USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 788 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 62 TYR OH : rot 180:sc= -0.0178 USER MOD Set 1.2: A 63 MET CE :methyl -175:sc= -1.21 (180deg=-1.12) USER MOD Set 2.1: A 26 GLN : amide:sc= -4.8! X(o=-4!,f=-4.1) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -175:sc= 0.81 (180deg=0) USER MOD Set 2.3: A 30 TYR OH : rot 108:sc= 0.0141 USER MOD Set 3.1: A 11 SER OG : rot -3:sc= -6.11! USER MOD Set 3.2: A 59 GLN : amide:sc= -3.33! C(o=-9.4!,f=-12!) USER MOD Set 4.1: A 10 SER OG : rot 35:sc= 1 USER MOD Set 4.2: A 84 TYR OH : rot 180:sc= 0.419 USER MOD Set 5.1: A 5 HIS : no HD1:sc= -9.43! C(o=-9.2!,f=-9!) USER MOD Set 5.2: A 7 TYR OH : rot 69:sc= 0.188 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -74:sc= -0.381 USER MOD Single : A 16 THR OG1 : rot -85:sc= 0.593 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 140:sc= -2.59! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 145:sc= -4.18 (180deg=-6.99!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.607 K(o=-0.61,f=-0.033) USER MOD Single : A 50 ASN : amide:sc= 1.11 K(o=1.1,f=-0.23) USER MOD Single : A 68 GLN : amide:sc= -2.13 K(o=-2.1,f=-3.5!) USER MOD Single : A 73 ASN : amide:sc= -0.663 X(o=-0.66,f=-0.66) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N LYS A 4 5.191 10.598 5.526 1.00 0.00 N ATOM 56 CA LYS A 4 3.875 10.113 5.083 1.00 0.00 C ATOM 57 C LYS A 4 3.858 8.572 4.906 1.00 0.00 C ATOM 58 O LYS A 4 4.866 7.957 4.619 1.00 0.00 O ATOM 59 CB LYS A 4 3.399 10.792 3.800 1.00 0.00 C ATOM 60 CG LYS A 4 2.811 12.187 4.092 1.00 0.00 C ATOM 61 CD LYS A 4 1.767 12.219 5.219 1.00 0.00 C ATOM 62 CE LYS A 4 0.769 13.374 4.962 1.00 0.00 C ATOM 63 NZ LYS A 4 1.224 14.589 5.693 1.00 0.00 N ATOM 0 HA LYS A 4 3.178 10.380 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.232 10.884 3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.646 10.171 3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.626 12.863 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.354 12.572 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.236 11.268 5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.259 12.356 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.702 13.582 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.229 13.088 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.556 15.367 5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.266 14.386 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.169 14.864 5.356 1.00 0.00 H new ATOM 77 N HIS A 5 2.647 8.011 5.136 1.00 0.00 N ATOM 78 CA HIS A 5 2.368 6.569 5.169 1.00 0.00 C ATOM 79 C HIS A 5 1.811 6.018 3.839 1.00 0.00 C ATOM 80 O HIS A 5 0.745 6.416 3.369 1.00 0.00 O ATOM 81 CB HIS A 5 1.366 6.290 6.334 1.00 0.00 C ATOM 82 CG HIS A 5 1.817 6.973 7.628 1.00 0.00 C ATOM 83 ND1 HIS A 5 1.074 7.302 8.693 1.00 0.00 N ATOM 84 CD2 HIS A 5 3.053 7.494 7.824 1.00 0.00 C ATOM 85 CE1 HIS A 5 1.853 7.993 9.569 1.00 0.00 C ATOM 86 NE2 HIS A 5 3.050 8.153 8.968 1.00 0.00 N ATOM 0 H HIS A 5 1.815 8.575 5.309 1.00 0.00 H new ATOM 0 HA HIS A 5 3.313 6.050 5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.374 6.648 6.058 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.283 5.215 6.497 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.896 7.388 7.158 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.569 8.344 10.550 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.829 8.697 9.339 1.00 0.00 H new ATOM 94 N ILE A 6 2.545 5.017 3.297 1.00 0.00 N ATOM 95 CA ILE A 6 2.069 3.962 2.366 1.00 0.00 C ATOM 96 C ILE A 6 1.529 2.773 3.120 1.00 0.00 C ATOM 97 O ILE A 6 2.266 1.871 3.571 1.00 0.00 O ATOM 98 CB ILE A 6 3.145 3.625 1.308 1.00 0.00 C ATOM 99 CG1 ILE A 6 3.366 4.813 0.327 1.00 0.00 C ATOM 100 CG2 ILE A 6 2.903 2.269 0.629 1.00 0.00 C ATOM 101 CD1 ILE A 6 4.848 5.163 0.055 1.00 0.00 C ATOM 0 H ILE A 6 3.538 4.917 3.508 1.00 0.00 H new ATOM 0 HA ILE A 6 1.222 4.343 1.796 1.00 0.00 H new ATOM 0 HB ILE A 6 4.095 3.494 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.883 4.577 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.867 5.695 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.688 2.084 -0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.914 1.479 1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.935 2.280 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.902 6.002 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.336 5.434 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.352 4.300 -0.379 1.00 0.00 H new ATOM 113 N TYR A 7 0.179 2.713 3.308 1.00 0.00 N ATOM 114 CA TYR A 7 -0.636 1.582 3.624 1.00 0.00 C ATOM 115 C TYR A 7 -1.101 0.814 2.378 1.00 0.00 C ATOM 116 O TYR A 7 -1.358 1.373 1.301 1.00 0.00 O ATOM 117 CB TYR A 7 -1.816 1.933 4.547 1.00 0.00 C ATOM 118 CG TYR A 7 -1.446 2.657 5.852 1.00 0.00 C ATOM 119 CD1 TYR A 7 -0.146 2.573 6.345 1.00 0.00 C ATOM 120 CD2 TYR A 7 -2.462 3.364 6.505 1.00 0.00 C ATOM 121 CE1 TYR A 7 0.194 3.333 7.511 1.00 0.00 C ATOM 122 CE2 TYR A 7 -2.205 3.867 7.800 1.00 0.00 C ATOM 123 CZ TYR A 7 -0.853 3.903 8.235 1.00 0.00 C ATOM 124 OH TYR A 7 -0.579 4.544 9.416 1.00 0.00 O ATOM 0 H TYR A 7 -0.387 3.557 3.226 1.00 0.00 H new ATOM 0 HA TYR A 7 0.012 0.908 4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.515 2.558 3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.343 1.013 4.800 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.589 1.949 5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.419 3.521 6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.222 3.460 7.818 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.007 4.212 8.436 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.085 5.370 9.233 1.00 0.00 H new ATOM 134 N LEU A 8 -1.153 -0.542 2.601 1.00 0.00 N ATOM 135 CA LEU A 8 -1.470 -1.524 1.525 1.00 0.00 C ATOM 136 C LEU A 8 -2.205 -2.692 2.257 1.00 0.00 C ATOM 137 O LEU A 8 -1.742 -3.106 3.318 1.00 0.00 O ATOM 138 CB LEU A 8 -0.065 -2.023 1.084 1.00 0.00 C ATOM 139 CG LEU A 8 0.057 -3.526 0.639 1.00 0.00 C ATOM 140 CD1 LEU A 8 1.246 -3.816 -0.291 1.00 0.00 C ATOM 141 CD2 LEU A 8 -0.061 -4.465 1.849 1.00 0.00 C ATOM 0 H LEU A 8 -0.980 -0.968 3.511 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.063 -1.147 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.271 -1.398 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.627 -1.858 1.910 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.797 -3.741 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.256 -4.875 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.151 -3.222 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.176 -3.557 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.026 -5.499 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.735 -4.244 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.028 -4.319 2.330 1.00 0.00 H new ATOM 153 N PHE A 9 -3.358 -3.128 1.720 1.00 0.00 N ATOM 154 CA PHE A 9 -4.429 -3.887 2.395 1.00 0.00 C ATOM 155 C PHE A 9 -4.635 -5.233 1.780 1.00 0.00 C ATOM 156 O PHE A 9 -5.039 -5.342 0.623 1.00 0.00 O ATOM 157 CB PHE A 9 -5.654 -2.957 2.507 1.00 0.00 C ATOM 158 CG PHE A 9 -5.496 -1.714 3.426 1.00 0.00 C ATOM 159 CD1 PHE A 9 -5.756 -1.861 4.794 1.00 0.00 C ATOM 160 CD2 PHE A 9 -5.162 -0.458 2.890 1.00 0.00 C ATOM 161 CE1 PHE A 9 -5.436 -0.805 5.664 1.00 0.00 C ATOM 162 CE2 PHE A 9 -5.070 0.652 3.740 1.00 0.00 C ATOM 163 CZ PHE A 9 -4.981 0.426 5.111 1.00 0.00 C ATOM 0 H PHE A 9 -3.582 -2.949 0.741 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.164 -4.164 3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.913 -2.611 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.497 -3.545 2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.195 -2.771 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.978 -0.350 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.533 -0.925 6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.068 1.656 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.566 1.186 5.757 1.00 0.00 H new ATOM 173 N SER A 10 -4.179 -6.352 2.437 1.00 0.00 N ATOM 174 CA SER A 10 -3.713 -7.595 1.793 1.00 0.00 C ATOM 175 C SER A 10 -4.479 -7.978 0.559 1.00 0.00 C ATOM 176 O SER A 10 -4.288 -7.429 -0.544 1.00 0.00 O ATOM 177 CB SER A 10 -3.750 -8.723 2.865 1.00 0.00 C ATOM 178 OG SER A 10 -3.331 -9.955 2.312 1.00 0.00 O ATOM 0 H SER A 10 -4.131 -6.398 3.455 1.00 0.00 H new ATOM 0 HA SER A 10 -2.698 -7.431 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.105 -8.457 3.702 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.761 -8.822 3.261 1.00 0.00 H new ATOM 0 HG SER A 10 -2.630 -9.793 1.646 1.00 0.00 H new ATOM 184 N SER A 11 -5.429 -8.938 0.739 1.00 0.00 N ATOM 185 CA SER A 11 -6.101 -9.689 -0.314 1.00 0.00 C ATOM 186 C SER A 11 -6.048 -11.217 -0.118 1.00 0.00 C ATOM 187 O SER A 11 -6.878 -11.970 -0.643 1.00 0.00 O ATOM 188 CB SER A 11 -5.670 -9.304 -1.689 1.00 0.00 C ATOM 189 OG SER A 11 -6.660 -9.645 -2.707 1.00 0.00 O ATOM 0 H SER A 11 -5.748 -9.207 1.670 1.00 0.00 H new ATOM 