -6.359 1.00 34.03 H new ATOM 0 HB2 ARG A 18 10.160 -3.172 -4.306 1.00 64.44 H new ATOM 0 HB3 ARG A 18 10.933 -4.732 -4.109 1.00 64.44 H new ATOM 0 HG2 ARG A 18 10.908 -3.431 -6.828 1.00 53.53 H new ATOM 0 HG3 ARG A 18 12.036 -2.865 -5.613 1.00 53.53 H new ATOM 0 HD2 ARG A 18 11.938 -5.811 -5.844 1.00 53.22 H new ATOM 0 HD3 ARG A 18 12.443 -5.013 -7.321 1.00 53.22 H new ATOM 0 HE ARG A 18 13.898 -3.825 -5.190 1.00 21.33 H new ATOM 0 HH11 ARG A 18 13.551 -6.940 -6.813 1.00 63.24 H new ATOM 0 HH12 ARG A 18 15.212 -7.435 -6.468 1.00 63.24 H new ATOM 0 HH21 ARG A 18 16.030 -4.468 -4.750 1.00 72.01 H new ATOM 0 HH22 ARG A 18 16.609 -6.042 -5.305 1.00 72.01 H new ATOM 272 N ILE A 19 8.093 -5.642 -3.376 1.00 61.32 N ATOM 273 CA ILE A 19 7.676 -6.668 -2.428 1.00 54.40 C ATOM 274 C ILE A 19 6.778 -7.703 -3.098 1.00 0.25 C ATOM 275 O ILE A 19 5.836 -7.355 -3.810 1.00 1.33 O ATOM 276 CB ILE A 19 6.928 -6.055 -1.229 1.00 53.22 C ATOM 277 CG1 ILE A 19 7.825 -5.055 -0.498 1.00 2.44 C ATOM 278 CG2 ILE A 19 6.461 -7.149 -0.280 1.00 43.15 C ATOM 279 CD1 ILE A 19 7.073 -3.872 0.072 1.00 21.22 C ATOM 0 H ILE A 19 7.782 -4.699 -3.142 1.00 61.32 H new ATOM 0 HA ILE A 19 8.583 -7.155 -2.070 1.00 54.40 H new ATOM 0 HB ILE A 19 6.051 -5.524 -1.600 1.00 53.22 H new ATOM 0 HG12 ILE A 19 8.344 -5.569 0.311 1.00 2.44 H new ATOM 0 HG13 ILE A 19 8.588 -4.692 -1.187 1.00 2.44 H new ATOM 0 HG21 ILE A 19 5.934 -6.700 0.562 1.00 43.15 H new ATOM 0 HG22 ILE A 19 5.790 -7.827 -0.808 1.00 43.15 H new ATOM 0 HG23 ILE A 19 7.324 -7.705 0.087 1.00 43.15 H new ATOM 0 HD11 ILE A 19 7.772 -3.205 0.576 1.00 21.22 H new ATOM 0 HD12 ILE A 19 6.576 -3.334 -0.735 1.00 21.22 H new ATOM 0 HD13 ILE A 19 6.328 -4.224 0.786 1.00 21.22 H new ATOM 291 N ARG A 20 7.076 -8.977 -2.862 1.00 53.55 N ATOM 292 CA ARG A 20 6.295 -10.063 -3.442 1.00 63.02 C ATOM 293 C ARG A 20 5.263 -10.582 -2.446 1.00 74.31 C ATOM 294 O ARG A 20 5.549 -10.726 -1.257 1.00 11.23 O ATOM 295 CB ARG A 20 7.216 -11.204 -3.880 1.00 1.42 C ATOM 296 CG ARG A 20 8.328 -10.763 -4.818 1.00 73.11 C ATOM 297 CD ARG A 20 9.139 -11.949 -5.316 1.00 2.11 C ATOM 298 NE ARG A 20 9.928 -12.559 -4.249 1.00 0.11 N ATOM 299 CZ ARG A 20 10.722 -13.608 -4.430 1.00 31.41 C ATOM 300 NH1 ARG A 20 10.832 -14.161 -5.630 1.00 21.30 N ATOM 301 NH2 ARG A 20 11.408 -14.107 -3.409 1.00 40.33 N ATOM 0 H ARG A 20 7.852 -9.282 -2.274 1.00 53.55 H new ATOM 0 HA ARG A 20 5.769 -9.674 -4.314 1.00 63.02 H new ATOM 0 HB2 ARG A 20 7.659 -11.662 -2.996 1.00 1.42 H new ATOM 0 HB3 ARG A 20 6.620 -11.972 -4.373 1.00 1.42 H new ATOM 0 HG2 ARG A 20 7.900 -10.231 -5.668 1.00 73.11 H new ATOM 0 HG3 ARG A 20 8.985 -10.063 -4.302 1.00 73.11 H new ATOM 0 HD2 ARG A 20 8.467 -12.694 -5.742 1.00 2.11 H new ATOM 0 HD3 ARG A 20 9.803 -11.624 -6.117 1.00 2.11 H new ATOM 0 HE ARG A 20 9.866 -12.157 -3.314 1.00 0.11 H new ATOM 0 HH11 ARG A 20 10.306 -13.781 -6.417 1.00 21.30 H new ATOM 0 HH12 ARG A 20 11.443 -14.967 -5.766 1.00 21.30 H new ATOM 0 HH21 ARG A 20 11.326 -13.685 -2.484 1.00 40.33 H new ATOM 0 HH22 ARG A 20 12.018 -14.913 -3.549 1.00 40.33 H new ATOM 315 N LEU A 21 4.061 -10.862 -2.939 1.00 42.22 N ATOM 316 CA LEU A 21 2.985 -11.365 -2.093 1.00 11.13 C ATOM 317 C LEU A 21 3.380 -12.684 -1.436 1.00 54.03 C ATOM 318 O LEU A 21 2.932 -12.998 -0.333 1.00 44.11 O ATOM 319 CB LEU A 21 1.709 -11.553 -2.915 1.00 34.13 C ATOM 320 CG LEU A 21 0.936 -10.278 -3.256 1.00 31.51 C ATOM 321 CD1 LEU A 21 -0.252 -10.598 -4.150 1.00 51.40 C ATOM 322 CD2 LEU A 21 0.477 -9.577 -1.986 1.00 33.11 C ATOM 0 H LEU A 21 3.808 -10.749 -3.921 1.00 42.22 H new ATOM 0 HA LEU A 21 2.799 -10.631 -1.309 1.00 11.13 H new ATOM 0 HB2 LEU A 21 1.971 -12.055 -3.846 1.00 34.13 H new ATOM 0 HB3 LEU A 21 1.044 -12.222 -2.369 1.00 34.13 H new ATOM 0 HG LEU A 21 1.602 -9.606 -3.797 1.00 31.51 H new ATOM 0 HD11 LEU A 21 -0.790 -9.679 -4.382 1.00 51.40 H new ATOM 0 HD12 LEU A 21 0.101 -11.055 -5.074 1.00 51.40 H new ATOM 0 HD13 LEU A 21 -0.919 -11.289 -3.635 1.00 51.40 H new ATOM 0 HD21 LEU A 21 -0.071 -8.672 -2.248 1.00 33.11 H new ATOM 0 HD22 LEU A 21 -0.172 -10.243 -1.417 1.00 33.11 H new ATOM 0 HD23 LEU A 21 1.345 -9.313 -1.382 1.00 33.11 H new ATOM 334 N ARG A 22 4.222 -13.451 -2.121 1.00 75.10 N ATOM 335 CA ARG A 22 4.678 -14.736 -1.604 1.00 15.30 C ATOM 336 C ARG A 22 6.200 -14.778 -1.518 1.00 44.33 C ATOM 337 O ARG A 22 6.905 -14.006 -2.170 1.00 31.22 O ATOM 338 CB ARG A 22 4.175 -15.875 -2.493 1.00 15.14 C ATOM 339 CG ARG A 22 2.920 -16.551 -1.964 1.00 51.14 C ATOM 340 CD ARG A 22 1.826 -16.597 -3.019 1.00 72.25 C ATOM 341 NE ARG A 22 0.544 -17.017 -2.460 1.00 74.03 N ATOM 342 CZ ARG A 22 -0.534 -17.263 -3.197 1.00 12.22 C ATOM 343 NH1 ARG A 22 -0.484 -17.132 -4.515 1.00 53.23 N ATOM 344 NH2 ARG A 22 -1.665 -17.641 -2.615 1.00 10.04 N ATOM 0 H ARG A 22 4.602 -13.205 -3.035 1.00 75.10 H new ATOM 0 HA ARG A 22 4.271 -14.861 -0.601 1.00 15.30 H new ATOM 0 HB2 ARG A 22 3.974 -15.485 -3.491 1.00 15.14 H new ATOM 0 HB3 ARG A 22 4.964 -16.620 -2.595 1.00 15.14 H new ATOM 0 HG2 ARG A 22 3.159 -17.564 -1.642 1.00 51.14 H new ATOM 0 HG3 ARG A 22 2.559 -16.015 -1.087 1.00 51.14 H new ATOM 0 HD2 ARG A 22 1.718 -15.612 -3.473 1.00 72.25 H new ATOM 0 HD3 ARG A 22 2.117 -17.284 -3.814 1.00 72.25 H new ATOM 0 HE ARG A 22 0.472 -17.128 -1.449 1.00 74.03 H new ATOM 0 HH11 ARG A 22 0.384 -16.842 -4.966 1.00 53.23 H new ATOM 0 HH12 ARG A 22 -1.313 -17.322 -5.078 1.00 53.23 H new ATOM 0 HH21 ARG A 22 -1.707 -17.743 -1.601 1.00 10.04 H new ATOM 0 HH22 ARG A 22 -2.492 -17.830 -3.182 1.00 10.04 H new ATOM 358 N PRO A 23 6.722 -15.699 -0.695 1.00 71.41 N ATOM 359 CA PRO A 23 8.166 -15.864 -0.504 1.00 70.15 C ATOM 360 C PRO A 23 8.852 -16.437 -1.740 1.00 22.12 C ATOM 361 O PRO A 23 10.000 -16.106 -2.034 1.00 71.01 O ATOM 362 CB PRO A 23 8.260 -16.848 0.664 1.00 35.41 C ATOM 363 CG PRO A 23 6.982 -17.613 0.618 1.00 31.24 C ATOM 364 CD PRO A 23 5.942 -16.652 0.113 1.00 71.15 C ATOM 0 HA PRO A 23 8.664 -14.912 -0.318 1.00 70.15 H new ATOM 0 HB2 PRO A 23 9.121 -17.508 0.557 1.00 35.41 H new ATOM 0 HB3 PRO A 23 8.375 -16.326 1.614 1.00 35.41 H new ATOM 0 HG2 PRO A 23 7.068 -18.477 -0.041 1.00 31.24 H new ATOM 0 HG3 PRO A 23 6.718 -17.991 1.606 1.00 31.24 H new ATOM 0 HD2 PRO A 23 5.183 -17.158 -0.484 1.00 71.15 H new ATOM 0 HD3 PRO A 23 5.423 -16.154 0.932 1.00 71.15 H new ATOM 372 N GLY A 24 8.141 -17.299 -2.460 1.00 53.14 N ATOM 373 CA GLY A 24 8.698 -17.904 -3.656 1.00 51.20 C ATOM 374 C GLY A 24 7.762 -17.808 -4.845 1.00 0.35 C ATOM 375 O GLY A 24 7.858 -18.595 -5.785 1.00 23.33 O ATOM 0 H GLY A 24 7.189 -17.589 -2.237 1.00 53.14 H new ATOM 0 HA2 GLY A 24 9.642 -17.416 -3.900 1.00 51.20 H new ATOM 0 HA3 GLY A 24 8.923 -18.952 -3.458 1.00 51.20 H new ATOM 379 N GLY A 25 6.852 -16.840 -4.802 1.00 54.54 N ATOM 380 CA GLY A 25 5.906 -16.662 -5.889 1.00 62.41 C ATOM 381 C GLY A 25 6.367 -15.627 -6.896 1.00 22.13 C ATOM 382 O GLY A 25 7.504 -15.158 -6.839 1.00 11.51 O ATOM 0 H GLY A 25 6.753 -16.176 -4.034 1.00 54.54 H new ATOM 0 HA2 GLY A 25 5.756 -17.615 -6.396 1.00 62.41 H new ATOM 0 HA3 GLY A 25 4.941 -16.362 -5.481 1.00 62.41 H new ATOM 386 N LYS A 26 5.484 -15.271 -7.822 1.00 51.40 N ATOM 387 CA LYS A 26 5.805 -14.285 -8.847 1.00 42.40 C ATOM 388 C LYS A 26 4.843 -13.102 -8.785 1.00 64.31 C ATOM 389 O LYS A 26 4.913 -12.188 -9.607 1.00 74.53 O ATOM 390 CB LYS A 26 5.753 -14.926 -10.235 1.00 73.24 C ATOM 391 CG LYS A 26 6.939 -15.826 -10.535 1.00 31.33 C ATOM 392 CD LYS A 26 6.628 -16.804 -11.656 1.00 3.12 C ATOM 393 CE LYS A 26 7.681 -17.898 -11.749 1.00 10.20 C ATOM 394 NZ LYS A 26 7.918 -18.321 -13.157 1.00 32.11 N ATOM 0 H LYS A 26 4.539 -15.651 -7.884 1.00 51.40 H new ATOM 0 HA LYS A 26 6.815 -13.920 -8.660 1.00 42.40 H new ATOM 0 HB2 LYS A 26 4.835 -15.507 -10.323 1.00 73.24 H new ATOM 0 HB3 LYS A 26 5.705 -14.139 -10.988 1.00 73.24 H new ATOM 0 HG2 LYS A 26 7.799 -15.216 -10.811 1.00 31.33 H new ATOM 0 HG3 LYS A 26 7.215 -16.377 -9.636 1.00 31.33 H new ATOM 0 HD2 LYS A 26 5.649 -17.253 -11.488 1.00 3.12 H new ATOM 0 HD3 LYS A 26 6.574 -16.268 -12.604 1.00 3.12 H new ATOM 0 HE2 LYS A 26 8.615 -17.541 -11.315 1.00 10.20 H new ATOM 0 HE3 LYS A 26 7.364 -18.758 -11.160 1.00 10.20 H new ATOM 0 HZ1 LYS A 26 8.642 -19.068 -13.178 1.00 32.11 H new ATOM 0 HZ2 LYS A 26 7.033 -18.685 -13.564 1.00 32.11 H new ATOM 0 HZ3 LYS A 26 8.245 -17.506 -13.714 1.00 32.11 H new ATOM 408 N LYS A 27 3.947 -13.125 -7.804 1.00 62.24 N ATOM 409 CA LYS A 27 2.973 -12.054 -7.633 1.00 32.34 C ATOM 410 C LYS A 27 3.506 -10.979 -6.691 1.00 31.54 C ATOM 411 O LYS A 27 4.109 -11.285 -5.661 1.00 53.44 O ATOM 412 CB LYS A 27 1.657 -12.616 -7.090 1.00 20.45 C ATOM 413 CG LYS A 27 0.913 -13.492 -8.083 1.00 44.23 C ATOM 414 CD LYS A 27 -0.526 -13.039 -8.257 1.00 55.54 C ATOM 415 CE LYS A 27 -0.655 -12.002 -9.363 1.00 62.45 C ATOM 416 NZ LYS A 27 -1.040 -12.622 -10.662 1.00 2.22 N ATOM 0 H LYS A 27 3.875 -13.874 -7.115 1.00 62.24 H new ATOM 0 HA LYS A 27 2.793 -11.601 -8.608 1.00 32.34 H new ATOM 0 HB2 LYS A 27 1.863 -13.196 -6.190 1.00 20.45 H new ATOM 0 HB3 LYS A 27 1.013 -11.788 -6.795 1.00 20.45 H new ATOM 0 HG2 LYS A 27 1.423 -13.466 -9.046 1.00 44.23 H new ATOM 0 HG3 LYS A 27 0.931 -14.527 -7.741 1.00 44.23 H new ATOM 0 HD2 LYS A 27 -1.154 -13.899 -8.489 1.00 55.54 H new ATOM 0 HD3 LYS A 27 -0.892 -12.620 -7.320 1.00 55.54 H new ATOM 0 HE2 LYS A 27 -1.401 -11.260 -9.080 1.00 62.45 H new ATOM 0 HE3 LYS A 27 0.292 -11.475 -9.479 1.00 62.45 H new ATOM 0 HZ1 LYS A 27 -1.118 -11.883 -11.390 1.00 2.22 H new ATOM 0 HZ2 LYS A 27 -0.316 -13.312 -10.945 1.00 2.22 H new ATOM 0 HZ3 LYS A 27 -1.956 -13.104 -10.559 1.00 2.22 H new ATOM 430 N LYS A 28 3.279 -9.720 -7.048 1.00 72.24 N ATOM 431 CA LYS A 28 3.733 -8.599 -6.234 1.00 65.24 C ATOM 432 C LYS A 28 2.557 -7.733 -5.796 1.00 41.53 C ATOM 433 O LYS A 28 1.467 -7.816 -6.363 1.00 43.11 O ATOM 434 CB LYS A 28 4.742 -7.752 -7.014 1.00 22.33 C ATOM 435 CG LYS A 28 5.769 -8.575 -7.772 1.00 43.24 C ATOM 436 CD LYS A 28 6.870 -7.699 -8.347 1.00 63.41 C ATOM 437 CE LYS A 28 6.314 -6.670 -9.319 1.00 71.20 C ATOM 438 NZ LYS A 28 5.540 -7.308 -10.420 1.00 22.31 N ATOM 0 H LYS A 28 2.783 -9.450 -7.897 1.00 72.24 H new ATOM 0 HA LYS A 28 4.216 -9.001 -5.343 1.00 65.24 H new ATOM 0 HB2 LYS A 28 4.204 -7.119 -7.719 1.00 22.33 H new ATOM 0 HB3 LYS A 28 5.260 -7.089 -6.321 1.00 22.33 H new ATOM 0 HG2 LYS A 28 6.205 -9.319 -7.105 1.00 43.24 H new ATOM 0 HG3 LYS A 28 5.277 -9.119 -8.578 1.00 43.24 H new ATOM 0 HD2 LYS A 28 7.392 -7.190 -7.537 1.00 63.41 H new ATOM 