0 HA SER A 11 -7.147 -9.398 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.480 -8.231 -1.718 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.729 -9.801 -1.923 1.00 0.00 H new ATOM 0 HG SER A 11 -7.411 -10.114 -2.288 1.00 0.00 H new ATOM 195 N ALA A 12 -5.060 -11.689 0.665 1.00 0.00 N ATOM 196 CA ALA A 12 -4.863 -13.052 1.143 1.00 0.00 C ATOM 197 C ALA A 12 -3.749 -13.147 2.205 1.00 0.00 C ATOM 198 O ALA A 12 -2.732 -13.830 1.992 1.00 0.00 O ATOM 199 CB ALA A 12 -4.556 -14.036 0.012 1.00 0.00 C ATOM 0 H ALA A 12 -4.324 -11.068 1.002 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.813 -13.330 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.419 -15.035 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.385 -14.047 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.645 -13.728 -0.501 1.00 0.00 H new ATOM 205 N GLY A 13 -3.941 -12.435 3.320 1.00 0.00 N ATOM 206 CA GLY A 13 -3.078 -12.530 4.530 1.00 0.00 C ATOM 207 C GLY A 13 -1.600 -12.201 4.231 1.00 0.00 C ATOM 208 O GLY A 13 -1.234 -11.038 4.159 1.00 0.00 O ATOM 0 H GLY A 13 -4.704 -11.766 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.451 -11.847 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.146 -13.537 4.943 1.00 0.00 H new ATOM 212 N MET A 14 -0.786 -13.288 4.081 1.00 0.00 N ATOM 213 CA MET A 14 0.671 -13.240 4.058 1.00 0.00 C ATOM 214 C MET A 14 1.268 -13.228 2.630 1.00 0.00 C ATOM 215 O MET A 14 1.836 -14.193 2.149 1.00 0.00 O ATOM 216 CB MET A 14 1.237 -14.470 4.836 1.00 0.00 C ATOM 217 CG MET A 14 1.320 -14.211 6.313 1.00 0.00 C ATOM 218 SD MET A 14 2.800 -14.953 7.180 1.00 0.00 S ATOM 219 CE MET A 14 1.978 -16.190 8.173 1.00 0.00 C ATOM 0 H MET A 14 -1.154 -14.233 3.972 1.00 0.00 H new ATOM 0 HA MET A 14 0.961 -12.301 4.530 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.602 -15.337 4.655 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.228 -14.716 4.455 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.329 -13.133 6.475 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.415 -14.596 6.783 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.717 -16.734 8.761 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.267 -15.706 8.842 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.448 -16.886 7.522 1.00 0.00 H new ATOM 229 N SER A 15 1.043 -12.097 1.940 1.00 0.00 N ATOM 230 CA SER A 15 1.880 -11.594 0.842 1.00 0.00 C ATOM 231 C SER A 15 2.091 -10.059 0.969 1.00 0.00 C ATOM 232 O SER A 15 2.523 -9.368 0.037 1.00 0.00 O ATOM 233 CB SER A 15 1.207 -11.914 -0.480 1.00 0.00 C ATOM 234 OG SER A 15 1.903 -11.270 -1.590 1.00 0.00 O ATOM 0 H SER A 15 0.248 -11.490 2.139 1.00 0.00 H new ATOM 0 HA SER A 15 2.856 -12.077 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.192 -12.993 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.169 -11.581 -0.454 1.00 0.00 H new ATOM 0 HG SER A 15 1.703 -10.311 -1.589 1.00 0.00 H new ATOM 240 N THR A 16 1.841 -9.566 2.209 1.00 0.00 N ATOM 241 CA THR A 16 1.791 -8.150 2.637 1.00 0.00 C ATOM 242 C THR A 16 3.060 -7.760 3.424 1.00 0.00 C ATOM 243 O THR A 16 3.946 -7.081 2.935 1.00 0.00 O ATOM 244 CB THR A 16 0.598 -7.854 3.578 1.00 0.00 C ATOM 245 OG1 THR A 16 0.130 -9.065 4.221 1.00 0.00 O ATOM 246 CG2 THR A 16 -0.497 -7.021 2.942 1.00 0.00 C ATOM 0 H THR A 16 1.656 -10.196 2.990 1.00 0.00 H new ATOM 0 HA THR A 16 1.696 -7.579 1.714 1.00 0.00 H new ATOM 0 HB THR A 16 0.971 -7.206 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.502 -9.526 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.296 -6.857 3.665 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.088 -6.060 2.629 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.895 -7.546 2.074 1.00 0.00 H new ATOM 254 N SER A 17 3.044 -8.148 4.718 1.00 0.00 N ATOM 255 CA SER A 17 3.906 -7.566 5.789 1.00 0.00 C ATOM 256 C SER A 17 5.380 -7.457 5.390 1.00 0.00 C ATOM 257 O SER A 17 6.040 -6.426 5.624 1.00 0.00 O ATOM 258 CB SER A 17 3.755 -8.389 7.066 1.00 0.00 C ATOM 259 OG SER A 17 3.823 -9.815 6.767 1.00 0.00 O ATOM 0 H SER A 17 2.426 -8.884 5.060 1.00 0.00 H new ATOM 0 HA SER A 17 3.565 -6.545 5.958 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.541 -8.122 7.773 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.804 -8.157 7.545 1.00 0.00 H new ATOM 0 HG SER A 17 3.726 -10.328 7.596 1.00 0.00 H new ATOM 265 N LEU A 18 5.906 -8.527 4.736 1.00 0.00 N ATOM 266 CA LEU A 18 7.328 -8.699 4.350 1.00 0.00 C ATOM 267 C LEU A 18 7.605 -7.888 3.084 1.00 0.00 C ATOM 268 O LEU A 18 8.793 -7.774 2.690 1.00 0.00 O ATOM 269 CB LEU A 18 7.529 -10.193 4.114 1.00 0.00 C ATOM 270 CG LEU A 18 8.936 -10.748 3.867 1.00 0.00 C ATOM 271 CD1 LEU A 18 9.218 -11.138 2.384 1.00 0.00 C ATOM 272 CD2 LEU A 18 10.042 -9.829 4.439 1.00 0.00 C ATOM 0 H LEU A 18 5.329 -9.320 4.454 1.00 0.00 H new ATOM 0 HA LEU A 18 8.015 -8.345 5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.122 -10.715 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.916 -10.471 3.257 1.00 0.00 H new ATOM 0 HG LEU A 18 8.966 -11.684 4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.234 -11.521 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.512 -11.906 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.105 -10.259 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.019 -10.267 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.980 -8.848 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.907 -9.723 5.515 1.00 0.00 H new ATOM 284 N LEU A 19 6.580 -7.405 2.396 1.00 0.00 N ATOM 285 CA LEU A 19 6.632 -6.573 1.144 1.00 0.00 C ATOM 286 C LEU A 19 6.660 -5.096 1.560 1.00 0.00 C ATOM 287 O LEU A 19 7.206 -4.260 0.832 1.00 0.00 O ATOM 288 CB LEU A 19 5.313 -6.936 0.426 1.00 0.00 C ATOM 289 CG LEU A 19 4.461 -5.808 -0.199 1.00 0.00 C ATOM 290 CD1 LEU A 19 5.285 -4.844 -1.066 1.00 0.00 C ATOM 291 CD2 LEU A 19 3.279 -6.454 -1.033 1.00 0.00 C ATOM 0 H LEU A 19 5.620 -7.579 2.693 1.00 0.00 H new ATOM 0 HA LEU A 19 7.499 -6.747 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.555 -7.643 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.684 -7.464 1.142 1.00 0.00 H new ATOM 0 HG LEU A 19 4.057 -5.204 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.631 -4.075 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.058 -4.376 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.752 -5.397 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.673 -5.664 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.692 -7.082 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.658 -7.061 -0.374 1.00 0.00 H new ATOM 303 N VAL A 20 6.010 -4.713 2.687 1.00 0.00 N ATOM 304 CA VAL A 20 6.059 -3.425 3.358 1.00 0.00 C ATOM 305 C VAL A 20 7.256 -3.404 4.356 1.00 0.00 C ATOM 306 O VAL A 20 7.548 -2.386 4.967 1.00 0.00 O ATOM 307 CB VAL A 20 4.691 -3.281 4.157 1.00 0.00 C ATOM 308 CG1 VAL A 20 4.747 -2.443 5.414 1.00 0.00 C ATOM 309 CG2 VAL A 20 3.578 -2.886 3.179 1.00 0.00 C ATOM 0 H VAL A 20 5.393 -5.362 3.176 1.00 0.00 H new ATOM 0 HA VAL A 20 6.190 -2.609 2.648 1.00 0.00 H new ATOM 0 HB VAL A 20 4.459 -4.260 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.760 -2.414 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.461 -2.880 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.060 -1.430 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.637 -2.786 3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.829 -1.936 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.476 -3.655 2.414 1.00 0.00 H new ATOM 319 N SER A 21 7.836 -4.644 4.574 1.00 0.00 N ATOM 320 CA SER A 21 8.849 -4.859 5.636 1.00 0.00 C ATOM 321 C SER A 21 10.286 -4.896 5.076 1.00 0.00 C ATOM 322 O SER A 21 11.235 -4.463 5.722 1.00 0.00 O ATOM 323 CB SER A 21 8.586 -6.196 6.357 1.00 0.00 C ATOM 324 OG SER A 21 9.504 -7.230 5.867 1.00 0.00 O ATOM 0 H SER A 21 7.613 -5.479 4.032 1.00 0.00 H new ATOM 0 HA SER A 21 8.761 -4.018 6.324 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.713 -6.068 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.555 -6.509 6.193 1.00 0.00 H new ATOM 0 HG SER A 21 9.809 -7.780 6.619 1.00 0.00 H new ATOM 330 N LYS A 22 10.362 -5.392 3.816 1.00 0.00 N ATOM 331 CA LYS A 22 11.590 -5.222 2.978 1.00 0.00 C ATOM 332 C LYS A 22 11.582 -3.825 2.299 1.00 0.00 C ATOM 333 O LYS A 22 12.628 -3.173 2.131 1.00 0.00 O ATOM 334 CB LYS A 22 11.675 -6.337 1.897 1.00 0.00 C ATOM 335 CG LYS A 22 12.743 -5.966 0.856 1.00 0.00 C ATOM 336 CD LYS A 22 13.014 -6.855 -0.305 1.00 0.00 C ATOM 337 CE LYS A 22 11.838 -7.694 -0.745 1.00 0.00 C ATOM 338 NZ LYS A 22 12.196 -9.165 -0.766 1.00 0.00 N ATOM 0 H LYS A 22 9.607 -5.904 3.359 1.00 0.00 H new ATOM 0 HA LYS A 22 12.463 -5.300 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.923 -7.291 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.707 -6.461 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.474 -4.989 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.684 -5.843 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.341 -6.243 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.842 -7.518 -0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.998 -7.531 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.515 -7.381 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.371 -9.719 -1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.982 -9.321 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.481 -9.467 0.188 1.00 0.00 H new ATOM 352 N MET A 23 10.390 -3.411 1.844 1.00 0.00 N ATOM 353 CA MET A 23 10.068 -2.034 1.467 1.00 0.00 C ATOM 354 C MET A 23 10.599 -1.025 2.507 1.00 0.00 C ATOM 355 O MET A 23 11.250 -0.031 2.148 1.00 0.00 O ATOM 356 CB MET A 23 8.562 -1.821 1.284 1.00 0.00 C ATOM 357 CG MET A 23 8.196 -1.937 -0.217 1.00 0.00 C ATOM 358 SD MET A 23 6.955 -0.696 -0.752 1.00 0.00 S ATOM 359 CE MET A 23 5.455 -1.398 -0.085 1.00 0.00 C ATOM 0 H MET A 23 9.602 -4.048 1.726 1.00 0.00 H new ATOM 0 HA MET A 23 10.561 -1.860 0.511 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.008 -2.561 1.861 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.275 -0.840 1.663 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.100 -1.820 -0.815 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.810 -2.937 -0.415 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.791 -0.597 0.240 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.958 -1.992 -0.853 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.698 -2.035 0.765 1.00 0.00 H new ATOM 369 N ARG A 24 10.270 -1.312 3.777 1.00 0.00 N ATOM 370 CA ARG A 24 10.897 -0.649 4.956 1.00 0.00 C ATOM 371 C ARG A 24 12.429 -0.804 4.933 1.00 0.00 C ATOM 372 O ARG A 24 13.166 0.122 5.159 1.00 0.00 O ATOM 373 CB ARG A 24 10.279 -1.136 6.250 1.00 0.00 C ATOM 374 CG ARG A 24 9.012 -0.296 6.657 1.00 0.00 C ATOM 375 CD ARG A 24 8.102 -1.141 7.589 1.00 0.00 C ATOM 376 NE ARG A 24 7.146 -0.252 8.268 1.00 0.00 N ATOM 377 CZ ARG A 24 6.883 -0.200 9.609 1.00 0.00 C ATOM 378 NH1 ARG A 24 7.370 -1.148 10.450 1.00 0.00 N ATOM 379 NH2 ARG A 24 6.250 0.844 10.137 1.00 0.00 N ATOM 0 H ARG A 24 9.565 -2.006 4.026 1.00 0.00 H new ATOM 0 HA ARG A 24 10.692 0.420 4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.999 -2.184 6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.020 -1.082 7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.318 0.619 7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.460 0.002 5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.568 -1.895 7.010 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.707 -1.673 8.323 1.00 0.00 H new ATOM 0 HE ARG A 24 6.624 0.394 7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.940 -1.911 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.166 -1.097 11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.955 1.617 9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.059 0.872 11.139 1.00 0.00 H new ATOM 393 N ALA A 25 12.862 -2.059 4.664 1.00 0.00 N ATOM 394 CA ALA A 25 14.239 -2.434 4.376 1.00 0.00 C ATOM 395 C ALA A 25 14.908 -1.453 3.360 1.00 0.00 C ATOM 396 O ALA A 25 16.026 -1.001 3.580 1.00 0.00 O ATOM 397 CB ALA A 25 14.397 -3.857 3.887 1.00 0.00 C ATOM 0 H ALA A 25 12.227 -2.857 4.645 1.00 0.00 H new ATOM 0 HA ALA A 25 14.751 -2.366 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.450 -4.061 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.027 -4.546 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.827 -3.991 2.967 1.00 0.00 H new ATOM 403 N GLN A 26 14.185 -1.214 2.247 1.00 0.00 N ATOM 404 CA GLN A 26 14.392 -0.047 1.348 1.00 0.00 C ATOM 405 C GLN A 26 14.444 1.246 2.236 1.00 0.00 C ATOM 406 O GLN A 26 15.453 1.917 2.313 1.00 0.00 O ATOM 407 CB GLN A 26 13.171 0.037 0.427 1.00 0.00 C ATOM 408 CG GLN A 26 13.086 -0.750 -0.818 1.00 0.00 C ATOM 409 CD GLN A 26 13.892 -2.023 -0.928 1.00 0.00 C ATOM 410 OE1 GLN A 26 15.013 -2.121 -1.475 1.00 0.00 O ATOM 411 NE2 GLN A 26 13.338 -3.164 -0.399 1.00 0.00 N ATOM 0 H GLN A 26 13.432 -1.829 1.939 1.00 0.00 H new ATOM 0 HA GLN A 26 15.311 -0.143 0.769 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.302 -0.229 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.057 1.084 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.039 -1.007 -0.975 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.382 -0.099 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.425 -3.125 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.839 -4.050 -0.460 1.00 0.00 H new ATOM 420 N ALA A 27 13.277 1.567 2.861 1.00 0.00 N ATOM 421 CA ALA A 27 13.021 2.879 3.501 1.00 0.00 C ATOM 422 C ALA A 27 14.032 3.199 4.572 1.00 0.00 C ATOM 423 O ALA A 27 14.297 4.402 4.909 1.00 0.00 O ATOM 424 CB ALA A 27 11.562 2.923 4.023 1.00 0.00 C ATOM 0 H ALA A 27 12.491 0.921 2.933 1.00 0.00 H new ATOM 0 HA ALA A 27 13.140 3.663 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.373 3.888 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.873 2.785 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.413 2.127 4.753 1.00 0.00 H new ATOM 430 N GLU A 28 14.652 2.211 5.147 1.00 0.00 N ATOM 431 CA GLU A 28 15.662 2.235 6.236 1.00 0.00 C ATOM 432 C GLU A 28 17.077 2.018 5.682 1.00 0.00 C ATOM 433 O GLU A 28 18.078 2.426 6.247 1.00 0.00 O ATOM 434 CB GLU A 28 15.277 0.936 7.091 1.00 0.00 C ATOM 435 CG GLU A 28 16.429 0.589 8.030 1.00 0.00 C ATOM 436 CD GLU A 28 16.712 1.566 9.163 1.00 0.00 C ATOM 437 OE1 GLU A 28 15.891 2.504 9.382 1.00 0.00 O ATOM 438 OE2 GLU A 28 17.779 1.384 9.804 1.00 0.00 O ATOM 0 H GLU A 28 14.462 1.253 4.854 1.00 0.00 H new ATOM 0 HA GLU A 28 15.660 3.178 6.782 1.00 0.00 H new ATOM 0 HB2 GLU A 28 14.369 1.120 7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.070 0.097 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.227 -0.389 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 28 17.335 0.490 7.433 1.00 0.00 H new ATOM 445 N LYS A 29 17.143 1.268 4.544 1.00 0.00 N ATOM 446 CA LYS A 29 18.315 1.266 3.636 1.00 0.00 C ATOM 447 C LYS A 29 18.680 2.743 3.234 1.00 0.00 C ATOM 448 O LYS A 29 19.839 3.083 3.130 1.00 0.00 O ATOM 449 CB LYS A 29 17.914 0.507 2.313 1.00 0.00 C ATOM 450 CG LYS A 29 19.200 0.209 1.529 1.00 0.00 C ATOM 451 CD LYS A 29 19.201 -0.970 0.592 1.00 0.00 C ATOM 452 CE LYS A 29 17.743 -1.216 0.068 1.00 0.00 C ATOM 453 NZ LYS A 29 17.759 -2.476 -0.733 1.00 0.00 N ATOM 0 H LYS A 29 16.388 0.654 4.237 1.00 0.00 H new ATOM 0 HA LYS A 29 19.158 0.790 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.388 -0.418 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.236 1.116 1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 29 19.450 1.097 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 29 20.004 0.063 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.874 -0.784 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 29 19.570 -1.858 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.046 -1.301 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.409 -0.378 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.825 -2.624 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.479 -2.404 -1.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.984 -3.279 -0.112 1.00 0.00 H new ATOM 467 N TYR A 30 17.600 3.493 2.934 1.00 0.00 N ATOM 468 CA TYR A 30 17.618 4.760 2.143 1.00 0.00 C ATOM 469 C TYR A 30 17.421 5.921 3.196 1.00 0.00 C ATOM 470 O TYR A 30 18.163 6.868 3.235 1.00 0.00 O ATOM 471 CB TYR A 30 16.385 4.769 1.178 1.00 0.00 C ATOM 472 CG TYR A 30 16.302 3.583 0.214 1.00 0.00 C ATOM 473 CD1 TYR A 30 17.534 3.016 -0.223 1.00 0.00 C ATOM 474 CD2 TYR A 30 15.076 3.060 -0.181 1.00 0.00 C ATOM 475 CE1 TYR A 30 17.467 2.011 -1.217 1.00 0.00 C ATOM 476 CE2 TYR A 30 15.041 2.171 -1.267 1.00 0.00 C ATOM 477 CZ TYR A 30 16.222 1.620 -1.723 1.00 0.00 C ATOM 478 OH TYR A 30 16.195 0.710 -2.739 1.00 0.00 O ATOM 0 H TYR A 30 16.662 3.235 3.239 1.00 0.00 H new ATOM 0 HA TYR A 30 18.537 4.867 1.567 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.475 4.793 1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.407 5.690 0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 30 18.479 3.340 0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.168 3.332 0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.372 1.548 -1.583 1.00 0.00 H new ATOM 0 HE2 TYR A 30 14.103 1.921 -1.740 1.00 0.00 H new ATOM 0 HH TYR A 30 15.866 -0.149 -2.400 1.00 0.00 H new ATOM 488 N GLU A 31 16.352 5.718 3.959 1.00 0.00 N ATOM 489 CA GLU A 31 15.832 6.679 4.971 1.00 0.00 C ATOM 490 C GLU A 31 14.622 7.469 4.445 1.00 0.00 C ATOM 491 O GLU A 31 14.305 8.552 4.970 1.00 0.00 O ATOM 492 CB GLU A 31 16.959 7.636 5.418 1.00 0.00 C ATOM 493 CG GLU A 31 16.567 8.489 6.613 1.00 0.00 C ATOM 494 CD GLU A 31 17.050 9.949 6.603 1.00 0.00 C ATOM 495 OE1 GLU A 31 18.038 10.219 5.881 1.00 0.00 O ATOM 496 OE2 GLU A 31 16.438 10.753 7.379 1.00 0.00 O ATOM 0 H GLU A 31 15.797 4.864 3.902 1.00 0.00 H new ATOM 0 HA GLU A 31 15.489 6.105 5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.846 7.054 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.229 8.286 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.480 8.490 6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.949 