0 HD3 LYS A 28 7.604 -8.323 -8.857 1.00 63.41 H new ATOM 0 HE2 LYS A 28 5.672 -5.972 -8.781 1.00 71.20 H new ATOM 0 HE3 LYS A 28 7.134 -6.089 -9.741 1.00 71.20 H new ATOM 0 HZ1 LYS A 28 5.367 -6.611 -11.172 1.00 22.31 H new ATOM 0 HZ2 LYS A 28 6.081 -8.107 -10.807 1.00 22.31 H new ATOM 0 HZ3 LYS A 28 4.631 -7.652 -10.051 1.00 22.31 H new ATOM 452 N TYR A 29 2.785 -6.901 -4.786 1.00 41.42 N ATOM 453 CA TYR A 29 1.744 -6.019 -4.272 1.00 34.31 C ATOM 454 C TYR A 29 1.355 -4.972 -5.311 1.00 12.45 C ATOM 455 O TYR A 29 2.199 -4.484 -6.062 1.00 53.54 O ATOM 456 CB TYR A 29 2.215 -5.332 -2.990 1.00 4.24 C ATOM 457 CG TYR A 29 1.926 -6.125 -1.735 1.00 62.45 C ATOM 458 CD1 TYR A 29 0.632 -6.234 -1.242 1.00 31.12 C ATOM 459 CD2 TYR A 29 2.947 -6.765 -1.044 1.00 30.53 C ATOM 460 CE1 TYR A 29 0.363 -6.958 -0.096 1.00 12.50 C ATOM 461 CE2 TYR A 29 2.687 -7.492 0.102 1.00 60.20 C ATOM 462 CZ TYR A 29 1.394 -7.585 0.572 1.00 74.10 C ATOM 463 OH TYR A 29 1.131 -8.307 1.714 1.00 52.23 O ATOM 0 H TYR A 29 3.682 -6.819 -4.307 1.00 41.42 H new ATOM 0 HA TYR A 29 0.867 -6.626 -4.049 1.00 34.31 H new ATOM 0 HB2 TYR A 29 3.288 -5.153 -3.057 1.00 4.24 H new ATOM 0 HB3 TYR A 29 1.733 -4.357 -2.912 1.00 4.24 H new ATOM 0 HD1 TYR A 29 -0.178 -5.745 -1.763 1.00 31.12 H new ATOM 0 HD2 TYR A 29 3.961 -6.693 -1.409 1.00 30.53 H new ATOM 0 HE1 TYR A 29 -0.649 -7.032 0.274 1.00 12.50 H new ATOM 0 HE2 TYR A 29 3.492 -7.985 0.627 1.00 60.20 H new ATOM 0 HH TYR A 29 0.226 -8.679 1.665 1.00 52.23 H new ATOM 473 N ARG A 30 0.071 -4.630 -5.345 1.00 72.42 N ATOM 474 CA ARG A 30 -0.432 -3.641 -6.291 1.00 63.30 C ATOM 475 C ARG A 30 -1.604 -2.866 -5.696 1.00 24.11 C ATOM 476 O ARG A 30 -2.157 -3.251 -4.665 1.00 4.35 O ATOM 477 CB ARG A 30 -0.864 -4.321 -7.591 1.00 60.34 C ATOM 478 CG ARG A 30 -0.157 -3.783 -8.824 1.00 61.15 C ATOM 479 CD ARG A 30 -0.579 -4.531 -10.079 1.00 64.15 C ATOM 480 NE ARG A 30 0.469 -5.428 -10.560 1.00 32.43 N ATOM 481 CZ ARG A 30 0.417 -6.060 -11.727 1.00 43.23 C ATOM 482 NH1 ARG A 30 -0.625 -5.893 -12.530 1.00 1.53 N ATOM 483 NH2 ARG A 30 1.410 -6.860 -12.095 1.00 32.25 N ATOM 0 H ARG A 30 -0.640 -5.023 -4.728 1.00 72.42 H new ATOM 0 HA ARG A 30 0.373 -2.939 -6.506 1.00 63.30 H new ATOM 0 HB2 ARG A 30 -0.674 -5.391 -7.512 1.00 60.34 H new ATOM 0 HB3 ARG A 30 -1.940 -4.197 -7.716 1.00 60.34 H new ATOM 0 HG2 ARG A 30 -0.380 -2.722 -8.939 1.00 61.15 H new ATOM 0 HG3 ARG A 30 0.922 -3.869 -8.693 1.00 61.15 H new ATOM 0 HD2 ARG A 30 -1.482 -5.106 -9.872 1.00 64.15 H new ATOM 0 HD3 ARG A 30 -0.830 -3.814 -10.861 1.00 64.15 H new ATOM 0 HE ARG A 30 1.285 -5.577 -9.967 1.00 32.43 H new ATOM 0 HH11 ARG A 30 -1.390 -5.278 -12.252 1.00 1.53 H new ATOM 0 HH12 ARG A 30 -0.662 -6.380 -13.426 1.00 1.53 H new ATOM 0 HH21 ARG A 30 2.214 -6.990 -11.481 1.00 32.25 H new ATOM 0 HH22 ARG A 30 1.369 -7.345 -12.991 1.00 32.25 H new ATOM 497 N LEU A 31 -1.977 -1.773 -6.352 1.00 10.13 N ATOM 498 CA LEU A 31 -3.083 -0.943 -5.888 1.00 11.33 C ATOM 499 C LEU A 31 -4.321 -1.790 -5.610 1.00 41.14 C ATOM 500 O LEU A 31 -5.110 -1.483 -4.716 1.00 45.32 O ATOM 501 CB LEU A 31 -3.409 0.133 -6.925 1.00 54.11 C ATOM 502 CG LEU A 31 -2.736 1.490 -6.719 1.00 42.33 C ATOM 503 CD1 LEU A 31 -1.283 1.438 -7.165 1.00 24.05 C ATOM 504 CD2 LEU A 31 -3.487 2.578 -7.472 1.00 54.42 C ATOM 0 H LEU A 31 -1.530 -1.441 -7.207 1.00 10.13 H new ATOM 0 HA LEU A 31 -2.779 -0.462 -4.958 1.00 11.33 H new ATOM 0 HB2 LEU A 31 -3.129 -0.243 -7.909 1.00 54.11 H new ATOM 0 HB3 LEU A 31 -4.489 0.283 -6.936 1.00 54.11 H new ATOM 0 HG LEU A 31 -2.761 1.728 -5.656 1.00 42.33 H new ATOM 0 HD11 LEU A 31 -0.820 2.413 -7.011 1.00 24.05 H new ATOM 0 HD12 LEU A 31 -0.750 0.687 -6.582 1.00 24.05 H new ATOM 0 HD13 LEU A 31 -1.236 1.177 -8.222 1.00 24.05 H new ATOM 0 HD21 LEU A 31 -2.994 3.537 -7.314 1.00 54.42 H new ATOM 0 HD22 LEU A 31 -3.494 2.345 -8.537 1.00 54.42 H new ATOM 0 HD23 LEU A 31 -4.512 2.633 -7.106 1.00 54.42 H new ATOM 516 N LYS A 32 -4.484 -2.859 -6.382 1.00 34.33 N ATOM 517 CA LYS A 32 -5.624 -3.754 -6.218 1.00 63.31 C ATOM 518 C LYS A 32 -5.751 -4.214 -4.769 1.00 41.12 C ATOM 519 O LYS A 32 -6.849 -4.250 -4.213 1.00 71.31 O ATOM 520 CB LYS A 32 -5.481 -4.968 -7.139 1.00 31.42 C ATOM 521 CG LYS A 32 -6.800 -5.655 -7.448 1.00 70.33 C ATOM 522 CD LYS A 32 -6.760 -7.130 -7.084 1.00 43.01 C ATOM 523 CE LYS A 32 -8.150 -7.668 -6.785 1.00 34.42 C ATOM 524 NZ LYS A 32 -8.114 -9.097 -6.365 1.00 4.55 N ATOM 0 H LYS A 32 -3.841 -3.127 -7.127 1.00 34.33 H new ATOM 0 HA LYS A 32 -6.527 -3.205 -6.487 1.00 63.31 H new ATOM 0 HB2 LYS A 32 -5.018 -4.652 -8.074 1.00 31.42 H new ATOM 0 HB3 LYS A 32 -4.806 -5.688 -6.676 1.00 31.42 H new ATOM 0 HG2 LYS A 32 -7.604 -5.165 -6.898 1.00 70.33 H new ATOM 0 HG3 LYS A 32 -7.028 -5.547 -8.508 1.00 70.33 H new ATOM 0 HD2 LYS A 32 -6.318 -7.696 -7.904 1.00 43.01 H new ATOM 0 HD3 LYS A 32 -6.118 -7.274 -6.215 1.00 43.01 H new ATOM 0 HE2 LYS A 32 -8.609 -7.070 -5.998 1.00 34.42 H new ATOM 0 HE3 LYS A 32 -8.777 -7.566 -7.671 1.00 34.42 H new ATOM 0 HZ1 LYS A 32 -9.081 -9.426 -6.170 1.00 4.55 H new ATOM 0 HZ2 LYS A 32 -7.699 -9.672 -7.126 1.00 4.55 H new ATOM 0 HZ3 LYS A 32 -7.537 -9.192 -5.505 1.00 4.55 H new ATOM 538 N HIS A 33 -4.621 -4.563 -4.162 1.00 41.14 N ATOM 539 CA HIS A 33 -4.606 -5.018 -2.776 1.00 65.43 C ATOM 540 C HIS A 33 -4.922 -3.869 -1.824 1.00 53.42 C ATOM 541 O HIS A 33 -5.532 -4.143 -0.790 1.00 41.30 O ATOM 542 CB HIS A 33 -3.244 -5.621 -2.430 1.00 63.40 C ATOM 543 CG HIS A 33 -2.824 -6.723 -3.355 1.00 33.05 C ATOM 544 ND1 HIS A 33 -1.766 -6.608 -4.231 1.00 22.55 N ATOM 545 CD2 HIS A 33 -3.327 -7.967 -3.536 1.00 12.54 C ATOM 546 CE1 HIS A 33 -1.637 -7.734 -4.911 1.00 4.52 C ATOM 547 NE2 HIS A 33 -2.572 -8.574 -4.507 1.00 60.42 N ATOM 0 H HIS A 33 -3.704 -4.539 -4.608 1.00 41.14 H new ATOM 0 HA HIS A 33 -5.374 -5.783 -2.662 1.00 65.43 H new ATOM 0 HB2 HIS A 33 -2.491 -4.833 -2.451 1.00 63.40 H new ATOM 0 HB3 HIS A 33 -3.274 -6.005 -1.410 1.00 63.40 H new ATOM 0 HD2 HIS A 33 -4.167 -8.401 -3.013 1.00 12.54 H new ATOM 0 HE1 HIS A 33 -0.893 -7.933 -5.668 1.00 4.52 H new ATOM 0 HE2 HIS A 33 -2.710 -9.521 -4.860 1.00 60.42 H new ATOM 555 N ILE A 34 -4.539 -2.634 -2.133 1.00 72.43 N ATOM 556 CA ILE A 34 -4.820 -1.505 -1.255 1.00 74.44 C ATOM 557 C ILE A 34 -6.313 -1.196 -1.219 1.00 51.43 C ATOM 558 O ILE A 34 -6.873 -0.907 -0.161 1.00 41.15 O ATOM 559 CB ILE A 34 -4.056 -0.244 -1.699 1.00 14.34 C ATOM 560 CG1 ILE A 34 -2.572 -0.561 -1.892 1.00 31.34 C ATOM 561 CG2 ILE A 34 -4.237 0.870 -0.678 1.00 41.45 C ATOM 562 CD1 ILE A 34 -1.750 0.633 -2.322 1.00 4.13 C ATOM 0 H ILE A 34 -4.033 -2.390 -2.985 1.00 72.43 H new ATOM 0 HA ILE A 34 -4.486 -1.789 -0.257 1.00 74.44 H new ATOM 0 HB ILE A 34 -4.462 0.093 -2.653 1.00 14.34 H new ATOM 0 HG12 ILE A 34 -2.168 -0.953 -0.958 1.00 31.34 H new ATOM 0 HG13 ILE A 34 -2.471 -1.349 -2.638 1.00 31.34 H new ATOM 0 HG21 ILE A 34 -3.691 1.755 -1.005 1.00 41.45 H new ATOM 0 HG22 ILE A 34 -5.296 1.110 -0.585 1.00 41.45 H new ATOM 0 HG23 ILE A 34 -3.853 0.544 0.289 1.00 41.45 H new ATOM 0 HD11 ILE A 34 -0.708 0.334 -2.439 1.00 4.13 H new ATOM 0 HD12 ILE A 34 -2.128 1.012 -3.271 1.00 4.13 H new ATOM 0 HD13 ILE A 34 -1.820 1.415 -1.565 1.00 4.13 H new ATOM 574 N VAL A 35 -6.954 -1.259 -2.382 1.00 65.34 N ATOM 575 CA VAL A 35 -8.383 -0.989 -2.484 1.00 44.41 C ATOM 576 C VAL A 35 -9.185 -1.929 -1.592 1.00 61.42 C ATOM 577 O VAL A 35 -9.938 -1.487 -0.725 1.00 2.23 O ATOM 578 CB VAL A 35 -8.878 -1.128 -3.936 1.00 13.13 C ATOM 579 CG1 VAL A 35 -10.373 -0.858 -4.018 1.00 1.10 C ATOM 580 CG2 VAL A 35 -8.108 -0.191 -4.854 1.00 24.14 C ATOM 0 H VAL A 35 -6.506 -1.495 -3.267 1.00 65.34 H new ATOM 0 HA VAL A 35 -8.536 0.038 -2.153 1.00 44.41 H new ATOM 0 HB VAL A 35 -8.698 -2.151 -4.266 1.00 13.13 H new ATOM 0 HG11 VAL A 35 -10.705 -0.961 -5.051 1.00 1.10 H new ATOM 0 HG12 VAL A 35 -10.907 -1.573 -3.392 1.00 1.10 H new ATOM 0 HG13 VAL A 35 -10.580 0.154 -3.669 1.00 1.10 H new ATOM 0 HG21 VAL A 35 -8.471 -0.303 -5.876 1.00 24.14 H new ATOM 0 HG22 VAL A 35 -8.254 0.839 -4.528 1.00 24.14 H new ATOM 0 HG23 VAL A 35 -7.047 -0.437 -4.817 1.00 24.14 H new ATOM 590 N TRP A 36 -9.018 -3.229 -1.811 1.00 52.52 N ATOM 591 CA TRP A 36 -9.727 -4.233 -1.026 1.00 51.13 C ATOM 592 C TRP A 36 -9.488 -4.027 0.465 1.00 2.33 C ATOM 593 O TRP A 36 -10.337 -4.359 1.291 1.00 14.22 O ATOM 594 CB TRP A 36 -9.283 -5.638 -1.437 1.00 51.32 C ATOM 595 CG TRP A 36 -9.916 -6.723 -0.620 1.00 60.44 C ATOM 596 CD1 TRP A 36 -11.113 -7.337 -0.859 1.00 2.42 C ATOM 597 CD2 TRP A 36 -9.386 -7.322 0.567 1.00 64.20 C ATOM 598 NE1 TRP A 36 -11.358 -8.281 0.109 1.00 53.40 N ATOM 599 CE2 TRP A 36 -10.314 -8.292 0.995 1.00 45.03 C ATOM 600 CE3 TRP A 36 -8.216 -7.135 1.309 1.00 35.43 C ATOM 601 CZ2 TRP A 36 -10.107 -9.069 2.131 1.00 20.23 C ATOM 602 CZ3 TRP A 36 -8.013 -7.907 2.437 1.00 31.33 C ATOM 603 CH2 TRP A 36 -8.954 -8.865 2.839 1.00 2.01 C ATOM 0 H TRP A 36 -8.398 -3.612 -2.525 1.00 52.52 H new ATOM 0 HA TRP A 36 -10.794 -4.125 -1.222 1.00 51.13 H new ATOM 0 HB2 TRP A 36 -9.526 -5.795 -2.488 1.00 51.32 H new ATOM 0 HB3 TRP A 36 -8.199 -5.710 -1.346 1.00 51.32 H new ATOM 0 HD1 TRP A 36 -11.770 -7.113 -1.687 1.00 2.42 H new ATOM 0 HE1 TRP A 36 -12.184 -8.877 0.159 1.00 53.40 H new ATOM 0 HE3 TRP A 36 -7.484 -6.401 1.006 1.00 35.43 H new ATOM 0 HZ2 TRP A 36 -10.831 -9.807 2.443 1.00 20.23 H new ATOM 0 HZ3 TRP A 36 -7.114 -7.770 3.019 1.00 31.33 H new ATOM 0 HH2 TRP A 36 -8.765 -9.453 3.725 1.00 2.01 H new ATOM 614 N ALA A 37 -8.326 -3.476 0.803 1.00 33.44 N ATOM 615 CA ALA A 37 -7.977 -3.224 2.196 1.00 71.11 C ATOM 616 C ALA A 37 -8.681 -1.978 2.721 1.00 11.42 C ATOM 617 O ALA A 37 -9.231 -1.981 3.822 1.00 21.31 O ATOM 618 CB ALA A 37 -6.469 -3.083 2.345 1.00 74.42 C ATOM 0 H ALA A 37 -7.611 -3.196 0.132 1.00 33.44 H new ATOM 0 HA ALA A 37 -8.312 -4.075 2.789 1.00 71.11 H new ATOM 0 HB1 ALA A 37 -6.223 -2.895 3.390 1.00 74.42 H new ATOM 0 HB2 ALA A 37 -5.983 -4.002 2.017 1.00 74.42 H new ATOM 0 HB3 ALA A 37 -6.119 -2.250 1.734 1.00 74.42 H new ATOM 624 N ALA A 38 -8.659 -0.912 1.927 1.00 74.32 N ATOM 625 CA ALA A 38 -9.297 0.341 2.312 1.00 61.33 C ATOM 626 C ALA A 38 -10.802 0.162 2.482 1.00 64.42 C ATOM 627 O ALA A 38 -11.376 0.578 3.487 1.00 21.40 O ATOM 628 CB ALA A 38 -9.005 1.420 1.280 1.00 52.03 C ATOM 0 H ALA A 38 -8.206 -0.891 1.013 1.00 74.32 H new ATOM 0 HA ALA A 38 -8.884 0.650 3.272 1.00 61.33 H new ATOM 0 HB1 ALA A 38 -9.487 2.350 1.580 1.00 52.03 H new ATOM 0 HB2 ALA A 38 -7.928 1.575 1.211 1.00 52.03 H new ATOM 0 HB3 ALA A 38 -9.390 1.108 0.309 1.00 52.03 H new ATOM 634 N ASN A 39 -11.435 -0.460 1.492 1.00 44.21 N ATOM 635 CA ASN A 39 -12.874 -0.693 1.532 1.00 3.30 C ATOM 636 C ASN A 39 -13.278 -1.379 2.834 1.00 43.54 C ATOM 637 O ASN A 39 -14.352 -1.121 3.377 1.00 73.23 O ATOM 638 CB ASN A 39 -13.307 -1.545 0.338 1.00 41.05 C ATOM 639 CG ASN A 39 -14.763 -1.961 0.422 1.00 40.54 C ATOM 640 OD1 ASN A 39 -15.659 -1.117 0.472 1.00 23.53 O ATOM 641 ND2 ASN A 39 -15.006 -3.266 0.437 1.00 65.10 N ATOM 0 H ASN A 39 -10.974 -0.811 0.653 1.00 44.21 H new ATOM 0 HA ASN A 39 -13.375 0.274 1.481 1.00 3.30 H new ATOM 0 HB2 ASN A 39 -13.145 -0.985 -0.583 1.00 41.05 H new ATOM 0 HB3 ASN A 39 -12.680 -2.435 0.284 1.00 41.05 H new ATOM 0 HD21 ASN A 39 -15.966 -3.605 0.492 1.00 65.10 H new ATOM 0 HD22 ASN A 39 -14.232 -3.929 0.394 1.00 65.10 H new ATOM 648 N LYS A 40 -12.409 -2.253 3.330 1.00 43.24 N ATOM 649 CA LYS A 40 -12.672 -2.975 4.568 1.00 32.44 C ATOM 650 C LYS A 40 -12.672 -2.026 5.762 1.00 34.24 C ATOM 651 O LYS A 40 -13.543 -2.104 6.630 1.00 55.41 O ATOM 652 CB LYS A 40 -11.625 -4.072 4.776 1.00 74.35 C ATOM 653 CG LYS A 40 -12.218 -5.468 4.872 1.00 44.33 C ATOM 654 CD LYS A 40 -12.626 -5.995 3.507 1.00 73.34 C ATOM 655 CE LYS A 40 -13.843 -6.903 3.601 1.00 12.04 C ATOM 656 NZ LYS A 40 -13.914 -7.857 2.460 1.00 41.31 N ATOM 0 H LYS A 40 -11.516 -2.478 2.893 1.00 43.24 H new ATOM 0 HA LYS A 40 -13.658 -3.432 4.489 1.00 32.44 H new ATOM 0 HB2 LYS A 40 -10.913 -4.045 3.951 1.00 74.35 H new ATOM 0 HB3 LYS A 40 -11.065 -3.861 5.687 1.00 74.35 H new ATOM 0 HG2 LYS A 40 -11.490 -6.144 5.321 1.00 44.33 H new ATOM 0 HG3 LYS A 40 -13.086 -5.451 5.531 1.00 44.33 H new ATOM 0 HD2 LYS A 40 -12.845 -5.158 2.843 1.00 73.34 H new ATOM 0 HD3 LYS A 40 -11.795 -6.544 3.064 1.00 73.34 H new ATOM 0 HE2 LYS A 40 -13.809 -7.459 4.538 1.00 12.04 H new ATOM 0 HE3 LYS A 40 -14.748 -6.296 3.623 1.00 12.04 H new ATOM 0 HZ1 LYS A 40 -14.821 -7.739 1.965 1.00 41.31 H new ATOM 0 HZ2 LYS A 40 -13.133 -7.668 1.800 1.00 41.31 H new ATOM 0 HZ3 LYS A 40 -13.838 -8.831 2.817 1.00 41.31 H new ATOM 670 N LEU A 41 -11.692 -1.131 5.800 1.00 11.54 N ATOM 671 CA LEU A 41 -11.580 -0.165 6.888 1.00 51.52 C ATOM 672 C LEU A 41 -12.822 0.718 6.963 1.00 71.35 C ATOM 673 O LEU A 41 -13.245 1.121 8.046 1.00 32.32 O ATOM 674 CB LEU A 41 -10.335 0.703 6.699 1.00 3.40 C ATOM 675 CG LEU A 41 -9.009 -0.046 6.565 1.00 45.25 C ATOM 676 CD1 LEU A 41 -7.891 0.912 6.183 1.00 43.02 C ATOM 677 CD2 LEU A 41 -8.673 -0.772 7.859 1.00 5.20 C ATOM 0 H LEU A 41 -10.963 -1.053 5.091 1.00 11.54 H new ATOM 0 HA LEU A 41 -11.492 -0.718 7.824 1.00 51.52 H new ATOM 0 HB2 LEU A 41 -10.475 1.315 5.808 1.00 3.40 H new ATOM 0 HB3 LEU A 41 -10.260 1.385 7.546 1.00 3.40 H new ATOM 0 HG LEU A 41 -9.111 -0.787 5.772 1.00 45.25 H new ATOM 0 HD11 LEU A 41 -6.955 0.361 6.092 1.00 43.02 H new ATOM 0 HD12 LEU A 41 -8.127 1.385 5.230 1.00 43.02 H new ATOM 0 HD13 LEU A 41 -7.789 1.677 6.953 1.00 43.02 H new ATOM 0 HD21 LEU A 41 -7.726 -1.300 7.745 1.00 5.20 H new ATOM 0 HD22 LEU A 41 -8.590 -0.049 8.671 1.00 5.20 H new ATOM 0 HD23 LEU A 41 -9.462 -1.488 8.090 1.00 5.20 H new ATOM 689 N ASP A 42 -13.403 1.012 5.805 1.00 42.04 N ATOM 690 CA ASP A 42 -14.599 1.844 5.739 1.00 62.24 C ATOM 691 C ASP A 42 -15.783 1.146 6.401 1.00 50.25 C ATOM 692 O ASP A 42 -16.424 1.702 7.293 1.00 24.20 O ATOM 693 CB ASP A 42 -14.935 2.177 4.284 1.00 21.51 C ATOM 694 CG ASP A 42 -14.950 3.669 4.020 1.00 3.32 C ATOM 695 OD1 ASP A 42 -15.710 4.385 4.705 1.00 23.02 O ATOM 696 OD2 ASP A 42 -14.202 4.122 3.128 1.00 22.10 O ATOM 0 H ASP A 42 -13.065 0.687 4.899 1.00 42.04 H new ATOM 0 HA ASP A 42 -14.398 2.770 6.278 1.00 62.24 H new ATOM 0 HB2 ASP A 42 -14.205 1.702 3.628 1.00 21.51 H new ATOM 0 HB3 ASP A 42 -15.909 1.757 4.034 1.00 21.51 H new ATOM 701 N ARG A 43 -16.069 -0.073 5.956 1.00 24.43 N ATOM 702 CA ARG A 43 -17.177 -0.846 6.504 1.00 52.20 C ATOM 703 C ARG A 43 -16.923 -1.199 7.967 1.00 74.35 C ATOM 704 O ARG A 43 -17.807 -1.060 8.812 1.00 12.53 O ATOM 705 CB ARG A 43 -17.389 -2.123 5.689 1.00 44.12 C ATOM 706 CG ARG A 43 -18.751 -2.762 5.901 1.00 31.41 C ATOM 707 CD ARG A 43 -19.858 -1.942 5.257 1.00 1.14 C ATOM 708 NE ARG A 43 -21.154 -2.610 5.340 1.00 23.34 N ATOM 709 CZ ARG A 43 -22.313 -1.994 5.137 1.00 62.34 C ATOM 710 NH1 ARG A 43 -22.337 -0.702 4.839 1.00 34.50 N ATOM 711 NH2 ARG A 43 -23.451 -2.671 5.230 1.00 45.21 N ATOM 0 H ARG A 43 -15.549 -0.547 5.217 1.00 24.43 H new ATOM 0 HA ARG A 43 -18.077 -0.234 6.447 1.00 52.20 H new ATOM 0 HB2 ARG A 43 -17.266 -1.893 4.631 1.00 44.12 H new ATOM 0 HB3 ARG A 43 -16.614 -2.844 5.951 1.00 44.12 H new ATOM 0 HG2 ARG A 43 -18.751 -3.768 5.482 1.00 31.41 H new ATOM 0 HG3 ARG A 43 -18.945 -2.862 6.969 1.00 31.41 H new ATOM 0 HD2 ARG A 43 -19.920 -0.970 5.746 1.00 1.14 H new ATOM 0 HD3 ARG A 43 -19.611 -1.758 4.211 1.00 1.14 H new ATOM 0 HE ARG A 43 -21.170 -3.604 5.566 1.00 23.34 H new ATOM 0 HH11 ARG A 43 -21.464 -0.179 4.765 1.00 34.50 H new ATOM 0 HH12 ARG A 43 -23.228 -0.231 4.683 1.00 34.50 H new ATOM 0 HH21 ARG A 43 -23.436 -3.665 5.458 1.00 45.21 H new ATOM 0 HH22 ARG A 43 -24.341 -2.197 5.074 1.00 45.21 H new ATOM 725 N PHE A 44 -15.711 -1.658 8.257 1.00 24.21 N ATOM 726 CA PHE A 44 -15.341 -2.033 9.617 1.00 63.32 C ATOM 727 C PHE A 44 -15.662 -0.909 10.598 1.00 72.54 C ATOM 728 O PHE A 44 -16.299 -1.132 11.627 1.00 41.15 O ATOM 729 CB PHE A 44 -13.851 -2.376 9.687 1.00 50.33 C ATOM 730 CG PHE A 44 -13.564 -3.841 9.523 1.00 74.01 C ATOM 731 CD1 PHE A 44 -14.142 -4.772 10.371 1.00 60.32 C ATOM 732 CD2 PHE A 44 -12.718 -4.287 8.521 1.00 70.12 C ATOM 733 CE1 PHE A 44 -13.879 -6.121 10.223 1.00 72.13 C ATOM 734 CE2 PHE A 44 -12.452 -5.635 8.367 1.00 1.25 C ATOM 735 CZ PHE A 44 -13.034 -6.553 9.219 1.00 12.01 C ATOM 0 H PHE A 44 -14.968 -1.779 7.569 1.00 24.21 H new ATOM 0 HA PHE A 44 -15.923 -2.912 9.896 1.00 63.32 H new ATOM 0 HB2 PHE A 44 -13.322 -1.821 8.912 1.00 50.33 H new ATOM 0 HB3 PHE A 44 -13.454 -2.041 10.645 1.00 50.33 H new ATOM 0 HD1 PHE A 44 -14.805 -4.440 11.156 1.00 60.32 H new ATOM 0 HD2 PHE A 44 -12.261 -3.573 7.852 1.00 70.12 H new ATOM 0 HE1 PHE A 44 -14.334 -6.837 10.892 1.00 72.13 H new ATOM 0 HE2 PHE A 44 -11.790 -5.970 7.582 1.00 1.25 H new ATOM 0 HZ PHE A 44 -12.829 -7.607 9.101 1.00 12.01 H new ATOM 745 N GLY A 45 -15.216 0.300 10.270 1.00 22.54 N ATOM 746 CA GLY A 45 -15.465 1.440 11.132 1.00 4.40 C ATOM 747 C GLY A 45 -14.244 2.326 11.288 1.00 54.21 C ATOM 748 O GLY A 45 -14.310 3.380 11.922 1.00 23.15 O ATOM 0 H GLY A 45 -14.687 0.510 9.423 1.00 22.54 H new ATOM 0 HA2 GLY A 45 -16.287 2.028 10.724 1.00 4.40 H new ATOM 0 HA3 GLY A 45 -15.782 1.087 12.113 1.00 4.40 H new ATOM 752 N LEU A 46 -13.127 1.899 10.710 1.00 74.33 N ATOM 753 CA LEU A 46 -11.885 2.660 10.789 1.00 74.14 C ATOM 754 C LEU A 46 -11.752 3.609 9.602 1.00 62.42 C ATOM 755 O LEU A 46 -12.533 3.546 8.653 1.00 33.23 O ATOM 756 CB LEU A 46 -10.686 1.712 10.836 1.00 4.20 C ATOM 757 CG LEU A 46 -10.474 0.962 12.152 1.00 53.04 C ATOM 758 CD1 LEU A 46 -10.685 -0.531 11.955 1.00 72.15 C ATOM 759 CD2 LEU A 46 -9.084 1.238 12.705 1.00 20.34 C ATOM 0 H LEU A 46 -13.056 1.030 10.181 1.00 74.33 H new ATOM 0 HA LEU A 46 -11.908 3.253 11.703 1.00 74.14 H new ATOM 0 HB2 LEU A 46 -10.796 0.979 10.037 1.00 4.20 H new ATOM 0 HB3 LEU A 46 -9.785 2.286 10.619 1.00 4.20 H new ATOM 0 HG LEU A 46 -11.208 1.319 12.874 1.00 53.04 H new ATOM 0 HD11 LEU A 46 -10.530 -1.048 12.902 1.00 72.15 H new ATOM 0 HD12 LEU A 46 -11.701 -0.712 11.605 1.00 72.15 H new ATOM 0 HD13 LEU A 46 -9.975 -0.905 11.217 1.00 72.15 H new ATOM 0 HD21 LEU A 46 -8.951 0.696 13.641 1.00 20.34 H new ATOM 0 HD22 LEU A 46 -8.334 0.909 11.986 1.00 20.34 H new ATOM 0 HD23 LEU A 46 -8.970 2.307 12.885 1.00 20.34 H new ATOM 771 N ALA A 47 -10.755 4.486 9.661 1.00 30.41 N ATOM 772 CA ALA A 47 -10.516 5.444 8.590 1.00 53.55 C ATOM 773 C ALA A 47 -9.619 4.849 7.510 1.00 4.21 C ATOM 774 O ALA A 47 -8.983 3.817 7.719 1.00 31.53 O ATOM 775 CB ALA A 47 -9.899 6.718 9.149 1.00 74.04 C ATOM 0 H ALA A 47 -10.100 4.552 10.440 1.00 30.41 H new ATOM 0 HA ALA A 47 -11.476 5.688 8.134 1.00 53.55 H new ATOM 0 HB1 ALA A 47 -9.726 7.425 8.338 1.00 74.04 H new ATOM 0 HB2 ALA A 47 -10.577 7.161 9.878 1.00 74.04 H new ATOM 0 HB3 ALA A 47 -8.951 6.481 9.633 1.00 74.04 H new ATOM 781 N GLU A 48 -9.572 5.507 6.356 1.00 54.30 N ATOM 782 CA GLU A 48 -8.753 5.041 5.244 1.00 71.34 C ATOM 783 C GLU A 48 -7.430 5.800 5.186 1.00 35.32 C ATOM 784 O GLU A 48 -6.428 5.285 4.691 1.00 21.34 O ATOM 785 CB GLU A 48 -9.506 5.206 3.922 1.00 32.20 C ATOM 786 CG GLU A 48 -10.032 6.613 3.693 1.00 73.31 C ATOM 787 CD GLU A 48 -10.381 6.876 2.241 1.00 75.31 C ATOM 788 OE1 GLU A 48 -11.129 6.066 1.654 1.00 62.13 O ATOM 789 OE2 GLU A 48 -9.907 7.892 1.692 1.00 10.41 O ATOM 0 H GLU A 48 -10.091 6.364 6.167 1.00 54.30 H new ATOM 0 HA GLU A 48 -8.539 3.984 5.403 1.00 71.34 H new ATOM 0 HB2 GLU A 48 -8.843 4.937 3.100 1.00 32.20 H new ATOM 0 HB3 GLU A 48 -10.342 4.507 3.900 1.00 32.20 H new ATOM 0 HG2 GLU A 48 -10.917 6.771 4.310 1.00 73.31 H new ATOM 0 HG3 GLU A 48 -9.283 7.335 4.019 1.00 73.31 H new ATOM 796 N SER A 49 -7.437 7.027 5.696 1.00 40.54 N ATOM 797 CA SER A 49 -6.240 7.860 5.699 1.00 41.13 C ATOM 798 C SER A 49 -5.161 7.257 6.594 1.00 54.40 C ATOM 799 O SER A 49 -3.995 7.648 6.530 1.00 10.32 O ATOM 800 CB SER A 49 -6.579 9.275 6.171 1.00 45.31 C ATOM 801 OG SER A 49 -7.871 9.662 5.737 1.00 41.10 O ATOM 0 H SER A 49 -8.258 7.466 6.112 1.00 40.54 H new ATOM 0 HA SER A 49 -5.857 7.907 4.680 1.00 41.13 H new ATOM 0 HB2 SER A 49 -6.529 9.321 7.259 1.00 45.31 H new ATOM 0 HB3 SER A 49 -5.838 9.977 5.788 1.00 45.31 H new ATOM 0 HG SER A 49 -8.064 10.569 6.053 1.00 41.10 H new ATOM 807 N LEU A 50 -5.559 6.303 7.428 1.00 13.43 N ATOM 808 CA LEU A 50 -4.628 5.645 8.338 1.00 40.11 C ATOM 809 C LEU A 50 -3.697 4.705 7.578 1.00 14.21 C ATOM 810 O LEU A 50 -2.669 4.276 8.102 1.00 65.42 O ATOM 811 CB LEU A 50 -5.394 4.867 9.409 1.00 74.33 C ATOM 812 CG LEU A 50 -6.490 5.639 10.145 1.00 71.34 C ATOM 813 CD1 LEU A 50 -7.305 4.702 11.023 1.00 51.21 C ATOM 814 CD2 LEU A 50 -5.885 6.761 10.976 1.00 73.13 C ATOM 0 H LEU A 50 -6.520 5.968 7.493 1.00 13.43 H new ATOM 0 HA LEU A 50 -4.024 6.414 8.819 1.00 40.11 H new ATOM 0 HB2 LEU A 50 -5.845 3.992 8.941 1.00 74.33 H new ATOM 0 HB3 LEU A 50 -4.678 4.501 10.145 1.00 74.33 H new ATOM 0 HG LEU A 50 -7.157 6.081 9.405 1.00 71.34 H new ATOM 0 HD11 LEU A 50 -8.080 5.269 11.539 1.00 51.21 H new ATOM 0 HD12 LEU A 50 -7.769 3.934 10.404 1.00 51.21 H new ATOM 0 HD13 LEU A 50 -6.651 4.230 11.757 1.00 51.21 H new ATOM 0 HD21 LEU A 50 -6.679 7.300 11.493 1.00 73.13 H new ATOM 0 HD22 LEU A 50 -5.196 6.340 11.708 1.00 73.13 H new ATOM 0 HD23 LEU A 50 -5.346 7.448 10.323 1.00 73.13 H new ATOM 826 N LEU A 51 -4.064 4.391 6.341 1.00 41.35 N ATOM 827 CA LEU A 51 -3.261 3.504 5.507 1.00 64.24 C ATOM 828 C LEU A 51 -2.045 4.235 4.947 1.00 5.11 C ATOM 829 O LEU A 51 -1.167 3.624 4.338 1.00 33.22 O ATOM 830 CB LEU A 51 -4.106 2.945 4.361 1.00 41.15 C ATOM 831 CG LEU A 51 -4.676 1.542 4.569 1.00 23.41 C ATOM 832 CD1 LEU A 51 -5.669 1.200 3.470 1.00 54.14 C ATOM 833 CD2 LEU A 51 -3.556 0.513 4.617 1.00 65.24 C ATOM 0 H LEU A 51 -4.912 4.737 5.893 1.00 41.35 H new ATOM 0 HA LEU A 51 -2.912 2.680 6.129 1.00 64.24 H new ATOM 0 HB2 LEU A 51 -4.935 3.629 4.181 1.00 41.15 H new ATOM 0 HB3 LEU A 51 -3.497 2.937 3.457 1.00 41.15 H new ATOM 0 HG LEU A 51 -5.202 1.523 5.524 1.00 23.41 H new ATOM 0 HD11 LEU A 51 -6.064 0.198 3.635 1.00 54.14 H new ATOM 0 HD12 LEU A 51 -6.488 1.919 3.483 1.00 54.14 H new ATOM 0 HD13 LEU A 51 -5.168 1.238 2.503 1.00 54.14 H new ATOM 0 HD21 LEU A 51 -3.980 -0.480 4.766 1.00 65.24 H new ATOM 0 HD22 LEU A 51 -3.002 0.534 3.679 1.00 65.24 H new ATOM 0 HD23 LEU A 51 -2.882 0.747 5.441 1.00 65.24 H new ATOM 845 N GLU A 52 -1.999 5.547 5.160 1.00 31.52 N ATOM 846 CA GLU A 52 -0.889 6.360 4.678 1.00 53.10 C ATOM 847 C GLU A 52 -0.183 7.058 5.836 1.00 2.35 C ATOM 848 O GLU A 52 0.409 8.124 5.665 1.00 63.30 O ATOM 849 CB GLU A 52 -1.389 7.398 3.671 1.00 42.21 C ATOM 850 CG GLU A 52 -2.357 8.406 4.266 1.00 55.43 C ATOM 851 CD GLU A 52 -2.488 9.659 3.421 1.00 61.22 C ATOM 852 OE1 GLU A 52 -2.996 9.558 2.285 1.00 40.53 O ATOM 853 OE2 GLU A 52 -2.082 10.740 3.897 1.00 64.42 O ATOM 0 H GLU A 52 -2.717 6.069 5.663 1.00 31.52 H new ATOM 0 HA GLU A 52 -0.175 5.700 4.185 1.00 53.10 H new ATOM 0 HB2 GLU A 52 -0.533 7.930 3.255 1.00 42.21 H new ATOM 0 HB3 GLU A 52 -1.877 6.883 2.843 1.00 42.21 H new ATOM 0 HG2 GLU A 52 -3.337 7.942 4.375 1.00 55.43 H new ATOM 0 HG3 GLU A 52 -2.021 8.680 5.266 1.00 55.43 H new ATOM 860 N SER A 53 -0.251 6.450 7.016 1.00 23.23 N ATOM 861 CA SER A 53 0.378 7.014 8.205 1.00 41.23 C ATOM 862 C SER A 53 0.766 5.914 9.189 1.00 53.35 C ATOM 863 O SER A 53 -0.061 5.086 9.569 1.00 33.53 O ATOM 864 CB SER A 53 -0.565 8.011 8.882 1.00 63.21 C ATOM 865 OG SER A 53 -0.526 7.872 10.292 1.00 52.24 O ATOM 0 H SER A 53 -0.735 5.566 7.174 1.00 23.23 H new ATOM 0 HA SER A 53 1.284 7.535 7.894 1.00 41.23 H new ATOM 0 HB2 SER A 53 -0.284 9.027 8.606 1.00 63.21 H new ATOM 0 HB3 SER A 53 -1.583 7.853 8.526 1.00 63.21 H new ATOM 0 HG SER A 53 -1.434 7.949 10.653 1.00 52.24 H new ATOM 871 N LYS A 54 2.030 5.913 9.597 1.00 42.23 N ATOM 872 CA LYS A 54 2.530 4.917 10.537 1.00 2.40 C ATOM 873 C LYS A 54 1.643 4.844 11.775 1.00 14.54 C ATOM 874 O LYS A 54 1.230 3.762 12.191 1.00 52.33 O ATOM 875 CB LYS A 54 3.968 5.248 10.945 1.00 15.05 C ATOM 876 CG LYS A 54 4.608 4.190 11.828 1.00 53.42 C ATOM 877 CD LYS A 54 5.969 4.636 12.334 1.00 64.12 C ATOM 878 CE LYS A 54 6.407 3.824 13.543 1.00 4.44 C ATOM 879 NZ LYS A 54 6.779 4.697 14.692 1.00 71.23 N ATOM 0 H LYS A 54 2.728 6.591 9.291 1.00 42.23 H new ATOM 0 HA LYS A 54 2.513 3.946 10.042 1.00 2.40 H new ATOM 0 HB2 LYS A 54 4.572 5.373 10.046 1.00 15.05 H new ATOM 0 HB3 LYS A 54 3.977 6.203 11.471 1.00 15.05 H new ATOM 0 HG2 LYS A 54 3.955 3.978 12.675 1.00 53.42 H new ATOM 0 HG3 LYS A 54 4.714 3.262 11.267 1.00 53.42 H new ATOM 0 HD2 LYS A 54 6.706 4.532 11.538 1.00 64.12 H new ATOM 0 HD3 LYS A 54 5.932 5.693 12.598 1.00 64.12 H new ATOM 0 HE2 LYS A 54 5.601 3.154 13.842 1.00 4.44 H new ATOM 0 HE3 LYS A 54 7.257 3.198 13.272 1.00 4.44 H new ATOM 0 HZ1 LYS A 54 7.072 4.106 15.496 1.00 71.23 H new ATOM 0 HZ2 LYS A 54 7.565 5.319 14.415 1.00 71.23 H new ATOM 0 HZ3 LYS A 54 5.960 5.276 14.968 1.00 71.23 H new ATOM 893 N GLU A 55 1.352 6.003 12.359 1.00 4.11 N ATOM 894 CA GLU A 55 0.513 6.069 13.550 1.00 71.34 C ATOM 895 C GLU A 55 -0.881 5.516 13.264 1.00 44.32 C ATOM 896 O GLU A 55 -1.509 4.909 14.130 1.00 53.33 O ATOM 897 CB GLU A 55 0.409 7.511 14.049 1.00 40.54 C ATOM 898 CG GLU A 55 -0.056 7.625 15.491 1.00 61.33 C ATOM 899 CD GLU A 55 0.887 8.450 16.345 1.00 61.24 C ATOM 900 OE1 GLU A 55 1.063 9.649 16.046 1.00 44.34 O ATOM 901 OE2 GLU A 55 1.449 7.895 17.313 1.00 52.25 O ATOM 0 H GLU A 55 1.685 6.908 12.027 1.00 4.11 H new ATOM 0 HA GLU A 55 0.976 5.457 14.324 1.00 71.34 H new ATOM 0 HB2 GLU A 55 1.383 7.991 13.951 1.00 40.54 H new ATOM 0 HB3 GLU A 55 -0.282 8.059 13.409 1.00 40.54 H new ATOM 0 HG2 GLU A 55 -1.049 8.075 15.514 1.00 61.33 H new ATOM 0 HG3 GLU A 55 -0.148 6.627 15.919 1.00 61.33 H new ATOM 908 N GLY A 56 -1.358 5.732 12.041 1.00 5.55 N ATOM 909 CA GLY A 56 -2.673 5.251 11.663 1.00 51.24 C ATOM 910 C GLY A 56 -2.710 3.747 11.482 1.00 32.41 C ATOM 911 O GLY A 56 -3.560 3.066 12.058 1.00 53.40 O ATOM 0 H GLY A 56 -0.857 6.231 11.306 1.00 5.55 H new ATOM 0 HA2 GLY A 56 -3.395 5.540 12.426 1.00 51.24 H new ATOM 0 HA3 GLY A 56 -2.980 5.733 10.735 1.00 51.24 H new ATOM 915 N CYS A 57 -1.788 3.226 10.680 1.00 33.21 N ATOM 916 CA CYS A 57 -1.720 1.792 10.423 1.00 35.41 C ATOM 917 C CYS A 57 -1.586 1.011 11.727 1.00 41.43 C ATOM 918 O CYS A 57 -2.101 -0.099 11.852 1.00 73.00 O ATOM 919 CB CYS A 57 -0.543 1.473 9.500 1.00 35.00 C ATOM 920 SG CYS A 57 -1.020 1.116 7.793 1.00 42.34 S ATOM 0 H CYS A 57 -1.077 3.775 10.197 1.00 33.21 H new ATOM 0 HA CYS A 57 -2.647 1.492 9.935 1.00 35.41 H new ATOM 0 HB2 CYS A 57 0.147 2.317 9.504 1.00 35.00 H new ATOM 0 HB3 CYS A 57 -0.002 0.616 9.902 1.00 35.00 H new ATOM 0 HG CYS A 57 -0.636 2.090 7.022 1.00 42.34 H new ATOM 926 N GLN A 58 -0.889 1.600 12.693 1.00 24.12 N ATOM 927 CA GLN A 58 -0.684 0.958 13.986 1.00 14.25 C ATOM 928 C GLN A 58 -2.008 0.785 14.723 1.00 14.35 C ATOM 929 O GLN A 58 -2.225 -0.215 15.407 1.00 23.52 O ATOM 930 CB GLN A 58 0.284 1.779 14.839 1.00 3.05 C ATOM 931 CG GLN A 58 0.960 0.974 15.938 1.00 13.11 C ATOM 932 CD GLN A 58 2.184 1.668 16.502 1.00 51.14 C ATOM 933 OE1 GLN A 58 2.777 2.531 15.853 1.00 74.43 O ATOM 934 NE2 GLN A 58 2.570 1.295 17.716 1.00 31.01 N ATOM 0 H GLN A 58 -0.457 2.520 12.605 1.00 24.12 H new ATOM 0 HA GLN A 58 -0.255 -0.028 13.810 1.00 14.25 H new ATOM 0 HB2 GLN A 58 1.049 2.210 14.193 1.00 3.05 H new ATOM 0 HB3 GLN A 58 -0.258 2.610 15.290 1.00 3.05 H new ATOM 0 HG2 GLN A 58 0.247 0.794 16.742 1.00 13.11 H new ATOM 0 HG3 GLN A 58 1.249 -0.000 15.544 1.00 13.11 H new ATOM 0 HE21 GLN A 58 2.049 0.576 18.218 1.00 31.01 H new ATOM 0 HE22 GLN A 58 3.387 1.727 18.147 1.00 31.01 H new ATOM 943 N LYS A 59 -2.892 1.767 14.580 1.00 11.23 N ATOM 944 CA LYS A 59 -4.196 1.724 15.231 1.00 11.52 C ATOM 945 C LYS A 59 -5.090 0.668 14.590 1.00 52.24 C ATOM 946 O LYS A 59 -6.008 0.149 15.226 1.00 51.44 O ATOM 947 CB LYS A 59 -4.872 3.095 15.155 1.00 54.23 C ATOM 948 CG LYS A 59 -4.831 3.867 16.462 1.00 54.40 C ATOM 949 CD LYS A 59 -6.223 4.287 16.906 1.00 62.13 C ATOM 950 CE LYS A 59 -6.355 4.263 18.421 1.00 54.53 C ATOM 951 NZ LYS A 59 -6.251 2.881 18.965 1.00 3.54 N ATOM 0 H LYS A 59 -2.729 2.603 14.019 1.00 11.23 H new ATOM 0 HA LYS A 59 -4.043 1.458 16.277 1.00 11.52 H new ATOM 0 HB2 LYS A 59 -4.388 3.687 14.378 1.00 54.23 H new ATOM 0 HB3 LYS A 59 -5.911 2.962 14.854 1.00 54.23 H new ATOM 0 HG2 LYS A 59 -4.372 3.251 17.235 1.00 54.40 H new ATOM 0 HG3 LYS A 59 -4.204 4.751 16.344 1.00 54.40 H new ATOM 0 HD2 LYS A 59 -6.437 5.290 16.537 1.00 62.13 H new ATOM 0 HD3 LYS A 59 -6.964 3.620 16.464 1.00 62.13 H new ATOM 0 HE2 LYS A 59 -5.578 4.887 18.863 1.00 54.53 H new ATOM 0 HE3 LYS A 59 -7.313 4.695 18.709 1.00 54.53 H new ATOM 0 HZ1 LYS A 59 -6.774 2.821 19.862 1.00 3.54 H new ATOM 0 HZ2 LYS A 59 -6.655 2.208 18.283 1.00 3.54 H new ATOM 0 HZ3 LYS A 59 -5.251 2.647 19.131 1.00 3.54 H new ATOM 965 N ILE A 60 -4.815 0.354 13.328 1.00 32.02 N ATOM 966 CA ILE A 60 -5.593 -0.642 12.603 1.00 75.33 C ATOM 967 C ILE A 60 -5.135 -2.055 12.946 1.00 25.34 C ATOM 968 O ILE A 60 -5.953 -2.951 13.161 1.00 43.22 O ATOM 969 CB ILE A 60 -5.490 -0.437 11.080 1.00 75.42 C ATOM 970 CG1 ILE A 60 -5.834 1.008 10.713 1.00 22.13 C ATOM 971 CG2 ILE A 60 -6.409 -1.407 10.352 1.00 54.25 C ATOM 972 CD1 ILE A 60 -5.579 1.340 9.260 1.00 61.43 C ATOM 0 H ILE A 60 -4.060 0.775 12.787 1.00 32.02 H new ATOM 0 HA ILE A 60 -6.631 -0.515 12.910 1.00 75.33 H new ATOM 0 HB ILE A 60 -4.464 -0.636 10.770 1.00 75.42 H new ATOM 0 HG12 ILE A 60 -6.884 1.192 10.940 1.00 22.13 H new ATOM 0 HG13 ILE A 60 -5.250 1.682 11.339 1.00 22.13 H new ATOM 0 HG21 ILE A 60 -6.325 -1.250 9.277 1.00 54.25 H new ATOM 0 HG22 ILE A 60 -6.122 -2.431 10.593 1.00 54.25 H new ATOM 0 HG23 ILE A 60 -7.439 -1.236 10.664 1.00 54.25 H new ATOM 0 HD11 ILE A 60 -5.845 2.380 9.072 1.00 61.43 H new ATOM 0 HD12 ILE A 60 -4.524 1.189 9.032 1.00 61.43 H new ATOM 0 HD13 ILE A 60 -6.184 0.691 8.627 1.00 61.43 H new ATOM 984 N LEU A 61 -3.821 -2.248 12.999 1.00 73.40 N ATOM 985 CA LEU A 61 -3.252 -3.553 13.319 1.00 40.10 C ATOM 986 C LEU A 61 -3.736 -4.039 14.682 1.00 42.35 C ATOM 987 O LEU A 61 -3.964 -5.232 14.883 1.00 73.13 O ATOM 988 CB LEU A 61 -1.724 -3.482 13.303 1.00 30.21 C ATOM 989 CG LEU A 61 -1.068 -3.444 11.922 1.00 32.43 C ATOM 990 CD1 LEU A 61 0.441 -3.313 12.052 1.00 64.13 C ATOM 991 CD2 LEU A 61 -1.431 -4.689 11.125 1.00 22.24 C ATOM 0 H LEU A 61 -3.130 -1.518 12.825 1.00 73.40 H new ATOM 0 HA LEU A 61 -3.585 -4.263 12.562 1.00 40.10 H new ATOM 0 HB2 LEU A 61 -1.416 -2.594 13.854 1.00 30.21 H new ATOM 0 HB3 LEU A 61 -1.335 -4.344 13.845 1.00 30.21 H new ATOM 0 HG LEU A 61 -1.443 -2.572 11.386 1.00 32.43 H new ATOM 0 HD11 LEU A 61 0.891 -3.288 11.059 1.00 64.13 H new ATOM 0 HD12 LEU A 61 0.682 -2.392 12.583 1.00 64.13 H new ATOM 0 HD13 LEU A 61 0.834 -4.165 12.607 1.00 64.13 H new ATOM 0 HD21 LEU A 61 -0.956 -4.645 10.145 1.00 22.24 H new ATOM 0 HD22 LEU A 61 -1.085 -5.575 11.657 1.00 22.24 H new ATOM 0 HD23 LEU A 61 -2.513 -4.739 11.002 1.00 22.24 H new ATOM 1003 N THR A 62 -3.892 -3.106 15.616 1.00 53.34 N ATOM 1004 CA THR A 62 -4.350 -3.438 16.959 1.00 50.03 C ATOM 1005 C THR A 62 -5.776 -3.977 16.936 1.00 3.01 C ATOM 1006 O THR A 62 -6.176 -4.740 17.815 1.00 23.14 O ATOM 1007 CB THR A 62 -4.291 -2.213 17.891 1.00 30.43 C ATOM 1008 OG1 THR A 62 -4.015 -2.632 19.233 1.00 62.04 O ATOM 1009 CG2 THR A 62 -5.602 -1.442 17.855 1.00 23.12 C ATOM 0 H THR A 62 -3.708 -2.114 15.467 1.00 53.34 H new ATOM 0 HA THR A 62 -3.680 -4.208 17.340 