8.010 7.514 1.00 0.00 H new ATOM 503 N VAL A 32 14.033 7.010 3.321 1.00 0.00 N ATOM 504 CA VAL A 32 12.983 7.695 2.548 1.00 0.00 C ATOM 505 C VAL A 32 11.835 8.120 3.496 1.00 0.00 C ATOM 506 O VAL A 32 11.094 7.272 4.014 1.00 0.00 O ATOM 507 CB VAL A 32 12.526 6.752 1.414 1.00 0.00 C ATOM 508 CG1 VAL A 32 11.295 7.223 0.631 1.00 0.00 C ATOM 509 CG2 VAL A 32 13.667 6.295 0.498 1.00 0.00 C ATOM 0 H VAL A 32 14.290 6.112 2.912 1.00 0.00 H new ATOM 0 HA VAL A 32 13.354 8.611 2.088 1.00 0.00 H new ATOM 0 HB VAL A 32 12.186 5.865 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.054 6.493 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.449 7.324 1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.506 8.187 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 32 13.271 5.636 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.129 7.165 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.413 5.759 1.085 1.00 0.00 H new ATOM 519 N PRO A 33 11.743 9.431 3.768 1.00 0.00 N ATOM 520 CA PRO A 33 10.623 10.087 4.451 1.00 0.00 C ATOM 521 C PRO A 33 9.181 9.700 4.159 1.00 0.00 C ATOM 522 O PRO A 33 8.279 10.557 3.943 1.00 0.00 O ATOM 523 CB PRO A 33 10.894 11.587 4.251 1.00 0.00 C ATOM 524 CG PRO A 33 12.427 11.612 4.448 1.00 0.00 C ATOM 525 CD PRO A 33 12.906 10.372 3.671 1.00 0.00 C ATOM 0 HA PRO A 33 10.633 9.729 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.595 11.936 3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.370 12.206 4.980 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.868 12.528 4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.698 11.555 5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.142 10.614 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.807 9.945 4.112 1.00 0.00 H new ATOM 533 N VAL A 34 8.882 8.390 4.362 1.00 0.00 N ATOM 534 CA VAL A 34 7.539 7.842 4.446 1.00 0.00 C ATOM 535 C VAL A 34 7.499 6.634 5.406 1.00 0.00 C ATOM 536 O VAL A 34 8.522 6.193 5.914 1.00 0.00 O ATOM 537 CB VAL A 34 6.949 7.572 3.062 1.00 0.00 C ATOM 538 CG1 VAL A 34 6.776 8.804 2.180 1.00 0.00 C ATOM 539 CG2 VAL A 34 7.565 6.384 2.322 1.00 0.00 C ATOM 0 H VAL A 34 9.605 7.679 4.473 1.00 0.00 H new ATOM 0 HA VAL A 34 6.880 8.591 4.885 1.00 0.00 H new ATOM 0 HB VAL A 34 5.932 7.259 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.351 8.508 1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.107 9.511 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.746 9.274 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.083 6.271 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.632 6.557 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.420 5.476 2.907 1.00 0.00 H new ATOM 549 N ILE A 35 6.255 6.123 5.668 1.00 0.00 N ATOM 550 CA ILE A 35 5.937 4.927 6.446 1.00 0.00 C ATOM 551 C ILE A 35 4.956 4.020 5.689 1.00 0.00 C ATOM 552 O ILE A 35 3.760 4.312 5.543 1.00 0.00 O ATOM 553 CB ILE A 35 5.556 5.216 7.908 1.00 0.00 C ATOM 554 CG1 ILE A 35 6.197 6.493 8.470 1.00 0.00 C ATOM 555 CG2 ILE A 35 5.761 3.987 8.850 1.00 0.00 C ATOM 556 CD1 ILE A 35 5.542 7.098 9.707 1.00 0.00 C ATOM 0 H ILE A 35 5.414 6.577 5.312 1.00 0.00 H new ATOM 0 HA ILE A 35 6.859 4.355 6.549 1.00 0.00 H new ATOM 0 HB ILE A 35 4.483 5.409 7.883 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.238 6.275 8.708 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.201 7.247 7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.474 4.256 9.867 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.143 3.158 8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.809 3.688 8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.086 7.994 10.006 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.509 7.360 9.480 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.562 6.373 10.521 1.00 0.00 H new ATOM 568 N ILE A 36 5.480 2.890 5.195 1.00 0.00 N ATOM 569 CA ILE A 36 4.792 1.731 4.609 1.00 0.00 C ATOM 570 C ILE A 36 4.281 0.819 5.744 1.00 0.00 C ATOM 571 O ILE A 36 5.063 0.240 6.516 1.00 0.00 O ATOM 572 CB ILE A 36 5.881 0.965 3.710 1.00 0.00 C ATOM 573 CG1 ILE A 36 6.706 1.950 2.921 1.00 0.00 C ATOM 574 CG2 ILE A 36 5.226 -0.150 2.900 1.00 0.00 C ATOM 575 CD1 ILE A 36 8.203 2.095 3.190 1.00 0.00 C ATOM 0 H ILE A 36 6.491 2.751 5.196 1.00 0.00 H new ATOM 0 HA ILE A 36 3.934 2.025 4.004 1.00 0.00 H new ATOM 0 HB ILE A 36 6.602 0.451 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.591 1.695 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.257 2.933 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.982 -0.655 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.762 -0.867 3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.466 0.275 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.621 2.851 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.359 2.397 4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.699 1.141 3.012 1.00 0.00 H new ATOM 587 N GLU A 37 2.945 0.701 5.853 1.00 0.00 N ATOM 588 CA GLU A 37 2.259 -0.316 6.663 1.00 0.00 C ATOM 589 C GLU A 37 1.253 -1.155 5.854 1.00 0.00 C ATOM 590 O GLU A 37 0.525 -0.630 5.036 1.00 0.00 O ATOM 591 CB GLU A 37 1.596 0.280 7.903 1.00 0.00 C ATOM 592 CG GLU A 37 2.568 0.290 9.124 1.00 0.00 C ATOM 593 CD GLU A 37 3.093 -1.084 9.509 1.00 0.00 C ATOM 594 OE1 GLU A 37 2.513 -1.779 10.336 1.00 0.00 O ATOM 595 OE2 GLU A 37 4.201 -1.382 8.927 1.00 0.00 O ATOM 0 H GLU A 37 2.300 1.325 5.368 1.00 0.00 H new ATOM 0 HA GLU A 37 3.044 -0.995 6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.270 1.298 7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.704 -0.295 8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.413 0.940 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.053 0.724 9.981 1.00 0.00 H new ATOM 602 N ALA A 38 1.316 -2.486 6.052 1.00 0.00 N ATOM 603 CA ALA A 38 0.667 -3.526 5.222 1.00 0.00 C ATOM 604 C ALA A 38 -0.354 -4.342 6.001 1.00 0.00 C ATOM 605 O ALA A 38 -0.033 -5.076 6.940 1.00 0.00 O ATOM 606 CB ALA A 38 1.731 -4.471 4.609 1.00 0.00 C ATOM 0 H ALA A 38 1.843 -2.886 6.828 1.00 0.00 H new ATOM 0 HA ALA A 38 0.134 -3.005 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.237 -5.230 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.413 -3.894 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.292 -4.955 5.409 1.00 0.00 H new ATOM 612 N PHE A 39 -1.640 -4.166 5.632 1.00 0.00 N ATOM 613 CA PHE A 39 -2.859 -4.360 6.400 1.00 0.00 C ATOM 614 C PHE A 39 -3.713 -5.523 5.828 1.00 0.00 C ATOM 615 O PHE A 39 -3.472 -6.081 4.827 1.00 0.00 O ATOM 616 CB PHE A 39 -3.674 -3.028 6.351 1.00 0.00 C ATOM 617 CG PHE A 39 -3.312 -1.971 7.402 1.00 0.00 C ATOM 618 CD1 PHE A 39 -2.091 -1.285 7.285 1.00 0.00 C ATOM 619 CD2 PHE A 39 -4.223 -1.665 8.439 1.00 0.00 C ATOM 620 CE1 PHE A 39 -1.796 -0.234 8.142 1.00 0.00 C ATOM 621 CE2 PHE A 39 -3.897 -0.646 9.322 1.00 0.00 C ATOM 622 CZ PHE A 39 -2.626 -0.062 9.310 1.00 0.00 C ATOM 0 H PHE A 39 -1.858 -3.851 4.687 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.601 -4.622 7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.547 -2.585 5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.731 -3.270 6.459 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.380 -1.577 6.526 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.149 -2.211 8.541 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.971 0.434 7.941 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.636 -0.298 10.029 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.273 0.506 10.158 1.00 0.00 H new ATOM 632 N PRO A 40 -4.776 -5.856 6.642 1.00 0.00 N ATOM 633 CA PRO A 40 -6.030 -6.491 6.105 1.00 0.00 C ATOM 634 C PRO A 40 -7.147 -5.401 5.768 1.00 0.00 C ATOM 635 O PRO A 40 -7.723 -4.850 6.674 1.00 0.00 O ATOM 636 CB PRO A 40 -6.495 -7.387 7.240 1.00 0.00 C ATOM 637 CG PRO A 40 -6.051 -6.703 8.484 1.00 0.00 C ATOM 638 CD PRO A 40 -4.850 -5.780 8.087 1.00 0.00 C ATOM 0 HA PRO A 40 -5.850 -7.028 5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.578 -7.512 7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.058 -8.382 7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.863 -6.117 8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.748 -7.430 9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.014 -4.755 8.420 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.922 -6.120 8.548 1.00 0.00 H new ATOM 646 N GLU A 41 -7.424 -5.344 4.463 1.00 0.00 N ATOM 647 CA GLU A 41 -8.622 -4.744 3.879 1.00 0.00 C ATOM 648 C GLU A 41 -9.851 -4.948 4.826 1.00 0.00 C ATOM 649 O GLU A 41 -10.599 -5.877 4.674 1.00 0.00 O ATOM 650 CB GLU A 41 -8.955 -5.288 2.498 1.00 0.00 C ATOM 651 CG GLU A 41 -10.451 -4.883 2.115 1.00 0.00 C ATOM 652 CD GLU A 41 -10.801 -5.019 0.701 1.00 0.00 C ATOM 653 OE1 GLU A 41 -10.513 -4.096 -0.133 1.00 0.00 O ATOM 654 OE2 GLU A 41 -11.370 -6.108 0.275 1.00 0.00 O ATOM 0 H GLU A 41 -6.795 -5.730 3.759 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.404 -3.682 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.258 -4.889 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.846 -6.372 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.136 -5.496 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.616 -3.848 2.414 1.00 0.00 H new ATOM 661 N THR A 42 -9.920 -4.017 5.821 1.00 0.00 N ATOM 662 CA THR A 42 -10.973 -3.893 6.850 1.00 0.00 C ATOM 663 C THR A 42 -10.700 -2.743 7.822 1.00 0.00 C ATOM 664 O THR A 42 -11.656 -2.175 8.425 1.00 0.00 O ATOM 665 CB THR A 42 -11.226 -5.174 7.641 1.00 0.00 C ATOM 666 OG1 THR A 42 -11.468 -4.917 9.032 1.00 0.00 O ATOM 667 CG2 THR A 42 -10.138 -6.249 7.378 1.00 0.00 C ATOM 0 H THR A 42 -9.202 -3.300 5.924 1.00 0.00 H new ATOM 0 HA THR A 42 -11.877 -3.679 6.280 1.00 0.00 H new ATOM 0 HB THR A 42 -12.154 -5.607 7.267 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.626 -5.764 9.498 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.360 -7.142 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.126 -6.502 6.318 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.163 -5.858 7.669 1.00 0.00 H new ATOM 675 N LEU A 43 -9.410 -2.451 8.031 1.00 0.00 N ATOM 676 CA LEU A 43 -8.876 -1.355 8.907 1.00 0.00 C ATOM 677 C LEU A 43 -8.611 -0.130 7.990 1.00 0.00 C ATOM 678 O LEU A 43 -8.306 0.945 8.475 1.00 0.00 O ATOM 679 CB LEU A 43 -7.527 -1.883 9.434 1.00 0.00 C ATOM 680 CG LEU A 43 -7.395 -2.663 10.730 1.00 0.00 C ATOM 681 CD1 LEU A 43 -7.949 -4.080 10.719 1.00 0.00 C ATOM 682 CD2 LEU A 43 -5.856 -2.684 11.192 1.00 0.00 C ATOM 0 H LEU A 43 -8.664 -2.984 7.584 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.549 -1.078 9.719 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.114 -2.516 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.870 -1.018 9.525 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.024 -2.128 11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.798 -4.537 11.697 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.015 -4.052 10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.431 -4.667 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.763 -3.244 12.122 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.251 -3.159 10.420 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.509 -1.663 11.347 1.00 0.00 H new ATOM 694 N ALA A 44 -8.666 -0.374 6.656 1.00 0.00 N ATOM 695 CA ALA A 44 -8.120 0.612 5.649 1.00 0.00 C ATOM 696 C ALA A 44 -8.906 1.961 5.837 1.00 0.00 C ATOM 697 O ALA A 44 -8.315 3.020 5.792 1.00 0.00 O ATOM 698 CB ALA A 44 -8.319 0.103 4.254 1.00 0.00 C ATOM 0 H ALA A 44 -9.068 -1.217 6.246 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.051 0.756 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.920 0.826 3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.799 -0.848 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.383 -0.040 4.067 1.00 0.00 H new ATOM 704 N GLY A 45 -10.238 1.780 5.953 1.00 0.00 N ATOM 705 CA GLY A 45 -11.142 2.985 5.999 1.00 0.00 C ATOM 706 C GLY A 45 -10.479 4.091 6.858 1.00 0.00 C ATOM 707 O GLY A 45 -10.245 5.195 6.365 1.00 0.00 O ATOM 0 H GLY A 45 -10.706 0.876 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.327 3.354 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.109 2.712 6.421 1.00 0.00 H new ATOM 711 N GLU A 46 -10.183 3.739 8.111 1.00 0.00 N ATOM 712 CA GLU A 46 -9.532 4.591 9.109 1.00 0.00 C ATOM 713 C GLU A 46 -8.060 4.866 8.712 1.00 0.00 C ATOM 714 O GLU A 46 -7.521 5.918 9.070 1.00 0.00 O ATOM 715 CB GLU A 46 -9.588 4.005 10.505 1.00 0.00 C ATOM 716 CG GLU A 46 -10.590 2.857 10.681 1.00 0.00 C ATOM 717 CD GLU A 46 -11.160 2.643 12.085 1.00 0.00 C ATOM 718 OE1 GLU A 46 -10.651 3.205 13.097 1.00 0.00 O ATOM 719 OE2 GLU A 46 -12.155 1.888 12.167 1.00 0.00 O ATOM 0 H GLU A 46 -10.400 2.811 8.474 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.088 5.529 9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.594 3.646 10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.840 4.799 11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.423 3.027 9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.105 1.933 10.368 1.00 0.00 H new ATOM 726 N LYS A 47 -7.426 3.876 8.053 1.00 0.00 N ATOM 727 CA LYS A 47 -5.957 3.838 7.818 1.00 0.00 C ATOM 728 C LYS A 47 -5.580 4.536 6.472 1.00 0.00 C ATOM 729 O LYS A 47 -5.114 5.635 6.435 1.00 0.00 O ATOM 730 CB LYS A 47 -5.421 2.438 7.838 1.00 0.00 C ATOM 731 CG LYS A 47 -5.485 1.780 9.204 1.00 0.00 C ATOM 732 CD LYS A 47 -6.192 2.525 10.313 1.00 0.00 C ATOM 733 CE LYS A 47 -5.195 3.492 11.007 1.00 0.00 C ATOM 734 NZ LYS A 47 -5.627 3.742 12.390 1.00 0.00 N ATOM 0 H LYS A 47 -7.917 3.071 7.663 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.495 4.387 8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.983 1.833 7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.385 2.450 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.973 0.812 9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.463 1.585 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.036 3.084 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.596 1.820 11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.193 3.063 11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.142 4.432 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.957 4.390 12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.575 4.170 12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.655 2.843 12.913 1.00 0.00 H new ATOM 748 N GLY A 48 -5.761 3.712 5.395 1.00 0.00 N ATOM 749 CA GLY A 48 -5.881 4.211 4.016 1.00 0.00 C ATOM 750 C GLY A 48 -6.426 5.633 3.873 1.00 0.00 C ATOM 751 O GLY A 48 -6.078 6.370 2.947 1.00 0.00 O ATOM 0 H GLY A 48 -5.825 2.697 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.898 4.169 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.530 3.535 3.459 1.00 0.00 H new ATOM 755 N GLN A 49 -7.345 6.004 4.814 1.00 0.00 N ATOM 756 CA GLN A 49 -7.708 7.437 5.080 1.00 0.00 C ATOM 757 C GLN A 49 -6.476 8.206 5.643 1.00 0.00 C ATOM 758 O GLN A 49 -5.921 9.063 4.946 1.00 0.00 O ATOM 759 CB GLN A 49 -8.803 7.374 6.163 1.00 0.00 C ATOM 760 CG GLN A 49 -9.518 8.713 6.461 1.00 0.00 C ATOM 761 CD GLN A 49 -9.755 8.944 7.946 1.00 0.00 C ATOM 762 OE1 GLN A 49 -9.383 9.975 8.545 1.00 0.00 O ATOM 763 NE2 GLN A 49 -10.401 7.976 8.651 1.00 0.00 N ATOM 0 H GLN A 49 -7.847 5.337 5.400 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.037 7.948 4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.551 6.642 5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.356 7.007 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.921 9.533 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.475 8.731 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.714 7.126 8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.573 8.100 9.649 1.00 0.00 H new ATOM 772 N ASN A 50 -6.086 7.885 6.894 1.00 0.00 N ATOM 773 CA ASN A 50 -4.914 8.448 7.599 1.00 0.00 C ATOM 774 C ASN A 50 -3.723 8.590 6.662 1.00 0.00 C ATOM 775 O ASN A 50 -2.948 9.545 6.728 1.00 0.00 O ATOM 776 CB ASN A 50 -4.572 7.578 8.832 1.00 0.00 C ATOM 777 CG ASN A 50 -5.106 8.183 10.156 1.00 0.00 C ATOM 778 OD1 ASN A 50 -4.518 9.021 10.839 1.00 0.00 O ATOM 779 ND2 ASN A 50 -6.285 7.685 10.605 1.00 0.00 N ATOM 0 H ASN A 50 -6.594 7.205 7.460 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.163 9.450 7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.993 6.582 8.697 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.490 7.461 8.901 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.669 8.006 11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.788 6.990 10.054 1.00 0.00 H new ATOM 786 N ALA A 51 -3.544 7.552 5.792 1.00 0.00 N ATOM 787 CA ALA A 51 -2.376 7.417 4.918 1.00 0.00 C ATOM 788 C ALA A 51 -2.157 8.700 4.095 1.00 0.00 C ATOM 789 O ALA A 51 -2.842 9.691 4.237 1.00 0.00 O ATOM 790 CB ALA A 51 -2.547 6.232 3.946 1.00 0.00 C ATOM 0 H ALA A 51 -4.217 6.792 5.690 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.512 7.240 5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.666 6.154 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.666 5.310 4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.430 6.394 3.327 1.00 0.00 H new ATOM 796 N ASP A 52 -1.115 8.620 3.238 1.00 0.00 N ATOM 797 CA ASP A 52 -0.867 9.485 2.055 1.00 0.00 C ATOM 798 C ASP A 52 -1.281 8.791 0.745 1.00 0.00 C ATOM 799 O ASP A 52 -1.512 9.463 -0.264 1.00 0.00 O ATOM 800 CB ASP A 52 0.626 9.862 1.998 1.00 0.00 C ATOM 801 CG ASP A 52 1.052 10.624 0.738 1.00 0.00 C ATOM 802 OD1 ASP A 52 0.153 11.346 0.203 1.00 0.00 O ATOM 803 OD2 ASP A 52 2.238 10.517 0.345 1.00 0.00 O ATOM 0 H ASP A 52 -0.386 7.917 3.355 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.475 10.384 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.866 10.469 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.219 8.950 2.071 1.00 0.00 H new ATOM 808 N VAL A 53 -1.231 7.431 0.762 1.00 0.00 N ATOM 809 CA VAL A 53 -1.597 6.556 -0.336 1.00 0.00 C ATOM 810 C VAL A 53 -2.006 5.170 0.186 1.00 0.00 C ATOM 811 O VAL A 53 -1.558 4.743 1.293 1.00 0.00 O ATOM 812 CB VAL A 53 -0.493 6.529 -1.413 1.00 0.00 C ATOM 