1.00 50.03 H new ATOM 0 HB THR A 62 -3.493 -1.557 17.543 1.00 30.43 H new ATOM 0 HG1 THR A 62 -3.977 -1.848 19.819 1.00 62.04 H new ATOM 0 HG21 THR A 62 -5.536 -0.582 18.521 1.00 23.12 H new ATOM 0 HG22 THR A 62 -5.795 -1.100 16.838 1.00 23.12 H new ATOM 0 HG23 THR A 62 -6.415 -2.091 18.180 1.00 23.12 H new ATOM 1017 N VAL A 63 -6.539 -3.576 15.924 1.00 12.14 N ATOM 1018 CA VAL A 63 -7.921 -4.021 15.786 1.00 2.53 C ATOM 1019 C VAL A 63 -7.995 -5.377 15.095 1.00 30.43 C ATOM 1020 O VAL A 63 -8.754 -6.256 15.507 1.00 0.24 O ATOM 1021 CB VAL A 63 -8.760 -3.004 14.989 1.00 34.45 C ATOM 1022 CG1 VAL A 63 -10.191 -3.498 14.834 1.00 64.42 C ATOM 1023 CG2 VAL A 63 -8.729 -1.642 15.665 1.00 41.30 C ATOM 0 H VAL A 63 -6.224 -2.944 15.188 1.00 12.14 H new ATOM 0 HA VAL A 63 -8.328 -4.108 16.793 1.00 2.53 H new ATOM 0 HB VAL A 63 -8.326 -2.901 13.995 1.00 34.45 H new ATOM 0 HG11 VAL A 63 -10.769 -2.767 14.269 1.00 64.42 H new ATOM 0 HG12 VAL A 63 -10.192 -4.450 14.303 1.00 64.42 H new ATOM 0 HG13 VAL A 63 -10.639 -3.631 15.819 1.00 64.42 H new ATOM 0 HG21 VAL A 63 -9.327 -0.936 15.089 1.00 41.30 H new ATOM 0 HG22 VAL A 63 -9.138 -1.726 16.672 1.00 41.30 H new ATOM 0 HG23 VAL A 63 -7.700 -1.286 15.720 1.00 41.30 H new ATOM 1033 N LEU A 64 -7.202 -5.543 14.042 1.00 11.04 N ATOM 1034 CA LEU A 64 -7.177 -6.794 13.293 1.00 63.30 C ATOM 1035 C LEU A 64 -6.389 -7.863 14.044 1.00 41.10 C ATOM 1036 O LEU A 64 -6.497 -9.052 13.746 1.00 62.45 O ATOM 1037 CB LEU A 64 -6.564 -6.571 11.909 1.00 2.34 C ATOM 1038 CG LEU A 64 -7.445 -5.842 10.895 1.00 55.14 C ATOM 1039 CD1 LEU A 64 -6.654 -5.514 9.638 1.00 70.30 C ATOM 1040 CD2 LEU A 64 -8.669 -6.679 10.553 1.00 34.21 C ATOM 0 H LEU A 64 -6.568 -4.827 13.688 1.00 11.04 H new ATOM 0 HA LEU A 64 -8.204 -7.140 13.177 1.00 63.30 H new ATOM 0 HB2 LEU A 64 -5.640 -6.006 12.030 1.00 2.34 H new ATOM 0 HB3 LEU A 64 -6.293 -7.541 11.493 1.00 2.34 H new ATOM 0 HG LEU A 64 -7.782 -4.907 11.342 1.00 55.14 H new ATOM 0 HD11 LEU A 64 -7.298 -4.995 8.928 1.00 70.30 H new ATOM 0 HD12 LEU A 64 -5.809 -4.875 9.896 1.00 70.30 H new ATOM 0 HD13 LEU A 64 -6.287 -6.436 9.188 1.00 70.30 H new ATOM 0 HD21 LEU A 64 -9.285 -6.144 9.830 1.00 34.21 H new ATOM 0 HD22 LEU A 64 -8.352 -7.630 10.126 1.00 34.21 H new ATOM 0 HD23 LEU A 64 -9.249 -6.863 11.458 1.00 34.21 H new ATOM 1052 N ASP A 65 -5.599 -7.431 15.021 1.00 43.15 N ATOM 1053 CA ASP A 65 -4.795 -8.351 15.817 1.00 0.22 C ATOM 1054 C ASP A 65 -5.667 -9.439 16.435 1.00 71.41 C ATOM 1055 O ASP A 65 -5.495 -10.630 16.173 1.00 52.03 O ATOM 1056 CB ASP A 65 -4.051 -7.591 16.917 1.00 51.15 C ATOM 1057 CG ASP A 65 -2.562 -7.493 16.647 1.00 74.00 C ATOM 1058 OD1 ASP A 65 -1.947 -8.534 16.336 1.00 44.45 O ATOM 1059 OD2 ASP A 65 -2.013 -6.376 16.748 1.00 1.03 O ATOM 0 H ASP A 65 -5.498 -6.450 15.281 1.00 43.15 H new ATOM 0 HA ASP A 65 -4.068 -8.824 15.157 1.00 0.22 H new ATOM 0 HB2 ASP A 65 -4.468 -6.588 17.007 1.00 51.15 H new ATOM 0 HB3 ASP A 65 -4.212 -8.090 17.872 1.00 51.15 H new ATOM 1064 N PRO A 66 -6.626 -9.024 17.276 1.00 5.22 N ATOM 1065 CA PRO A 66 -7.543 -9.948 17.949 1.00 12.13 C ATOM 1066 C PRO A 66 -8.533 -10.589 16.982 1.00 11.45 C ATOM 1067 O PRO A 66 -9.209 -11.558 17.324 1.00 34.22 O ATOM 1068 CB PRO A 66 -8.277 -9.052 18.951 1.00 60.53 C ATOM 1069 CG PRO A 66 -8.202 -7.686 18.363 1.00 44.32 C ATOM 1070 CD PRO A 66 -6.887 -7.620 17.635 1.00 55.11 C ATOM 0 HA PRO A 66 -7.015 -10.783 18.410 1.00 12.13 H new ATOM 0 HB2 PRO A 66 -9.311 -9.370 19.083 1.00 60.53 H new ATOM 0 HB3 PRO A 66 -7.805 -9.087 19.933 1.00 60.53 H new ATOM 0 HG2 PRO A 66 -9.034 -7.508 17.682 1.00 44.32 H new ATOM 0 HG3 PRO A 66 -8.257 -6.923 19.140 1.00 44.32 H new ATOM 0 HD2 PRO A 66 -6.948 -6.984 16.752 1.00 55.11 H new ATOM 0 HD3 PRO A 66 -6.098 -7.213 18.267 1.00 55.11 H new ATOM 1078 N MET A 67 -8.612 -10.040 15.774 1.00 33.53 N ATOM 1079 CA MET A 67 -9.519 -10.561 14.758 1.00 51.34 C ATOM 1080 C MET A 67 -8.993 -11.871 14.179 1.00 15.42 C ATOM 1081 O MET A 67 -9.756 -12.675 13.643 1.00 14.44 O ATOM 1082 CB MET A 67 -9.707 -9.535 13.638 1.00 14.35 C ATOM 1083 CG MET A 67 -10.507 -8.313 14.062 1.00 70.30 C ATOM 1084 SD MET A 67 -12.271 -8.489 13.731 1.00 43.45 S ATOM 1085 CE MET A 67 -12.964 -7.950 15.292 1.00 62.02 C ATOM 0 H MET A 67 -8.060 -9.236 15.475 1.00 33.53 H new ATOM 0 HA MET A 67 -10.482 -10.754 15.231 1.00 51.34 H new ATOM 0 HB2 MET A 67 -8.728 -9.213 13.283 1.00 14.35 H new ATOM 0 HB3 MET A 67 -10.209 -10.014 12.798 1.00 14.35 H new ATOM 0 HG2 MET A 67 -10.357 -8.137 15.127 1.00 70.30 H new ATOM 0 HG3 MET A 67 -10.129 -7.436 13.537 1.00 70.30 H new ATOM 0 HE1 MET A 67 -14.052 -8.002 15.245 1.00 62.02 H new ATOM 0 HE2 MET A 67 -12.604 -8.597 16.092 1.00 62.02 H new ATOM 0 HE3 MET A 67 -12.658 -6.923 15.490 1.00 62.02 H new ATOM 1095 N VAL A 68 -7.685 -12.079 14.291 1.00 73.02 N ATOM 1096 CA VAL A 68 -7.058 -13.292 13.780 1.00 50.24 C ATOM 1097 C VAL A 68 -7.683 -14.537 14.399 1.00 54.25 C ATOM 1098 O VAL A 68 -8.204 -15.411 13.705 1.00 53.51 O ATOM 1099 CB VAL A 68 -5.543 -13.300 14.057 1.00 40.22 C ATOM 1100 CG1 VAL A 68 -5.032 -14.726 14.189 1.00 23.24 C ATOM 1101 CG2 VAL A 68 -4.797 -12.557 12.959 1.00 61.25 C ATOM 0 H VAL A 68 -7.039 -11.423 14.731 1.00 73.02 H new ATOM 0 HA VAL A 68 -7.223 -13.304 12.703 1.00 50.24 H new ATOM 0 HB VAL A 68 -5.361 -12.786 15.001 1.00 40.22 H new ATOM 0 HG11 VAL A 68 -3.960 -14.712 14.384 1.00 23.24 H new ATOM 0 HG12 VAL A 68 -5.545 -15.221 15.014 1.00 23.24 H new ATOM 0 HG13 VAL A 68 -5.225 -15.269 13.264 1.00 23.24 H new ATOM 0 HG21 VAL A 68 -3.728 -12.572 13.171 1.00 61.25 H new ATOM 0 HG22 VAL A 68 -4.984 -13.041 12.000 1.00 61.25 H new ATOM 0 HG23 VAL A 68 -5.144 -11.524 12.918 1.00 61.25 H new ATOM 1111 N PRO A 69 -7.632 -14.622 15.736 1.00 15.12 N ATOM 1112 CA PRO A 69 -8.190 -15.756 16.479 1.00 13.21 C ATOM 1113 C PRO A 69 -9.714 -15.783 16.438 1.00 54.45 C ATOM 1114 O PRO A 69 -10.346 -16.670 17.012 1.00 75.15 O ATOM 1115 CB PRO A 69 -7.698 -15.519 17.909 1.00 35.32 C ATOM 1116 CG PRO A 69 -7.476 -14.049 17.995 1.00 11.30 C ATOM 1117 CD PRO A 69 -7.027 -13.617 16.626 1.00 21.34 C ATOM 0 HA PRO A 69 -7.878 -16.712 16.059 1.00 13.21 H new ATOM 0 HB2 PRO A 69 -8.434 -15.852 18.641 1.00 35.32 H new ATOM 0 HB3 PRO A 69 -6.779 -16.070 18.108 1.00 35.32 H new ATOM 0 HG2 PRO A 69 -8.391 -13.533 18.287 1.00 11.30 H new ATOM 0 HG3 PRO A 69 -6.722 -13.811 18.746 1.00 11.30 H new ATOM 0 HD2 PRO A 69 -7.372 -12.611 16.389 1.00 21.34 H new ATOM 0 HD3 PRO A 69 -5.940 -13.609 16.543 1.00 21.34 H new ATOM 1125 N THR A 70 -10.301 -14.804 15.754 1.00 23.51 N ATOM 1126 CA THR A 70 -11.751 -14.716 15.638 1.00 3.32 C ATOM 1127 C THR A 70 -12.169 -14.380 14.211 1.00 23.02 C ATOM 1128 O THR A 70 -13.153 -13.676 13.992 1.00 51.52 O ATOM 1129 CB THR A 70 -12.327 -13.653 16.593 1.00 24.22 C ATOM 1130 OG1 THR A 70 -11.475 -13.508 17.736 1.00 74.35 O ATOM 1131 CG2 THR A 70 -13.729 -14.034 17.044 1.00 3.02 C ATOM 0 H THR A 70 -9.794 -14.062 15.273 1.00 23.51 H new ATOM 0 HA THR A 70 -12.150 -15.693 15.910 1.00 3.32 H new ATOM 0 HB THR A 70 -12.380 -12.705 16.057 1.00 24.22 H new ATOM 0 HG1 THR A 70 -10.754 -12.877 17.529 1.00 74.35 H new ATOM 0 HG21 THR A 70 -14.115 -13.269 17.717 1.00 3.02 H new ATOM 0 HG22 THR A 70 -14.381 -14.115 16.175 1.00 3.02 H new ATOM 0 HG23 THR A 70 -13.696 -14.992 17.564 1.00 3.02 H new ATOM 1139 N GLY A 71 -11.414 -14.890 13.243 1.00 62.04 N ATOM 1140 CA GLY A 71 -11.723 -14.633 11.848 1.00 20.31 C ATOM 1141 C GLY A 71 -11.298 -15.771 10.941 1.00 32.01 C ATOM 1142 O GLY A 71 -10.827 -16.806 11.412 1.00 62.23 O ATOM 0 H GLY A 71 -10.594 -15.476 13.399 1.00 62.04 H new ATOM 0 HA2 GLY A 71 -12.795 -14.468 11.741 1.00 20.31 H new ATOM 0 HA3 GLY A 71 -11.226 -13.716 11.532 1.00 20.31 H new ATOM 1146 N SER A 72 -11.467 -15.580 9.637 1.00 62.35 N ATOM 1147 CA SER A 72 -11.102 -16.601 8.661 1.00 34.43 C ATOM 1148 C SER A 72 -10.049 -16.075 7.692 1.00 62.15 C ATOM 1149 O SER A 72 -9.483 -15.002 7.896 1.00 15.42 O ATOM 1150 CB SER A 72 -12.339 -17.062 7.888 1.00 72.33 C ATOM 1151 OG SER A 72 -12.490 -16.329 6.684 1.00 33.42 O ATOM 0 H SER A 72 -11.854 -14.728 9.231 1.00 62.35 H new ATOM 0 HA SER A 72 -10.682 -17.450 9.200 1.00 34.43 H new ATOM 0 HB2 SER A 72 -12.255 -18.125 7.662 1.00 72.33 H new ATOM 0 HB3 SER A 72 -13.227 -16.936 8.508 1.00 72.33 H new ATOM 0 HG SER A 72 -13.286 -16.643 6.207 1.00 33.42 H new ATOM 1157 N GLU A 73 -9.791 -16.840 6.635 1.00 21.13 N ATOM 1158 CA GLU A 73 -8.805 -16.452 5.634 1.00 3.50 C ATOM 1159 C GLU A 73 -9.093 -15.051 5.101 1.00 32.00 C ATOM 1160 O GLU A 73 -8.184 -14.238 4.939 1.00 55.11 O ATOM 1161 CB GLU A 73 -8.794 -17.456 4.480 1.00 62.11 C ATOM 1162 CG GLU A 73 -7.404 -17.953 4.119 1.00 71.13 C ATOM 1163 CD GLU A 73 -7.375 -18.692 2.795 1.00 23.31 C ATOM 1164 OE1 GLU A 73 -8.238 -18.409 1.939 1.00 54.23 O ATOM 1165 OE2 GLU A 73 -6.489 -19.554 2.616 1.00 41.14 O ATOM 0 H GLU A 73 -10.251 -17.731 6.451 1.00 21.13 H new ATOM 0 HA GLU A 73 -7.825 -16.447 6.110 1.00 3.50 H new ATOM 0 HB2 GLU A 73 -9.418 -18.309 4.746 1.00 62.11 H new ATOM 0 HB3 GLU A 73 -9.244 -16.993 3.602 1.00 62.11 H new ATOM 0 HG2 GLU A 73 -6.720 -17.106 4.073 1.00 71.13 H new ATOM 0 HG3 GLU A 73 -7.042 -18.613 4.907 1.00 71.13 H new ATOM 1172 N ASN A 74 -10.365 -14.778 4.830 1.00 14.10 N ATOM 1173 CA ASN A 74 -10.775 -13.477 4.314 1.00 3.31 C ATOM 1174 C ASN A 74 -10.352 -12.358 5.262 1.00 34.31 C ATOM 1175 O ASN A 74 -10.230 -11.201 4.859 1.00 43.10 O ATOM 1176 CB ASN A 74 -12.290 -13.440 4.108 1.00 73.44 C ATOM 1177 CG ASN A 74 -12.728 -14.244 2.899 1.00 75.33 C ATOM 1178 OD1 ASN A 74 -12.006 -14.337 1.906 1.00 53.10 O ATOM 1179 ND2 ASN A 74 -13.918 -14.830 2.977 1.00 24.24 N ATOM 0 H ASN A 74 -11.130 -15.440 4.959 1.00 14.10 H new ATOM 0 HA ASN A 74 -10.281 -13.323 3.354 1.00 3.31 H new ATOM 0 HB2 ASN A 74 -12.785 -13.829 4.998 1.00 73.44 H new ATOM 0 HB3 ASN A 74 -12.613 -12.406 3.990 1.00 73.44 H new ATOM 0 HD21 ASN A 74 -14.266 -15.384 2.194 1.00 24.24 H new ATOM 0 HD22 ASN A 74 -14.483 -14.726 3.820 1.00 24.24 H new ATOM 1186 N LEU A 75 -10.131 -12.712 6.523 1.00 2.33 N ATOM 1187 CA LEU A 75 -9.721 -11.738 7.530 1.00 72.51 C ATOM 1188 C LEU A 75 -8.202 -11.699 7.663 1.00 72.11 C ATOM 1189 O LEU A 75 -7.599 -10.627 7.705 1.00 12.54 O ATOM 1190 CB LEU A 75 -10.354 -12.076 8.881 1.00 13.40 C ATOM 1191 CG LEU A 75 -10.286 -10.981 9.946 1.00 0.41 C ATOM 1192 CD1 LEU A 75 -11.536 -10.999 10.812 1.00 53.04 C ATOM 1193 CD2 LEU A 75 -9.040 -11.147 10.803 1.00 25.21 C ATOM 0 H LEU A 75 -10.229 -13.665 6.873 1.00 2.33 H new ATOM 0 HA LEU A 75 -10.064 -10.754 7.210 1.00 72.51 H new ATOM 0 HB2 LEU A 75 -11.401 -12.330 8.716 1.00 13.40 H new ATOM 0 HB3 LEU A 75 -9.868 -12.969 9.275 1.00 13.40 H new ATOM 0 HG LEU A 75 -10.231 -10.016 9.443 1.00 0.41 H new ATOM 0 HD11 LEU A 75 -11.469 -10.213 11.564 1.00 53.04 H new ATOM 0 HD12 LEU A 75 -12.414 -10.830 10.188 1.00 53.04 H new ATOM 0 HD13 LEU A 75 -11.623 -11.967 11.306 1.00 53.04 H new ATOM 0 HD21 LEU A 75 -9.008 -10.359 11.555 1.00 25.21 H new ATOM 0 HD22 LEU A 75 -9.064 -12.119 11.296 1.00 25.21 H new ATOM 0 HD23 LEU A 75 -8.153 -11.082 10.172 1.00 25.21 H new ATOM 1205 N LYS A 76 -7.588 -12.876 7.726 1.00 14.22 N ATOM 1206 CA LYS A 76 -6.139 -12.978 7.851 1.00 52.44 C ATOM 1207 C LYS A 76 -5.442 -12.244 6.709 1.00 12.13 C ATOM 1208 O LYS A 76 -4.388 -11.637 6.901 1.00 73.43 O ATOM 1209 CB LYS A 76 -5.710 -14.446 7.864 1.00 22.52 C ATOM 1210 CG LYS A 76 -5.731 -15.074 9.247 1.00 14.34 C ATOM 1211 CD LYS A 76 -5.153 -16.479 9.232 1.00 44.53 C ATOM 1212 CE LYS A 76 -5.680 -17.311 10.390 1.00 22.51 C ATOM 1213 NZ LYS A 76 -4.958 -18.608 10.514 1.00 32.23 N ATOM 0 H LYS A 76 -8.072 -13.773 7.692 1.00 14.22 H new ATOM 0 HA LYS A 76 -5.847 -12.512 8.792 1.00 52.44 H new ATOM 0 HB2 LYS A 76 -6.368 -15.014 7.206 1.00 22.52 H new ATOM 0 HB3 LYS A 76 -4.703 -14.525 7.453 1.00 22.52 H new ATOM 0 HG2 LYS A 76 -5.161 -14.453 9.938 1.00 14.34 H new ATOM 0 HG3 LYS A 76 -6.756 -15.105 9.617 1.00 14.34 H new ATOM 0 HD2 LYS A 76 -5.403 -16.966 8.289 1.00 44.53 H new ATOM 0 HD3 LYS A 76 -4.066 -16.427 9.286 1.00 44.53 H new ATOM 0 HE2 LYS A 76 -5.578 -16.748 11.318 1.00 22.51 H new ATOM 0 HE3 LYS A 76 -6.744 -17.500 10.247 1.00 22.51 H new ATOM 0 HZ1 LYS A 76 -5.346 -19.146 11.315 1.00 32.23 H new ATOM 0 HZ2 LYS A 76 -5.076 -19.156 9.638 1.00 32.23 H new ATOM 0 HZ3 LYS A 76 -3.947 -18.428 10.676 1.00 32.23 H new ATOM 1227 N SER A 77 -6.038 -12.302 5.523 1.00 74.22 N ATOM 1228 CA SER A 77 -5.473 -11.645 4.350 1.00 13.02 C ATOM 1229 C SER A 77 -5.251 -10.159 4.615 1.00 53.14 C ATOM 1230 O SER A 77 -4.202 -9.607 4.280 1.00 14.50 O ATOM 1231 CB SER A 77 -6.395 -11.828 3.143 1.00 12.40 C ATOM 1232 OG SER A 77 -5.891 -12.816 2.261 1.00 11.13 O ATOM 0 H SER A 77 -6.912 -12.797 5.349 1.00 74.22 H new ATOM 0 HA SER A 77 -4.509 -12.106 4.134 1.00 13.02 H new ATOM 0 HB2 SER A 77 -7.391 -12.113 3.482 1.00 12.40 H new ATOM 0 HB3 SER A 77 -6.498 -10.881 2.613 1.00 12.40 H new ATOM 0 HG SER A 77 -6.499 -12.915 1.499 1.00 11.13 H new ATOM 1238 N LEU A 78 -6.246 -9.517 5.217 1.00 1.22 N ATOM 1239 CA LEU A 78 -6.161 -8.094 5.528 1.00 52.13 C ATOM 1240 C LEU A 78 -5.058 -7.823 6.545 1.00 23.44 C ATOM 1241 O LEU A 78 -4.234 -6.927 6.361 1.00 54.24 O ATOM 1242 CB LEU A 78 -7.501 -7.588 6.065 1.00 72.32 C ATOM 1243 CG LEU A 78 -7.584 -6.090 6.360 1.00 60.24 C ATOM 1244 CD1 LEU A 78 -7.394 -5.284 5.084 1.00 12.11 C ATOM 1245 CD2 LEU A 78 -8.914 -5.748 7.016 1.00 63.41 C ATOM 0 H LEU A 78 -7.121 -9.959 5.500 1.00 1.22 H new ATOM 0 HA LEU A 78 -5.920 -7.561 4.608 1.00 52.13 H new ATOM 0 HB2 LEU A 78 -8.277 -7.839 5.342 1.00 72.32 H new ATOM 0 HB3 LEU A 78 -7.731 -8.132 6.981 1.00 72.32 H new ATOM 0 HG LEU A 78 -6.783 -5.830 7.052 1.00 60.24 H new ATOM 0 HD11 LEU A 78 -7.456 -4.220 5.313 1.00 12.11 H new ATOM 0 HD12 LEU A 78 -6.417 -5.506 4.655 1.00 12.11 H new ATOM 0 HD13 LEU A 78 -8.173 -5.547 4.368 1.00 12.11 H new ATOM 0 HD21 LEU A 78 -8.955 -4.678 7.219 1.00 63.41 H new ATOM 0 HD22 LEU A 78 -9.730 -6.023 6.348 1.00 63.41 H new ATOM 0 HD23 LEU A 78 -9.010 -6.298 7.952 1.00 63.41 H new ATOM 1257 N PHE A 79 -5.046 -8.606 7.619 1.00 4.04 N ATOM 1258 CA PHE A 79 -4.042 -8.452 8.666 1.00 13.14 C ATOM 1259 C PHE A 79 -2.634 -8.557 8.089 1.00 4.24 C ATOM 1260 O PHE A 79 -1.728 -7.833 8.500 1.00 41.30 O ATOM 1261 CB PHE A 79 -4.241 -9.511 9.752 1.00 20.24 C ATOM 1262 CG PHE A 79 -3.399 -9.282 10.975 1.00 44.14 C ATOM 1263 CD1 PHE A 79 -3.312 -8.023 11.546 1.00 10.14 C ATOM 1264 CD2 PHE A 79 -2.693 -10.326 11.551 1.00 2.54 C ATOM 1265 CE1 PHE A 79 -2.538 -7.809 12.671 1.00 10.54 C ATOM 1266 CE2 PHE A 79 -1.918 -10.117 12.677 1.00 63.35 C ATOM 1267 CZ PHE A 79 -1.839 -8.857 13.236 1.00 31.15 C ATOM 0 H PHE A 79 -5.720 -9.353 7.787 1.00 4.04 H new ATOM 0 HA PHE A 79 -4.162 -7.462 9.107 1.00 13.14 H new ATOM 0 HB2 PHE A 79 -5.291 -9.529 10.042 1.00 20.24 H new ATOM 0 HB3 PHE A 79 -4.008 -10.492 9.339 1.00 20.24 H new ATOM 0 HD1 PHE A 79 -3.855 -7.199 11.107 1.00 10.14 H new ATOM 0 HD2 PHE A 79 -2.749 -11.313 11.116 1.00 2.54 H new ATOM 0 HE1 PHE A 79 -2.480 -6.823 13.108 1.00 10.54 H new ATOM 0 HE2 PHE A 79 -1.375 -10.939 13.119 1.00 63.35 H new ATOM 0 HZ PHE A 79 -1.232 -8.692 14.114 1.00 31.15 H new ATOM 1277 N ASN A 80 -2.458 -9.465 7.135 1.00 42.33 N ATOM 1278 CA ASN A 80 -1.160 -9.666 6.501 1.00 24.24 C ATOM 1279 C ASN A 80 -0.848 -8.534 5.527 1.00 20.03 C ATOM 1280 O ASN A 80 0.301 -8.340 5.130 1.00 5.32 O ATOM 1281 CB ASN A 80 -1.130 -11.008 5.767 1.00 22.33 C ATOM 1282 CG ASN A 80 -1.076 -12.187 6.720 1.00 61.12 C ATOM 1283 OD1 ASN A 80 -2.087 -12.841 6.973 1.00 35.43 O ATOM 1284 ND2 ASN A 80 0.109 -12.463 7.253 1.00 73.23 N ATOM 0 H ASN A 80 -3.198 -10.073 6.784 1.00 42.33 H new ATOM 0 HA ASN A 80 -0.399 -9.669 7.282 1.00 24.24 H new ATOM 0 HB2 ASN A 80 -2.015 -11.094 5.137 1.00 22.33 H new ATOM 0 HB3 ASN A 80 -0.264 -11.038 5.106 1.00 22.33 H new ATOM 0 HD21 ASN A 80 0.207 -13.245 7.901 1.00 73.23 H new ATOM 0 HD22 ASN A 80 0.921 -11.893 7.014 1.00 73.23 H new ATOM 1291 N THR A 81 -1.880 -7.788 5.146 1.00 51.13 N ATOM 1292 CA THR A 81 -1.718 -6.676 4.218 1.00 4.42 C ATOM 1293 C THR A 81 -1.416 -5.379 4.962 1.00 64.54 C ATOM 1294 O THR A 81 -0.623 -4.558 4.501 1.00 40.12 O ATOM 1295 CB THR A 81 -2.977 -6.477 3.353 1.00 3.34 C ATOM 1296 OG1 THR A 81 -3.326 -7.705 2.706 1.00 23.54 O ATOM 1297 CG2 THR A 81 -2.750 -5.394 2.309 1.00 73.11 C ATOM 0 H THR A 81 -2.837 -7.934 5.466 1.00 51.13 H new ATOM 0 HA THR A 81 -0.877 -6.925 3.570 1.00 4.42 H new ATOM 0 HB THR A 81 -3.794 -6.166 4.005 1.00 3.34 H new ATOM 0 HG1 THR A 81 -3.698 -8.328 3.365 1.00 23.54 H new ATOM 0 HG21 THR A 81 -3.652 -5.271 1.710 1.00 73.11 H new ATOM 0 HG22 THR A 81 -2.513 -4.453 2.806 1.00 73.11 H new ATOM 0 HG23 THR A 81 -1.921 -5.681 1.662 1.00 73.11 H new ATOM 1305 N VAL A 82 -2.052 -5.202 6.115 1.00 21.21 N ATOM 1306 CA VAL A 82 -1.850 -4.006 6.924 1.00 43.02 C ATOM 1307 C VAL A 82 -0.452 -3.983 7.531 1.00 24.23 C ATOM 1308 O VAL A 82 0.120 -2.916 7.760 1.00 72.32 O ATOM 1309 CB VAL A 82 -2.891 -3.911 8.055 1.00 4.41 C ATOM 1310 CG1 VAL A 82 -2.626 -2.690 8.923 1.00 53.53 C ATOM 1311 CG2 VAL A 82 -4.299 -3.872 7.481 1.00 62.12 C ATOM 0 H VAL A 82 -2.712 -5.872 6.510 1.00 21.21 H new ATOM 0 HA VAL A 82 -1.968 -3.150 6.259 1.00 43.02 H new ATOM 0 HB VAL A 82 -2.803 -4.799 8.682 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -3.371 -2.639 9.717 1.00 53.53 H new ATOM 0 HG12 VAL A 82 -1.632 -2.765 9.363 1.00 53.53 H new ATOM 0 HG13 VAL A 82 -2.685 -1.789 8.312 1.00 53.53 H new ATOM 0 HG21 VAL A 82 -5.022 -3.805 8.294 1.00 62.12 H new ATOM 0 HG22 VAL A 82 -4.403 -3.003 6.831 1.00 62.12 H new ATOM 0 HG23 VAL A 82 -4.483 -4.780 6.906 1.00 62.12 H new ATOM 1321 N CYS A 83 0.094 -5.166 7.790 1.00 21.32 N ATOM 1322 CA CYS A 83 1.427 -5.283 8.372 1.00 54.10 C ATOM 1323 C CYS A 83 2.493 -4.822 7.384 1.00 24.11 C ATOM 1324 O CYS A 83 3.595 -4.440 7.778 1.00 45.24 O ATOM 1325 CB CYS A 83 1.696 -6.727 8.795 1.00 23.55 C ATOM 1326 SG CYS A 83 2.241 -7.802 7.448 1.00 64.34 S ATOM 0 H CYS A 83 -0.366 -6.058 7.606 1.00 21.32 H new ATOM 0 HA CYS A 83 1.471 -4.641 9.252 1.00 54.10 H new ATOM 0 HB2 CYS A 83 2.455 -6.730 9.577 1.00 23.55 H new ATOM 0 HB3 CYS A 83 0.787 -7.142 9.231 1.00 23.55 H new ATOM 0 HG CYS A 83 1.306 -7.877 6.548 1.00 64.34 H new ATOM 1332 N VAL A 84 2.159 -4.863 6.098 1.00 11.32 N ATOM 1333 CA VAL A 84 3.088 -4.450 5.053 1.00 0.02 C ATOM 1334 C VAL A 84 3.076 -2.936 4.874 1.00 61.13 C ATOM 1335 O VAL A 84 4.117 -2.320 4.641 1.00 31.43 O ATOM 1336 CB VAL A 84 2.751 -5.118 3.707 1.00 63.21 C ATOM 1337 CG1 VAL A 84 3.656 -4.586 2.606 1.00 72.44 C ATOM 1338 CG2 VAL A 84 2.867 -6.631 3.820 1.00 45.24 C ATOM 0 H VAL A 84 1.252 -5.178 5.755 1.00 11.32 H new ATOM 0 HA VAL A 84 4.082 -4.767 5.369 1.00 0.02 H new ATOM 0 HB VAL A 84 1.721 -4.874 3.447 1.00 63.21 H new ATOM 0 HG11 VAL A 84 3.403 -5.069 1.662 1.00 72.44 H new ATOM 0 HG12 VAL A 84 3.518 -3.509 2.510 1.00 72.44 H new ATOM 0 HG13 VAL A 84 4.696 -4.798 2.855 1.00 72.44 H new ATOM 0 HG21 VAL A 84 2.625 -7.087 2.860 1.00 45.24 H new ATOM 0 HG22 VAL A 84 3.885 -6.898 4.103 1.00 45.24 H new ATOM 0 HG23 VAL A 84 2.173 -6.993 4.579 1.00 45.24 H new ATOM 1348 N ILE A 85 1.893 -2.342 4.983 1.00 34.24 N ATOM 1349 CA ILE A 85 1.746 -0.900 4.835 1.00 54.32 C ATOM 1350 C ILE A 85 2.492 -0.155 5.936 1.00 5.30 C ATOM 1351 O ILE A 85 3.259 0.769 5.664 1.00 3.13 O ATOM 1352 CB ILE A 85 0.264 -0.479 4.860 1.00 63.23 C ATOM 1353 CG1 ILE A 85 -0.532 -1.277 3.826 1.00 74.34 C ATOM 1354 CG2 ILE A 85 0.133 1.014 4.600 1.00 41.11 C ATOM 1355 CD1 ILE A 85 -0.126 -0.990 2.397 1.00 31.31 C ATOM 0 H ILE A 85 1.022 -2.837 5.173 1.00 34.24 H new ATOM 0 HA ILE A 85 2.174 -0.638 3.867 1.00 54.32 H new ATOM 0 HB ILE A 85 -0.143 -0.693 5.848 1.00 63.23 H new ATOM 0 HG12 ILE A 85 -0.405 -2.341 4.024 1.00 74.34 H new ATOM 0 HG13 ILE A 85 -1.592 -1.055 3.945 1.00 74.34 H new ATOM 0 HG21 ILE A 85 -0.920 1.296 4.621 1.00 41.11 H new ATOM 0 HG22 ILE A 85 0.672 1.566 5.370 1.00 41.11 H new ATOM 0 HG23 ILE A 85 0.553 1.251 3.623 1.00 41.11 H new ATOM 0 HD11 ILE A 85 -0.732 -1.591 1.719 1.00 31.31 H new ATOM 0 HD12 ILE A 85 -0.279 0.067 2.181 1.00 31.31 H new ATOM 0 HD13 ILE A 85 0.926 -1.239 2.261 1.00 31.31 H new ATOM 1367 N TRP A 86 2.264 -0.564 7.179 1.00 44.23 N ATOM 1368 CA TRP A 86 2.917 0.064 8.322 1.00 45.02 C ATOM 1369 C TRP A 86 4.428 0.117 8.124 1.00 24.33 C ATOM 1370 O TRP A 86 5.053 1.160 8.319 1.00 51.23 O ATOM 1371 CB TRP A 86 2.585 -0.697 9.606 1.00 12.44 C ATOM 1372 CG TRP A 86 3.146 -0.054 10.839 1.00 35.41 C ATOM 1373 CD1 TRP A 86 2.511 0.830 11.664 1.00 53.25 C ATOM 1374 CD2 TRP A 86 4.455 -0.246 11.385 1.00 2.20 C ATOM 1375 NE1 TRP A 86 3.347 1.200 12.689 1.00 10.41 N ATOM 1376 CE2 TRP A 86 4.545 0.554 12.541 1.00 23.55 C ATOM 1377 CE3 TRP A 86 5.560 -1.016 11.011 1.00 54.11 C ATOM 1378 CZ2 TRP A 86 5.696 0.604 13.323 1.00 23.23 C ATOM 1379 CZ3 TRP A 86 6.701 -0.965 11.788 1.00 43.42 C ATOM 1380 CH2 TRP A 86 6.763 -0.160 12.934 1.00 75.34 C ATOM 0 H TRP A 86 1.632 -1.327 7.421 1.00 44.23 H new ATOM 0 HA TRP A 86 2.544 1.085 8.406 1.00 45.02 H new ATOM 0 HB2 TRP A 86 1.502 -0.773 9.705 1.00 12.44 H new ATOM 0 HB3 TRP A 86 2.970 -1.714 9.527 1.00 12.44 H new ATOM 0 HD1 TRP A 86 1.500 1.186 11.530 1.00 53.25 H new ATOM 0 HE1 TRP A 86 3.113 1.851 13.439 1.00 10.41 H new ATOM 0 HE3 TRP A 86 5.522 -1.640 10.130 1.00 54.11 H new ATOM 0 HZ2 TRP A 86 5.745 1.224 14.206 1.00 23.23 H new ATOM 0 HZ3 TRP A 86 7.561 -1.556 11.508 1.00 43.42 H new ATOM 0 HH2 TRP A 86 7.669 -0.142 13.521 1.00 75.34 H new ATOM 1391 N CYS A 87 5.010 -1.013 7.737 1.00 33.23 N ATOM 1392 CA CYS A 87 6.449 -1.095 7.514 1.00 32.20 C ATOM 1393 C CYS A 87 6.921 0.027 6.595 1.00 22.23 C ATOM 1394 O CYS A 87 7.867 0.748 6.915 1.00 31.34 O ATOM 1395 CB CYS A 87 6.816 -2.452 6.912 1.00 20.32 C ATOM 1396 SG CYS A 87 7.592 -3.593 8.081 1.00 2.42 S ATOM 0 H CYS A 87 4.507 -1.885 7.571 1.00 33.23 H new ATOM 0 HA CYS A 87 6.948 -0.986 8.477 1.00 32.20 H new ATOM 0 HB2 CYS A 87 5.914 -2.916 6.512 1.00 20.32 H new ATOM 0 HB3 CYS A 87 7.492 -2.294 6.072 1.00 20.32 H new ATOM 0 HG CYS A 87 7.863 -4.713 7.479 1.00 2.42 H new ATOM 1402 N ILE A 88 6.258 0.167 5.452 1.00 1.45 N ATOM 1403 CA ILE A 88 6.611 1.201 4.487 1.00 11.13 C ATOM 1404 C ILE A 88 6.698 2.569 5.155 1.00 41.54 C ATOM 1405 O ILE A 88 7.537 3.395 4.795 1.00 45.55 O ATOM 1406 CB ILE A 88 5.590 1.268 3.336 1.00 43.11 C ATOM 1407 CG1 ILE A 88 5.501 -0.084 2.626 1.00 74.14 C ATOM 1408 CG2 ILE A 88 5.972 2.365 2.353 1.00 61.42 C ATOM 1409 CD1 ILE A 88 4.217 -0.274 1.848 1.00 20.31 C ATOM 0 H ILE A 88 5.474 -0.422 5.172 1.00 1.45 H new ATOM 0 HA ILE A 88 7.587 0.935 4.081 1.00 11.13 H new ATOM 0 HB ILE A 88 4.610 1.504 3.751 1.00 43.11 H new ATOM 0 HG12 ILE A 88 6.347 -0.185 1.946 1.00 74.14 H new ATOM 0 HG13 ILE A 88 5.590 -0.880 3.365 1.00 74.14 H new ATOM 0 HG21 ILE A 88 5.241 2.400 1.545 1.00 61.42 H new ATOM 0 HG22 ILE A 88 5.990 3.325 2.868 1.00 61.42 H new ATOM 0 HG23 ILE A 88 6.959 2.156 1.940 1.00 61.42 H new ATOM 0 HD11 ILE A 88 4.222 -1.254 1.371 1.00 20.31 H new ATOM 0 HD12 ILE A 88 3.367 -0.206 2.527 1.00 20.31 H new ATOM 0 HD13 ILE A 88 4.136 0.501 1.085 1.00 20.31 H new ATOM 1421 N HIS A 89 5.826 2.803 6.131 1.00 63.53 N ATOM 1422 CA HIS A 89 5.806 4.071 6.852 1.00 74.22 C ATOM 1423 C HIS A 89 6.904 4.110 7.911 1.00 51.54 C ATOM 1424 O HIS A 89 7.436 5.198 8.133 1.00 35.34 O ATOM 1425 CB HIS A 89 4.441 4.287 7.508 1.00 44.12 C ATOM 1426 CG HIS A 89 3.311 4.358 6.528 1.00 75.02 C ATOM 1427 ND1 HIS A 89 3.387 5.053 5.340 1.00 54.33 N ATOM 1428 CD2 HIS A 89 2.072 3.814 6.565 1.00 55.51 C ATOM 1429 CE1 HIS A 89 2.243 4.935 4.689 1.00 30.10 C ATOM 1430 NE2 HIS A 89 1.428 4.187 5.411 1.00 1.02 N ATOM 0 H HIS A 89 5.124 2.131 6.441 1.00 63.53 H new ATOM 0 HA HIS A 89 5.987 4.872 6.135 1.00 74.22 H new ATOM 0 HB2 HIS A 89 4.252 3.475 8.210 1.00 44.12 H new ATOM 0 HB3 HIS A 89 4.467 5.210 8.087 1.00 44.12 H new ATOM 0 HD2 HIS A 89 1.665 3.201 7.355 1.00 55.51 H new ATOM 0 HE1 HIS A 89 2.013 5.375 3.730 1.00 30.10 H new ATOM 0 HE2 HIS A 89 0.476 3.929 5.153 1.00 1.02 H new ATOM 1438 N ALA A 90 7.245 2.994 8.546 1.00 3.31 N ATOM 1439 CA ALA A 90 8.289 2.983 9.563 1.00 3.22 C ATOM 1440 C ALA A 90 9.671 2.861 8.930 1.00 2.01 C ATOM 1441 O ALA A 90 10.668 2.671 9.626 1.00 12.34 O ATOM 1442 CB ALA A 90 8.055 1.847 10.547 1.00 23.25 C ATOM 0 H ALA A 90 6.814 2.086 8.374 1.00 3.31 H new ATOM 0 HA ALA A 90 8.247 3.930 10.101 1.00 3.22 H new ATOM 0 HB1 ALA A 90 8.842 1.851 11.301 1.00 23.25 H new ATOM 0 HB2 ALA A 90 7.088 1.979 11.032 1.00 23.25 H new ATOM 0 HB3 ALA A 90 8.067 0.896 10.014 1.00 23.25 H new ATOM 1448 N GLU A 91 9.722 2.970 7.606 1.00 4.32 N ATOM 1449 CA GLU A 91 10.983 2.870 6.880 1.00 1.23 C ATOM 1450 C GLU A 91 11.613 1.494 7.072 1.00 63.33 C ATOM 1451 O GLU A 91 12.762 1.380 7.498 1.00 40.03 O ATOM 1452 CB GLU A 91 11.954 3.957 7.347 1.00 32.02 C ATOM 1453 CG GLU A 91 11.414 5.368 7.181 1.00 32.54 C ATOM 1454 CD GLU A 91 11.604 6.215 8.424 1.00 21.14 C ATOM 1455 OE1 GLU A 91 12.635 6.044 9.108 1.00 62.04 O ATOM 1456 OE2 GLU A 91 10.721 7.050 8.713 1.00 22.34 O ATOM 0 H GLU A 91 8.906 3.127 7.015 1.00 4.32 H new ATOM 0 HA GLU A 91 10.774 3.011 5.819 1.00 1.23 H new ATOM 0 HB2 GLU A 91 12.195 3.790 8.397 1.00 32.02 H new ATOM 0 HB3 GLU A 91 12.885 3.865 6.788 1.00 32.02 H new ATOM 0 HG2 GLU A 91 11.914 5.848 6.339 1.00 32.54 H new ATOM 0 HG3 GLU A 91 10.353 5.321 6.937 1.00 32.54 H new ATOM 1463 N GLU A 92 10.852 0.451 6.754 1.00 52.30 N ATOM 1464 CA GLU A 92 11.335 -0.917 6.892 1.00 23.44 C ATOM 1465 C GLU A 92 11.395 -1.613 5.536 1.00 65.05 C ATOM 1466 O GLU A 92 10.399 -1.682 4.815 1.00 23.13 O ATOM 1467 CB GLU A 92 10.433 -1.707 7.843 1.00 52.01 C ATOM 1468 CG GLU A 92 10.769 -1.504 9.311 1.00 63.13 C ATOM 1469 CD GLU A 92 11.847 -2.453 9.799 1.00 42.54 C ATOM 1470 OE1 GLU A 92 12.670 -2.893 8.969 1.00 4.04 O ATOM 1471 OE2 GLU A 92 11.867 -2.754 11.010 1.00 2.25 O ATOM 0 H GLU A 92 9.899 0.528 6.399 1.00 52.30 H new ATOM 0 HA GLU A 92 12.343 -0.878 7.306 1.00 23.44 H new ATOM 0 HB2 GLU A 92 9.397 -1.416 7.673 1.00 52.01 H new ATOM 0 HB3 GLU A 92 10.509 -2.768 7.605 1.00 52.01 H new ATOM 0 HG2 GLU A 92 11.097 -0.476 9.466 1.00 63.13 H new ATOM 0 HG3 GLU A 92 9.869 -1.644 9.909 1.00 63.13 H new ATOM 1478 N LYS A 93 12.572 -2.127 5.193 1.00 52.05 N ATOM 1479 CA LYS A 93 12.764 -2.818 3.923 1.00 25.23 C ATOM 1480 C LYS A 93 12.554 -4.320 4.084 1.00 33.32 C ATOM 1481 O LYS A 93 13.197 -4.962 4.914 1.00 23.24 O ATOM 1482 CB LYS A 93 14.168 -2.545 3.378 1.00 1.02 C ATOM 1483 CG LYS A 93 14.559 -1.078 3.413 1.00 4.24 C ATOM 1484 CD LYS A 93 15.562 -0.794 4.519 1.00 65.50 C ATOM 1485 CE LYS A 93 16.948 -0.515 3.957 1.00 72.35 C ATOM 1486 NZ LYS A 93 17.808 0.208 4.934 1.00 72.12 N ATOM 0 H LYS A 93 13.407 -2.078 5.777 1.00 52.05 H new ATOM 0 HA LYS A 93 12.026 -2.439 3.216 1.00 25.23 H new ATOM 0 HB2 LYS A 93 14.891 -3.119 3.957 1.00 1.02 H new ATOM 0 HB3 LYS A 93 14.226 -2.903 2.350 1.00 1.02 H new ATOM 0 HG2 LYS A 93 14.985 -0.791 2.452 1.00 4.24 H new ATOM 0 HG3 LYS A 93 13.669 -0.467 3.562 1.00 4.24 H new ATOM 0 HD2 LYS A 93 15.227 0.062 5.105 1.00 65.50 H new ATOM 0 HD3 LYS A 93 15.608 -1.646 5.197 1.00 65.50 H new ATOM 0 HE2 LYS A 93 17.424 -1.456 3.681 1.00 72.35 H new ATOM 0 HE3 LYS A 93 16.858 0.076 3.046 1.00 72.35 H new ATOM 0 HZ1 LYS A 93 18.743 0.379 4.513 1.00 72.12 H new ATOM 0 HZ2 LYS A 93 17.367 1.118 5.178 1.00 72.12 H new ATOM 0 HZ3 LYS A 93 17.915 -0.367 5.794 1.00 72.12 H new ATOM 1500 N VAL A 94 11.649 -4.876 3.284 1.00 41.52 N ATOM 1501 CA VAL A 94 11.356 -6.303 3.336 1.00 53.31 C ATOM 1502 C VAL A 94 11.555 -6.955 1.972 1.00 15.23 C ATOM 1503 O VAL A 94 12.080 -6.336 1.046 1.00 21.44 O ATOM 1504 CB VAL A 94 9.914 -6.562 3.811 1.00 32.35 C ATOM 1505 CG1 VAL A 94 9.684 -5.945 5.182 1.00 3.35 C ATOM 1506 CG2 VAL A 94 8.914 -6.022 2.800 1.00 3.21 C ATOM 0 H VAL A 94 11.106 -4.359 2.592 1.00 41.52 H new ATOM 0 HA VAL A 94 12.051 -6.743 4.051 1.00 53.31 H new ATOM 0 HB VAL A 94 9.766 -7.639 3.894 1.00 32.35 H new ATOM 0 HG11 VAL A 94 8.660 -6.138 5.501 1.00 3.35 H new ATOM 0 HG12 VAL A 94 10.377 -6.385 5.900 1.00 3.35 H new ATOM 0 HG13 VAL A 94 9.851 -4.869 5.129 1.00 3.35 H new ATOM 0 HG21 VAL A 94 7.901 -6.214 3.152 1.00 3.21 H new ATOM 0 HG22 VAL A 94 9.060 -4.948 2.682 1.00 3.21 H new ATOM 0 HG23 VAL A 94 9.064 -6.516 1.840 1.00 3.21 H new ATOM 1516 N LYS A 95 11.130 -8.208 1.855 1.00 64.53 N ATOM 1517 CA LYS A 95 11.259 -8.946 0.604 1.00 64.24 C ATOM 1518 C LYS A 95 9.937 -9.603 0.221 1.00 63.43 C ATOM 1519 O LYS A 95 9.455 -9.442 -0.901 1.00 31.35 O ATOM 1520 CB LYS A 95 12.353 -10.009 0.725 1.00 24.40 C ATOM 1521 CG LYS A 95 13.688 -9.579 0.141 1.00 54.22 C ATOM 1522 CD LYS A 95 14.167 -10.547 -0.927 1.00 62.24 C ATOM 1523 CE LYS A 95 14.993 -11.675 -0.327 1.00 74.11 C ATOM 1524 NZ LYS A 95 15.913 -12.282 -1.328 1.00 22.00 N ATOM 0 H LYS A 95 10.693 -8.734 2.612 1.00 64.53 H new ATOM 0 HA LYS A 95 11.533 -8.239 -0.179 1.00 64.24 H new ATOM 0 HB2 LYS A 95 12.490 -10.259 1.777 1.00 24.40 H new ATOM 0 HB3 LYS A 95 12.022 -10.918 0.222 1.00 24.40 H new ATOM 0 HG2 LYS A 95 13.594 -8.581 -0.287 1.00 54.22 H new ATOM 0 HG3 LYS A 95 14.431 -9.516 0.936 1.00 54.22 H new ATOM 0 HD2 LYS A 95 13.308 -10.964 -1.453 1.00 62.24 H new ATOM 0 HD3 LYS A 95 14.764 -10.010 -1.665 1.00 62.24 H new ATOM 0 HE2 LYS A 95 15.572 -11.293 0.514 1.00 74.11 H new ATOM 0 HE3 LYS A 95 14.327 -12.443 0.067 1.00 74.11 H new ATOM 0 HZ1 LYS A 95 16.458 -13.046 -0.880 1.00 22.00 H new ATOM 0 HZ2 LYS A 95 15.359 -12.669 -2.119 1.00 22.00 H new ATOM 0 HZ3 LYS A 95 16.565 -11.555 -1.685 1.00 22.00 H new ATOM 1538 N ASP A 96 9.356 -10.343 1.159 1.00 52.51 N ATOM 1539 CA ASP A 96 8.088 -11.022 0.920 1.00 13.03 C ATOM 1540 C ASP A 96 7.115 -10.776 2.069 1.00 31.25 C ATOM 1541 O ASP A 96 7.525 -10.474 3.191 1.00 74.30 O ATOM 1542 CB ASP A 96 8.315 -12.524 0.741 1.00 42.34 C ATOM 1543 CG ASP A 96 9.294 -13.086 1.753 1.00 72.23 C ATOM 1544 OD1 ASP A 96 8.919 -13.207 2.938 1.00 54.31 O ATOM 1545 OD2 ASP A 96 10.435 -13.407 1.359 1.00 14.13 O ATOM 0 H ASP A 96 9.743 -10.488 2.092 1.00 52.51 H new ATOM 0 HA ASP A 96 7.654 -10.616 0.006 1.00 13.03 H new ATOM 0 HB2 ASP A 96 7.362 -13.046 0.833 1.00 42.34 H new ATOM 0 HB3 ASP A 96 8.688 -12.715 -0.265 1.00 42.34 H new ATOM 1550 N THR A 97 5.823 -10.906 1.783 1.00 62.31 N ATOM 1551 CA THR A 97 4.792 -10.696 2.791 1.00 72.31 C ATOM 1552 C THR A 97 5.162 -11.373 4.106 1.00 42.32 C ATOM 1553 O THR A 97 4.887 -10.846 5.183 1.00 24.35 O ATOM 1554 CB THR A 97 3.427 -11.231 2.318 1.00 31.41 C ATOM 1555 OG1 THR A 97 3.008 -10.533 1.140 1.00 1.35 O ATOM 1556 CG2 THR A 97 2.377 -11.074 3.408 1.00 61.23 C ATOM 0 H THR A 97 5.466 -11.156 0.861 1.00 62.31 H new ATOM 0 HA THR A 97 4.718 -9.620 2.948 1.00 72.31 H new ATOM 0 HB THR A 97 3.536 -12.291 2.091 1.00 31.41 H new ATOM 0 HG1 THR A 97 2.456 -9.764 1.394 1.00 1.35 H new ATOM 0 HG21 THR A 97 1.422 -11.459 3.051 1.00 61.23 H new ATOM 0 HG22 THR A 97 2.685 -11.631 4.293 1.00 61.23 H new ATOM 0 HG23 THR A 97 2.271 -10.019 3.662 1.00 61.23 H new ATOM 1564 N GLU A 98 5.788 -12.542 4.009 1.00 11.30 N ATOM 1565 CA GLU A 98 6.196 -13.289 5.193 1.00 74.43 C ATOM 1566 C GLU A 98 7.234 -12.512 5.996 1.00 22.13 C ATOM 1567 O GLU A 98 7.101 -12.346 7.208 1.00 73.40 O ATOM 1568 CB GLU A 98 6.761 -14.653 4.792 1.00 64.43 C ATOM 1569 CG GLU A 98 5.930 -15.373 3.743 1.00 51.21 C ATOM 1570 CD GLU A 98 6.065 -16.881 3.825 1.00 1.10 C ATOM 1571 OE1 GLU A 98 7.211 -17.377 3.779 1.00 55.44 O ATOM 1572 OE2 GLU A 98 5.026 -17.565 3.935 1.00 25.14 O ATOM 0 H GLU A 98 6.023 -12.991 3.124 1.00 11.30 H new ATOM 0 HA GLU A 98 5.316 -13.438 5.819 1.00 74.43 H new ATOM 0 HB2 GLU A 98 7.774 -14.520 4.412 1.00 64.43 H new ATOM 0 HB3 GLU A 98 6.834 -15.282 5.680 1.00 64.43 H new ATOM 0 HG2 GLU A 98 4.882 -15.099 3.864 1.00 51.21 H new ATOM 0 HG3 GLU A 98 6.234 -15.038 2.751 1.00 51.21 H new ATOM 1579 N GLY A 99 8.270 -12.037 5.311 1.00 23.52 N ATOM 1580 CA GLY A 99 9.317 -11.284 5.977 1.00 61.25 C ATOM 1581 C GLY A 99 8.797 -10.017 6.625 1.00 53.54 C ATOM 1582 O GLY A 99 9.262 -9.622 7.694 1.00 74.14 O ATOM 0 H GLY A 99 8.403 -12.160 4.307 1.00 23.52 H new ATOM 0 HA2 GLY A 99 9.785 -11.911 6.736 1.00 61.25 H new ATOM 0 HA3 GLY A 99 10.092 -11.027 5.254 1.00 61.25 H new ATOM 1586 N ALA A 100 7.830 -9.376 5.976 1.00 42.35 N ATOM 1587 CA ALA A 100 7.246 -8.146 6.495 1.00 2.45 C ATOM 1588 C ALA A 100 6.412 -8.418 7.742 1.00 31.25 C ATOM 1589 O ALA A 100 6.388 -7.614 8.675 1.00 64.33 O ATOM 1590 CB ALA A 100 6.398 -7.472 5.427 1.00 13.54 C ATOM 0 H ALA A 100 7.435 -9.689 5.089 1.00 42.35 H new ATOM 0 HA ALA A 100 8.060 -7.476 6.773 1.00 2.45 H new ATOM 0 HB1 ALA A 100 5.968 -6.555 5.829 1.00 13.54 H new ATOM 0 HB2 ALA A 100 7.021 -7.234 4.565 1.00 13.54 H new ATOM 0 HB3 ALA A 100 5.597 -8.144 5.121 1.00 13.54 H new ATOM 1596 N LYS A 101 5.727 -9.557 7.753 1.00 0.21 N ATOM 1597 CA LYS A 101 4.891 -9.937 8.886 1.00 41.23 C ATOM 1598 C LYS A 101 5.734 -10.139 10.141 1.00 62.34 C ATOM 1599 O LYS A 101 5.300 -9.824 11.248 1.00 75.50 O ATOM 1600 CB LYS A 101 4.116 -11.217 8.567 1.00 61.41 C ATOM 1601 CG LYS A 101 2.722 -11.250 9.168 1.00 32.24 C ATOM 1602 CD LYS A 101 2.741 -11.781 10.592 1.00 10.11 C ATOM 1603 CE LYS A 101 2.929 -13.290 10.622 1.00 44.11 C ATOM 1604 NZ LYS A 101 1.861 -13.967 11.408 1.00 53.13 N ATOM 0 H LYS A 101 5.734 -10.233 6.989 1.00 0.21 H new ATOM 0 HA LYS A 101 4.184 -9.128 9.072 1.00 41.23 H new ATOM 0 HB2 LYS A 101 4.039 -11.325 7.485 1.00 61.41 H new ATOM 0 HB3 LYS A 101 4.681 -12.074 8.933 1.00 61.41 H new ATOM 0 HG2 LYS A 101 2.297 -10.246 9.159 1.00 32.24 H new ATOM 0 HG3 LYS A 101 2.075 -11.876 8.554 1.00 32.24 H new ATOM 0 HD2 LYS A 101 3.546 -11.302 11.149 1.00 10.11 H new ATOM 0 HD3 LYS A 101 1.808 -11.520 11.091 1.00 10.11 H new ATOM 0 HE2 LYS A 101 2.930 -13.676 9.603 1.00 44.11 H new ATOM 0 HE3 LYS A 101 3.902 -13.526 11.053 1.00 44.11 H new ATOM 0 HZ1 LYS A 101 2.025 -14.994 11.404 1.00 53.13 H new ATOM 0 HZ2 LYS A 101 1.876 -13.618 12.387 1.00 53.13 H new ATOM 0 HZ3 LYS A 101 0.934 -13.763 10.982 1.00 53.13 H new ATOM 1618 N GLN A 102 6.941 -10.665 9.959 1.00 63.05 N ATOM 1619 CA GLN A 102 7.845 -10.908 11.077 1.00 73.00 C ATOM 1620 C GLN A 102 8.332 -9.594 11.678 1.00 25.02 C ATOM 1621 O GLN A 102 8.232 -9.378 12.886 1.00 14.12 O ATOM 1622 CB GLN A 102 9.039 -11.749 10.622 1.00 12.20 C ATOM 1623 CG GLN A 102 9.687 -12.542 11.745 1.00 64.21 C ATOM 1624 CD GLN A 102 9.283 -14.003 11.736 1.00 22.22 C ATOM 1625 OE1 GLN A 102 8.493 -14.446 12.570 1.00 13.43 O ATOM 1626 NE2 GLN A 102 9.825 -14.762 10.790 1.00 14.13 N ATOM 0 H GLN A 102 7.315 -10.931 9.048 1.00 63.05 H new ATOM 0 HA GLN A 102 7.296 -11.455 11.843 1.00 73.00 H new ATOM 0 HB2 GLN A 102 8.712 -12.438 9.843 1.00 12.20 H new ATOM 0 HB3 GLN A 102 9.785 -11.093 10.174 1.00 12.20 H new ATOM 0 HG2 GLN A 102 10.771 -12.468 11.658 1.00 64.21 H new ATOM 0 HG3 GLN A 102 9.413 -12.099 12.703 1.00 64.21 H new ATOM 0 HE21 GLN A 102 10.475 -14.354 10.119 1.00 14.13 H new ATOM 0 HE22 GLN A 102 9.591 -15.753 10.735 1.00 14.13 H new ATOM 1635 N ILE A 103 8.861 -8.720 10.828 1.00 23.51 N ATOM 1636 CA ILE A 103 9.364 -7.428 11.276 1.00 11.30 C ATOM 1637 C ILE A 103 8.336 -6.708 12.142 1.00 34.33 C ATOM 1638 O ILE A 103 8.684 -6.063 13.131 1.00 15.13 O ATOM 1639 CB ILE A 103 9.737 -6.525 10.085 1.00 34.10 C ATOM 1640 CG1 ILE A 103 10.843 -7.175 9.251 1.00 34.11 C ATOM 1641 CG2 ILE A 103 10.173 -5.153 10.576 1.00 22.15 C ATOM 1642 CD1 ILE A 103 11.213 -6.383 8.017 1.00 60.24 C ATOM 0 H ILE A 103 8.952 -8.884 9.825 1.00 23.51 H new ATOM 0 HA ILE A 103 10.259 -7.626 11.866 1.00 11.30 H new ATOM 0 HB ILE A 103 8.857 -6.400 9.453 1.00 34.10 H new ATOM 0 HG12 ILE A 103 11.730 -7.300 9.872 1.00 34.11 H new ATOM 0 HG13 ILE A 103 10.522 -8.172 8.950 1.00 34.11 H new ATOM 0 HG21 ILE A 103 10.433 -4.527 9.723 1.00 22.15 H new ATOM 0 HG22 ILE A 103 9.358 -4.689 11.131 1.00 22.15 H new ATOM 0 HG23 ILE A 103 11.041 -5.258 11.227 1.00 22.15 H new ATOM 0 HD11 ILE A 103 12.003 -6.903 7.474 1.00 60.24 H new ATOM 0 HD12 ILE A 103 10.338 -6.280 7.375 1.00 60.24 H new ATOM 0 HD13 ILE A 103 11.565 -5.394 8.311 1.00 60.24 H new ATOM 1654 N VAL A 104 7.066 -6.825 11.765 1.00 64.20 N ATOM 1655 CA VAL A 104 5.986 -6.189 12.509 1.00 51.42 C ATOM 1656 C VAL A 104 5.719 -6.917 13.821 1.00 11.23 C ATOM 1657 O VAL A 104 5.620 -6.295 14.879 1.00 12.30 O ATOM 1658 CB VAL A 104 4.686 -6.146 11.684 1.00 33.31 C ATOM 1659 CG1 VAL A 104 3.558 -5.527 12.496 1.00 21.40 C ATOM 1660 CG2 VAL A 104 4.902 -5.381 10.387 1.00 24.04 C ATOM 0 H VAL A 104 6.761 -7.355 10.949 1.00 64.20 H new ATOM 0 HA VAL A 104 6.306 -5.169 12.722 1.00 51.42 H new ATOM 0 HB VAL A 104 4.402 -7.168 11.433 1.00 33.31 H new ATOM 0 HG11 VAL A 104 2.648 -5.505 11.897 1.00 21.40 H new ATOM 0 HG12 VAL A 104 3.387 -6.121 13.394 1.00 21.40 H new ATOM 0 HG13 VAL A 104 3.830 -4.510 12.780 1.00 21.40 H new ATOM 0 HG21 VAL A 104 3.973 -5.361 9.817 1.00 24.04 H new ATOM 0 HG22 VAL A 104 5.211 -4.360 10.614 1.00 24.04 H new ATOM 0 HG23 VAL A 104 5.677 -5.873 9.799 1.00 24.04 H new ATOM 1670 N ARG A 105 5.604 -8.239 13.745 1.00 13.45 N ATOM 1671 CA ARG A 105 5.347 -9.052 14.928 1.00 64.33 C ATOM 1672 C ARG A 105 6.369 -8.758 16.022 1.00 13.55 C ATOM 1673 O ARG A 105 6.005 -8.467 17.162 1.00 23.44 O ATOM 1674 CB ARG A 105 5.384 -10.539 14.568 1.00 43.31 C ATOM 1675 CG ARG A 105 5.261 -11.460 15.771 1.00 51.24 C ATOM 1676 CD ARG A 105 5.368 -12.922 15.366 1.00 52.30 C ATOM 1677 NE ARG A 105 4.545 -13.785 16.209 1.00 12.42 N ATOM 1678 CZ ARG A 105 3.219 -13.832 16.140 1.00 61.14 C ATOM 1679 NH1 ARG A 105 2.570 -13.070 15.270 1.00 71.41 N ATOM 1680 NH2 ARG A 105 2.540 -14.643 16.941 1.00 61.24 N ATOM 0 H ARG A 105 5.685 -8.769 12.878 1.00 13.45 H new ATOM 0 HA ARG A 105 4.355 -8.800 15.303 1.00 64.33 H new ATOM 0 HB2 ARG A 105 4.575 -10.756 13.871 1.00 43.31 H new ATOM 0 HB3 ARG A 105 6.318 -10.755 14.049 1.00 43.31 H new ATOM 0 HG2 ARG A 105 6.042 -11.223 16.493 1.00 51.24 H new ATOM 0 HG3 ARG A 105 4.306 -11.287 16.267 1.00 51.24 H new ATOM 0 HD2 ARG A 105 5.062 -13.033 14.326 1.00 52.30 H new ATOM 0 HD3 ARG A 105 6.409 -13.240 15.428 1.00 52.30 H new ATOM 0 HE ARG A 105 5.014 -14.385 16.888 1.00 12.42 H new ATOM 0 HH11 ARG A 105 3.089 -12.446 14.652 1.00 71.41 H new ATOM 0 HH12 ARG A 105 1.552 -13.108 15.219 1.00 71.41 H new ATOM 0 HH21 ARG A 105 3.036 -15.231 17.611 1.00 61.24 H new ATOM 0 HH22 ARG A 105 1.522 -14.678 16.887 1.00 61.24 H new ATOM 1694 N ARG A 106 7.647 -8.835 15.668 1.00 43.40 N ATOM 1695 CA ARG A 106 8.721 -8.578 16.620 1.00 11.13 C ATOM 1696 C ARG A 106 8.539 -7.220 17.292 1.00 34.12 C ATOM 1697 O ARG A 106 8.788 -7.069 18.489 1.00 73.22 O ATOM 1698 CB ARG A 106 10.079 -8.633 15.918 1.00 53.03 C ATOM 1699 CG ARG A 106 11.259 -8.676 16.875 1.00 55.31 C ATOM 1700 CD ARG A 106 11.982 -7.339 16.927 1.00 31.15 C ATOM 1701 NE ARG A 106 13.213 -7.413 17.710 1.00 72.40 N ATOM 1702 CZ ARG A 106 14.157 -6.479 17.685 1.00 33.04 C ATOM 1703 NH1 ARG A 106 14.011 -5.405 16.922 1.00 41.20 N ATOM 1704 NH2 ARG A 106 15.249 -6.618 18.426 1.00 70.11 N ATOM 0 H ARG A 106 7.965 -9.073 14.728 1.00 43.40 H new ATOM 0 HA ARG A 106 8.685 -9.352 17.387 1.00 11.13 H new ATOM 0 HB2 ARG A 106 10.111 -9.513 15.276 1.00 53.03 H new ATOM 0 HB3 ARG A 106 10.179 -7.762 15.270 1.00 53.03 H new ATOM 0 HG2 ARG A 106 10.910 -8.941 17.873 1.00 55.31 H new ATOM 0 HG3 ARG A 106 11.954 -9.455 16.563 1.00 55.31 H new ATOM 0 HD2 ARG A 106 12.216 -7.014 15.913 1.00 31.15 H new ATOM 0 HD3 ARG A 106 11.322 -6.587 17.359 1.00 31.15 H new ATOM 0 HE ARG A 106 13.355 -8.226 18.309 1.00 72.40 H new ATOM 0 HH11 ARG A 106 13.172 -5.294 16.352 1.00 41.20 H new ATOM 0 HH12 ARG A 106 14.737 -4.689 16.905 1.00 41.20 H new ATOM 0 HH21 ARG A 106 15.364 -7.443 19.015 1.00 70.11 H new ATOM 0 HH22 ARG A 106 15.974 -5.900 18.406 1.00 70.11 H new ATOM 1718 N HIS A 107 8.103 -6.234 16.514 1.00 31.22 N ATOM 1719 CA HIS A 107 7.887 -4.888 17.033 1.00 12.13 C ATOM 1720 C HIS A 107 6.688 -4.857 17.977 1.00 54.43 C ATOM 1721 O HIS A 107 6.642 -3.946 18.805 1.00 51.23 O ATOM 1722 CB HIS A 107 7.671 -3.903 15.884 1.00 62.13 C ATOM 1723 CG HIS A 107 8.921 -3.593 15.119 1.00 44.02 C ATOM 1724 ND1 HIS A 107 10.177 -3.610 15.689 1.00 15.21 N ATOM 1725 CD2 HIS A 107 9.105 -3.258 13.820 1.00 13.54 C ATOM 1726 CE1 HIS A 107 11.077 -3.297 14.775 1.00 63.43 C ATOM 1727 NE2 HIS A 107 10.452 -3.080 13.631 1.00 4.44 N ATOM 0 H HIS A 107 7.892 -6.342 15.522 1.00 31.22 H new ATOM 0 HA HIS A 107 8.776 -4.593 17.591 1.00 12.13 H new ATOM 0 HB2 HIS A 107 6.928 -4.313 15.200 1.00 62.13 H new ATOM 0 HB3 HIS A 107 7.260 -2.976 16.283 1.00 62.13 H new ATOM 0 HD2 HIS A 107 8.334 -3.151 13.071 1.00 13.54 H new ATOM 0 HE1 HIS A 107 12.143 -3.230 14.935 1.00 63.43 H new ATOM 0 HE2 HIS A 107 10.898 -2.822 12.751 1.00 4.44 H new ATOM 1735 N LEU A 108 5.750 -5.792 17.879 1.00 55.04 N ATOM 1736 CA LEU A 108 4.585 -5.803 18.758 1.00 65.32 C ATOM 1737 C LEU A 108 4.906 -6.501 20.076 1.00 14.51 C ATOM 1738 O LEU A 108 4.590 -5.992 21.152 1.00 21.21 O ATOM 1739 CB LEU A 108 3.410 -6.501 18.071 1.00 11.22 C ATOM 1740 CG LEU A 108 2.847 -5.804 16.832 1.00 70.01 C ATOM 1741 CD1 LEU A 108 2.030 -6.778 15.997 1.00 44.13 C ATOM 1742 CD2 LEU A 108 2.002 -4.603 17.233 1.00 61.54 C ATOM 0 H LEU A 108 5.773 -6.553 17.200 1.00 55.04 H new ATOM 0 HA LEU A 108 4.311 -4.770 18.972 1.00 65.32 H new ATOM 0 HB2 LEU A 108 3.725 -7.505 17.787 1.00 11.22 H new ATOM 0 HB3 LEU A 108 2.605 -6.614 18.797 1.00 11.22 H new ATOM 0 HG LEU A 108 3.682 -5.450 16.227 1.00 70.01 H new ATOM 0 HD11 LEU A 108 1.637 -6.264 15.119 1.00 44.13 H new ATOM 0 HD12 LEU A 108 2.664 -7.606 15.679 1.00 44.13 H new ATOM 0 HD13 LEU A 108 1.202 -7.163 16.593 1.00 44.13 H new ATOM 0 HD21 LEU A 108 1.610 -4.119 16.339 1.00 61.54 H new ATOM 0 HD22 LEU A 108 1.174 -4.934 17.860 1.00 61.54 H new ATOM 0 HD23 LEU A 108 2.617 -3.895 17.788 1.00 61.54 H new