813 CG1 VAL A 53 0.794 5.814 -0.930 1.00 0.00 C ATOM 814 CG2 VAL A 53 -0.970 5.902 -2.736 1.00 0.00 C ATOM 0 H VAL A 53 -0.919 6.914 1.584 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.479 6.954 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.253 7.576 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.537 5.824 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.192 6.331 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.560 4.783 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.153 5.909 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.288 4.875 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.807 6.478 -3.130 1.00 0.00 H new ATOM 824 N VAL A 54 -2.914 4.506 -0.525 1.00 0.00 N ATOM 825 CA VAL A 54 -3.551 3.202 -0.162 1.00 0.00 C ATOM 826 C VAL A 54 -3.355 2.227 -1.307 1.00 0.00 C ATOM 827 O VAL A 54 -3.513 2.576 -2.494 1.00 0.00 O ATOM 828 CB VAL A 54 -5.018 3.461 0.206 1.00 0.00 C ATOM 829 CG1 VAL A 54 -5.860 2.247 0.608 1.00 0.00 C ATOM 830 CG2 VAL A 54 -5.193 4.651 1.185 1.00 0.00 C ATOM 0 H VAL A 54 -3.256 4.864 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.089 2.743 0.712 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.448 3.746 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.874 2.569 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.887 1.534 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.419 1.772 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.251 4.786 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.651 4.446 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.800 5.559 0.728 1.00 0.00 H new ATOM 840 N LEU A 55 -2.933 0.966 -0.988 1.00 0.00 N ATOM 841 CA LEU A 55 -2.928 -0.207 -1.834 1.00 0.00 C ATOM 842 C LEU A 55 -3.887 -1.279 -1.304 1.00 0.00 C ATOM 843 O LEU A 55 -3.975 -1.494 -0.091 1.00 0.00 O ATOM 844 CB LEU A 55 -1.453 -0.755 -1.826 1.00 0.00 C ATOM 845 CG LEU A 55 -0.342 0.096 -2.465 1.00 0.00 C ATOM 846 CD1 LEU A 55 0.818 0.447 -1.450 1.00 0.00 C ATOM 847 CD2 LEU A 55 0.221 -0.548 -3.751 1.00 0.00 C ATOM 0 H LEU A 55 -2.566 0.758 -0.059 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.260 0.047 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.174 -0.936 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.458 -1.722 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.815 1.037 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.574 1.048 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.409 1.009 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.272 -0.474 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.002 0.089 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.639 -1.527 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.580 -0.662 -4.482 1.00 0.00 H new ATOM 859 N LEU A 56 -4.708 -1.892 -2.196 1.00 0.00 N ATOM 860 CA LEU A 56 -5.572 -3.066 -1.964 1.00 0.00 C ATOM 861 C LEU A 56 -5.276 -4.170 -2.977 1.00 0.00 C ATOM 862 O LEU A 56 -5.410 -4.014 -4.164 1.00 0.00 O ATOM 863 CB LEU A 56 -7.019 -2.579 -2.059 1.00 0.00 C ATOM 864 CG LEU A 56 -7.740 -2.189 -0.669 1.00 0.00 C ATOM 865 CD1 LEU A 56 -7.681 -3.319 0.337 1.00 0.00 C ATOM 866 CD2 LEU A 56 -7.103 -0.876 -0.175 1.00 0.00 C ATOM 0 H LEU A 56 -4.785 -1.554 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.386 -3.501 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.043 -1.707 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.610 -3.357 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.808 -2.028 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.178 -3.013 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.182 -4.196 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.640 -3.562 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.566 -0.579 0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.034 -1.025 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.258 -0.094 -0.919 1.00 0.00 H new ATOM 878 N GLY A 57 -4.739 -5.356 -2.477 1.00 0.00 N ATOM 879 CA GLY A 57 -4.037 -6.376 -3.302 1.00 0.00 C ATOM 880 C GLY A 57 -4.763 -6.718 -4.584 1.00 0.00 C ATOM 881 O GLY A 57 -5.873 -6.254 -4.876 1.00 0.00 O ATOM 0 H GLY A 57 -4.793 -5.609 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.039 -6.011 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.910 -7.284 -2.712 1.00 0.00 H new ATOM 885 N PRO A 58 -4.140 -7.604 -5.411 1.00 0.00 N ATOM 886 CA PRO A 58 -4.520 -7.816 -6.858 1.00 0.00 C ATOM 887 C PRO A 58 -5.530 -8.963 -7.150 1.00 0.00 C ATOM 888 O PRO A 58 -5.942 -9.193 -8.289 1.00 0.00 O ATOM 889 CB PRO A 58 -3.182 -8.035 -7.538 1.00 0.00 C ATOM 890 CG PRO A 58 -2.421 -8.870 -6.503 1.00 0.00 C ATOM 891 CD PRO A 58 -2.947 -8.363 -5.130 1.00 0.00 C ATOM 0 HA PRO A 58 -5.081 -6.958 -7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.289 -8.562 -8.486 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.676 -7.094 -7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.614 -9.935 -6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.344 -8.728 -6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.165 -9.198 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.201 -7.744 -4.632 1.00 0.00 H new ATOM 899 N GLN A 59 -6.015 -9.504 -5.998 1.00 0.00 N ATOM 900 CA GLN A 59 -7.346 -10.142 -5.893 1.00 0.00 C ATOM 901 C GLN A 59 -8.357 -9.100 -5.288 1.00 0.00 C ATOM 902 O GLN A 59 -9.556 -9.234 -5.451 1.00 0.00 O ATOM 903 CB GLN A 59 -7.223 -11.324 -4.954 1.00 0.00 C ATOM 904 CG GLN A 59 -5.828 -11.958 -4.791 1.00 0.00 C ATOM 905 CD GLN A 59 -5.582 -12.467 -3.351 1.00 0.00 C ATOM 906 OE1 GLN A 59 -6.244 -13.359 -2.822 1.00 0.00 O ATOM 907 NE2 GLN A 59 -4.525 -11.932 -2.682 1.00 0.00 N ATOM 0 H GLN A 59 -5.492 -9.507 -5.122 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.700 -10.470 -6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.567 -11.009 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.907 -12.100 -5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.724 -12.787 -5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.065 -11.224 -5.051 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.970 -11.192 -3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.287 -12.271 -1.750 1.00 0.00 H new ATOM 916 N ILE A 60 -7.810 -8.077 -4.614 1.00 0.00 N ATOM 917 CA ILE A 60 -8.485 -7.123 -3.729 1.00 0.00 C ATOM 918 C ILE A 60 -8.332 -5.677 -4.291 1.00 0.00 C ATOM 919 O ILE A 60 -8.108 -4.718 -3.583 1.00 0.00 O ATOM 920 CB ILE A 60 -8.259 -7.301 -2.250 1.00 0.00 C ATOM 921 CG1 ILE A 60 -9.681 -7.060 -1.508 1.00 0.00 C ATOM 922 CG2 ILE A 60 -7.176 -6.499 -1.590 1.00 0.00 C ATOM 923 CD1 ILE A 60 -10.352 -5.758 -2.110 1.00 0.00 C ATOM 0 H ILE A 60 -6.811 -7.883 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.548 -7.361 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.873 -8.315 -2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.333 -7.922 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.533 -6.947 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.140 -6.741 -0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.216 -6.737 -2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.384 -5.436 -1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -11.310 -5.583 -1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.698 -4.902 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.511 -5.892 -3.180 1.00 0.00 H new ATOM 935 N ALA A 61 -8.433 -5.602 -5.659 1.00 0.00 N ATOM 936 CA ALA A 61 -8.146 -4.448 -6.479 1.00 0.00 C ATOM 937 C ALA A 61 -9.488 -3.714 -6.882 1.00 0.00 C ATOM 938 O ALA A 61 -9.470 -2.778 -7.637 1.00 0.00 O ATOM 939 CB ALA A 61 -7.548 -4.939 -7.861 1.00 0.00 C ATOM 0 H ALA A 61 -8.734 -6.402 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.473 -3.800 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.327 -4.076 -8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.632 -5.501 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.273 -5.578 -8.365 1.00 0.00 H new ATOM 945 N TYR A 62 -10.608 -4.309 -6.402 1.00 0.00 N ATOM 946 CA TYR A 62 -11.974 -4.062 -6.852 1.00 0.00 C ATOM 947 C TYR A 62 -12.695 -3.118 -5.866 1.00 0.00 C ATOM 948 O TYR A 62 -13.655 -2.435 -6.175 1.00 0.00 O ATOM 949 CB TYR A 62 -12.786 -5.436 -6.874 1.00 0.00 C ATOM 950 CG TYR A 62 -13.157 -5.873 -5.440 1.00 0.00 C ATOM 951 CD1 TYR A 62 -12.246 -6.507 -4.612 1.00 0.00 C ATOM 952 CD2 TYR A 62 -14.490 -5.614 -5.024 1.00 0.00 C ATOM 953 CE1 TYR A 62 -12.668 -7.019 -3.376 1.00 0.00 C ATOM 954 CE2 TYR A 62 -14.980 -6.324 -3.909 1.00 0.00 C ATOM 955 CZ TYR A 62 -14.048 -6.980 -3.092 1.00 0.00 C ATOM 956 OH TYR A 62 -14.493 -7.620 -1.990 1.00 0.00 O ATOM 0 H TYR A 62 -10.567 -5.004 -5.657 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.932 -3.616 -7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -13.691 -5.320 -7.470 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.187 -6.211 -7.352 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.215 -6.607 -4.917 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.108 -4.897 -5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -11.962 -7.428 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.037 -6.361 -3.691 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.464 -7.509 -1.917 1.00 0.00 H new ATOM 966 N MET A 63 -12.188 -3.127 -4.600 1.00 0.00 N ATOM 967 CA MET A 63 -12.755 -2.403 -3.447 1.00 0.00 C ATOM 968 C MET A 63 -12.425 -0.921 -3.448 1.00 0.00 C ATOM 969 O MET A 63 -12.789 -0.185 -2.504 1.00 0.00 O ATOM 970 CB MET A 63 -12.324 -3.096 -2.118 1.00 0.00 C ATOM 971 CG MET A 63 -13.383 -4.095 -1.679 1.00 0.00 C ATOM 972 SD MET A 63 -13.930 -3.884 0.080 1.00 0.00 S ATOM 973 CE MET A 63 -15.294 -5.045 0.100 1.00 0.00 C ATOM 0 H MET A 63 -11.350 -3.656 -4.357 1.00 0.00 H new ATOM 0 HA MET A 63 -13.840 -2.453 -3.533 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.370 -3.604 -2.257 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.176 -2.347 -1.340 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.250 -4.001 -2.333 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.993 -5.104 -1.809 1.00 0.00 H new ATOM 0 HE1 MET A 63 -15.805 -4.989 1.061 1.00 0.00 H new ATOM 0 HE2 MET A 63 -15.994 -4.798 -0.698 1.00 0.00 H new ATOM 0 HE3 MET A 63 -14.914 -6.055 -0.050 1.00 0.00 H new ATOM 983 N LEU A 64 -11.756 -0.437 -4.530 1.00 0.00 N ATOM 984 CA LEU A 64 -11.381 0.934 -4.796 1.00 0.00 C ATOM 985 C LEU A 64 -12.545 1.904 -4.536 1.00 0.00 C ATOM 986 O LEU A 64 -12.302 3.027 -4.077 1.00 0.00 O ATOM 987 CB LEU A 64 -10.956 1.004 -6.291 1.00 0.00 C ATOM 988 CG LEU A 64 -11.064 2.391 -6.981 1.00 0.00 C ATOM 989 CD1 LEU A 64 -12.468 2.912 -7.238 1.00 0.00 C ATOM 990 CD2 LEU A 64 -10.156 3.460 -6.290 1.00 0.00 C ATOM 0 H LEU A 64 -11.454 -1.060 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.569 1.231 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.923 0.665 -6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.566 0.296 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.681 2.204 -7.984 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.411 3.887 -7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.002 2.215 -7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.999 3.008 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.262 4.415 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.456 3.574 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.116 3.138 -6.335 1.00 0.00 H new ATOM 1002 N PRO A 65 -13.789 1.526 -4.886 1.00 0.00 N ATOM 1003 CA PRO A 65 -14.985 2.415 -4.919 1.00 0.00 C ATOM 1004 C PRO A 65 -15.638 2.750 -3.536 1.00 0.00 C ATOM 1005 O PRO A 65 -16.008 3.876 -3.231 1.00 0.00 O ATOM 1006 CB PRO A 65 -15.949 1.824 -5.882 1.00 0.00 C ATOM 1007 CG PRO A 65 -15.294 0.659 -6.546 1.00 0.00 C ATOM 1008 CD PRO A 65 -14.142 0.243 -5.542 1.00 0.00 C ATOM 0 HA PRO A 65 -14.652 3.401 -5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.855 1.507 -5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.248 2.565 -6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.998 -0.157 -6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.893 0.930 -7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.485 -0.498 -4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.289 -0.191 -6.064 1.00 0.00 H new ATOM 1016 N GLU A 66 -15.552 1.713 -2.678 1.00 0.00 N ATOM 1017 CA GLU A 66 -16.081 1.700 -1.304 1.00 0.00 C ATOM 1018 C GLU A 66 -15.048 2.103 -0.255 1.00 0.00 C ATOM 1019 O GLU A 66 -15.382 2.577 0.856 1.00 0.00 O ATOM 1020 CB GLU A 66 -16.773 0.391 -1.004 1.00 0.00 C ATOM 1021 CG GLU A 66 -16.067 -0.492 0.035 1.00 0.00 C ATOM 1022 CD GLU A 66 -16.539 -1.975 -0.020 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -17.125 -2.348 -1.050 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -16.268 -2.631 1.017 1.00 0.00 O ATOM 0 H GLU A 66 -15.098 0.836 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.840 2.480 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.783 0.603 -0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.870 -0.173 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.990 -0.451 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.252 -0.092 1.032 1.00 0.00 H new ATOM 1031 N ILE A 67 -13.751 1.831 -0.569 1.00 0.00 N ATOM 1032 CA ILE A 67 -12.573 2.477 0.092 1.00 0.00 C ATOM 1033 C ILE A 67 -12.696 4.011 -0.073 1.00 0.00 C ATOM 1034 O ILE A 67 -12.415 4.797 0.813 1.00 0.00 O ATOM 1035 CB ILE A 67 -11.244 1.913 -0.460 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -11.260 0.385 -0.447 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -9.983 2.520 0.161 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -9.952 -0.300 0.114 1.00 0.00 C ATOM 0 H ILE A 67 -13.489 1.157 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.565 2.248 1.158 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.181 2.235 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.109 0.052 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.428 0.031 -1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.101 2.064 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.968 3.594 -0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.981 2.335 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.066 -1.384 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.097 -0.005 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.789 0.016 1.145 1.00 0.00 H new ATOM 1050 N GLN A 68 -13.134 4.393 -1.300 1.00 0.00 N ATOM 1051 CA GLN A 68 -13.413 5.786 -1.725 1.00 0.00 C ATOM 1052 C GLN A 68 -14.592 6.356 -0.904 1.00 0.00 C ATOM 1053 O GLN A 68 -14.549 7.521 -0.418 1.00 0.00 O ATOM 1054 CB GLN A 68 -13.825 5.721 -3.203 1.00 0.00 C ATOM 1055 CG GLN A 68 -12.661 5.645 -4.185 1.00 0.00 C ATOM 1056 CD GLN A 68 -11.279 5.842 -3.537 1.00 0.00 C ATOM 1057 OE1 GLN A 68 -10.601 4.931 -3.041 1.00 0.00 O ATOM 1058 NE2 GLN A 68 -10.772 7.095 -3.533 1.00 0.00 N ATOM 0 H GLN A 68 -13.308 3.717 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.540 6.421 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.464 4.851 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.425 6.600 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.682 4.676 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.800 6.403 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.309 7.864 -3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.853 7.272 -3.128 1.00 0.00 H new ATOM 1067 N ARG A 69 -15.691 5.597 -0.826 1.00 0.00 N ATOM 1068 CA ARG A 69 -17.011 5.998 -0.303 1.00 0.00 C ATOM 1069 C ARG A 69 -16.923 6.281 1.203 1.00 0.00 C ATOM 1070 O ARG A 69 -17.684 7.065 1.768 1.00 0.00 O ATOM 1071 CB ARG A 69 -18.043 4.880 -0.581 1.00 0.00 C ATOM 1072 CG ARG A 69 -18.410 4.786 -2.062 1.00 0.00 C ATOM 1073 CD ARG A 69 -19.926 4.972 -2.293 1.00 0.00 C ATOM 1074 NE ARG A 69 -20.654 4.145 -1.328 1.00 0.00 N ATOM 1075 CZ ARG A 69 -21.939 4.293 -0.921 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -22.710 5.288 -1.403 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -22.505 3.474 -0.029 1.00 0.00 N ATOM 0 H ARG A 69 -15.687 4.628 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.332 6.910 -0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -17.639 3.924 -0.248 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -18.944 5.066 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.862 5.545 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -18.100 3.817 -2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -20.200 6.020 -2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -20.191 4.686 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 69 -20.136 3.370 -0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -22.329 5.944 -2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -23.675 5.385 -1.086 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -21.967 2.705 0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -23.475 3.618 0.252 1.00 0.00 H new ATOM 1091 N LEU A 70 -15.981 5.534 1.848 1.00 0.00 N ATOM 1092 CA LEU A 70 -15.754 5.462 3.295 1.00 0.00 C ATOM 1093 C LEU A 70 -14.393 6.091 3.627 1.00 0.00 C ATOM 1094 O LEU A 70 -14.128 6.375 4.826 1.00 0.00 O ATOM 1095 CB LEU A 70 -15.830 3.968 3.673 1.00 0.00 C ATOM 1096 CG LEU A 70 -15.192 3.498 4.990 1.00 0.00 C ATOM 1097 CD1 LEU A 70 -15.637 2.117 5.490 1.00 0.00 C ATOM 1098 CD2 LEU A 70 -13.624 3.572 4.868 1.00 0.00 C ATOM 0 H LEU A 70 -15.333 4.940 1.331 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.497 6.017 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.883 3.689 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.370 3.400 2.864 1.00 0.00 H new ATOM 0 HG LEU A 70 -15.557 4.185 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -15.126 1.886 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.714 2.120 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.388 1.362 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.170 3.239 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.292 2.929 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.323 4.600 4.665 1.00 0.00 H new ATOM 1110 N LEU A 71 -13.521 6.317 2.628 1.00 0.00 N ATOM 1111 CA LEU A 71 -12.264 7.116 2.710 1.00 0.00 C ATOM 1112 C LEU A 71 -11.962 7.655 1.297 1.00 0.00 C ATOM 1113 O LEU A 71 -11.379 6.949 0.481 1.00 0.00 O ATOM 1114 CB LEU A 71 -11.201 6.167 3.221 1.00 0.00 C ATOM 1115 CG LEU A 71 -10.259 5.390 2.279 1.00 0.00 C ATOM 1116 CD1 LEU A 71 -9.108 6.263 1.701 1.00 0.00 C ATOM 1117 CD2 LEU A 71 -9.663 4.121 2.969 1.00 0.00 C ATOM 0 H LEU A 71 -13.671 5.934 1.695 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.322 7.974 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.564 6.744 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.714 5.424 3.831 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.886 5.080 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.483 5.655 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.530 7.091 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.503 6.655 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.005 3.603 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.095 4.419 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.473 3.455 3.267 1.00 0.00 H new ATOM 1129 N PRO A 72 -12.421 8.894 0.989 1.00 0.00 N ATOM 1130 CA PRO A 72 -12.605 9.445 -0.357 1.00 0.00 C ATOM 1131 C PRO A 72 -11.415 9.702 -1.268 1.00 0.00 C ATOM 1132 O PRO A 72 -10.640 8.804 -1.653 1.00 0.00 O ATOM 1133 CB PRO A 72 -13.583 10.594 -0.232 1.00 0.00 C ATOM 1134 CG PRO A 72 -13.257 11.140 1.186 1.00 0.00 C ATOM 1135 CD PRO A 72 -13.047 9.805 1.988 1.00 0.00 C ATOM 0 HA PRO A 72 -12.996 8.622 -0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.429 11.347 -1.005 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.618 10.260 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.365 11.767 1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.071 11.740 1.593 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.403 9.954 2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.991 9.406 2.358 1.00 0.00 H new ATOM 1143 N ASN A 73 -11.232 11.028 -1.594 1.00 0.00 N ATOM 1144 CA ASN A 73 -10.456 11.542 -2.711 1.00 0.00 C ATOM 1145 C ASN A 73 -8.966 11.234 -2.598 1.00 0.00 C ATOM 1146 O ASN A 73 -8.150 11.651 -3.433 1.00 0.00 O ATOM 1147 CB ASN A 73 -10.758 13.008 -2.995 1.00 0.00 C ATOM 1148 CG ASN A 73 -9.521 13.923 -3.130 1.00 0.00 C ATOM 1149 OD1 ASN A 73 -9.042 14.303 -4.203 1.00 0.00 O ATOM 1150 ND2 ASN A 73 -8.951 14.368 -1.976 1.00 0.00 N ATOM 0 H ASN A 73 -11.653 11.775 -1.042 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.785 10.994 -3.594 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.338 13.071 -3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.389 13.394 -2.194 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.150 14.998 -2.013 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.325 14.071 -1.075 1.00 0.00 H new ATOM 1157 N LYS A 74 -8.591 10.546 -1.492 1.00 0.00 N ATOM 1158 CA LYS A 74 -7.194 10.023 -1.303 1.00 0.00 C ATOM 1159 C LYS A 74 -6.792 9.074 -2.459 1.00 0.00 C ATOM 1160 O LYS A 74 -7.658 8.527 -3.163 1.00 0.00 O ATOM 1161 CB LYS A 74 -7.084 9.288 0.036 1.00 0.00 C ATOM 1162 CG LYS A 74 -7.471 10.244 1.196 1.00 0.00 C ATOM 1163 CD LYS A 74 -6.325 11.203 1.618 1.00 0.00 C ATOM 1164 CE LYS A 74 -5.696 10.698 2.917 1.00 0.00 C ATOM 1165 NZ LYS A 74 -5.422 11.833 3.853 1.00 0.00 N ATOM 0 H LYS A 74 -9.221 10.336 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.512 10.873 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.739 8.417 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.067 8.923 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.336 10.835 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.774 9.651 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.572 11.256 0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.712 12.212 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.364 9.981 3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.768 10.171 2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.995 11.466 4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.767 12.504 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.313 12.319 4.080 1.00 0.00 H new ATOM 1179 N PRO A 75 -5.472 8.941 -2.673 1.00 0.00 N ATOM 1180 CA PRO A 75 -4.843 8.061 -3.687 1.00 0.00 C ATOM 1181 C PRO A 75 -4.654 6.563 -3.380 1.00 0.00 C ATOM 1182 O PRO A 75 -3.570 6.036 -3.201 1.00 0.00 O ATOM 1183 CB PRO A 75 -3.551 8.787 -4.095 1.00 0.00 C ATOM 1184 CG PRO A 75 -3.112 9.443 -2.790 1.00 0.00 C ATOM 1185 CD PRO A 75 -4.427 9.777 -2.033 1.00 0.00 C ATOM 0 HA PRO A 75 -5.555 7.937 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.799 8.095 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.730 9.523 -4.879 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.482 8.772 -2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.528 10.344 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.338 9.550 -0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.668 10.837 -2.113 1.00 0.00 H new ATOM 1193 N VAL A 76 -5.832 5.860 -3.471 1.00 0.00 N ATOM 1194 CA VAL A 76 -5.929 4.417 -3.468 1.00 0.00 C ATOM 1195 C VAL A 76 -5.465 3.791 -4.783 1.00 0.00 C ATOM 1196 O VAL A 76 -5.486 4.434 -5.854 1.00 0.00 O ATOM 1197 CB VAL A 76 -7.357 3.983 -3.042 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -7.581 2.447 -3.105 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -7.799 4.557 -1.692 1.00 0.00 C ATOM 0 H VAL A 76 -6.739 6.320 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.234 4.027 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.006 4.428 -3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.600 2.215 -2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.425 2.098 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.876 1.949 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.806 4.210 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.113 4.224 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.792 5.646 -1.740 1.00 0.00 H new ATOM 1209 N GLU A 77 -4.923 2.561 -4.719 1.00 0.00 N ATOM 1210 CA GLU A 77 -4.704 1.664 -5.820 1.00 0.00 C ATOM 1211 C GLU A 77 -4.321 0.233 -5.319 1.00 0.00 C ATOM 1212 O GLU A 77 -3.667 0.102 -4.313 1.00 0.00 O ATOM 1213 CB GLU A 77 -3.612 2.170 -6.781 1.00 0.00 C ATOM 1214 CG GLU A 77 -4.199 2.619 -8.131 1.00 0.00 C ATOM 1215 CD GLU A 77 -3.260 2.321 -9.327 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -2.391 1.423 -9.186 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -3.412 3.085 -10.325 1.00 0.00 O ATOM 0 H GLU A 77 -4.614 2.162 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.647 1.620 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.081 3.003 -6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.881 1.379 -6.948 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.153 2.117 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.404 3.689 -8.094 1.00 0.00 H new ATOM 1224 N VAL A 78 -4.886 -0.805 -5.996 1.00 0.00 N ATOM 1225 CA VAL A 78 -4.510 -2.228 -5.804 1.00 0.00 C ATOM 1226 C VAL A 78 -3.033 -2.372 -5.513 1.00 0.00 C ATOM 1227 O VAL A 78 -2.231 -1.430 -5.666 1.00 0.00 O ATOM 1228 CB VAL A 78 -5.038 -3.082 -6.971 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.421 -2.736 -8.348 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -4.951 -4.596 -6.703 1.00 0.00 C ATOM 0 H VAL A 78 -5.619 -0.673 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.998 -2.624 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.092 -2.811 -7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.849 -3.385 -9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.637 -1.696 -8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.342 -2.883 -8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.339 -5.141 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.911 -4.876 -6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.541 -4.844 -5.821 1.00 0.00 H new ATOM 1240 N ILE A 79 -2.593 -3.551 -5.025 1.00 0.00 N ATOM 1241 CA ILE A 79 -1.255 -4.143 -5.235 1.00 0.00 C ATOM 1242 C ILE A 79 -1.208 -4.853 -6.612 1.00 0.00 C ATOM 1243 O ILE A 79 -2.240 -5.144 -7.253 1.00 0.00 O ATOM 1244 CB ILE A 79 -0.884 -5.061 -4.045 1.00 0.00 C ATOM 1245 CG1 ILE A 79 -1.423 -4.557 -2.694 1.00 0.00 C ATOM 1246 CG2 ILE A 79 0.611 -5.454 -3.991 1.00 0.00 C ATOM 1247 CD1 ILE A 79 -1.492 -5.631 -1.600 1.00 0.00 C ATOM 0 H ILE A 79 -3.189 -4.144 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.494 -3.363 -5.262 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.411 -5.994 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.790 -3.741 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.421 -4.145 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.787 -6.097 -3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.880 -5.987 -4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.221 -4.555 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.882 -5.191 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.149 -6.438 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.494 -6.028 -1.416 1.00 0.00 H new ATOM 1259 N ASP A 80 0.033 -5.119 -7.037 1.00 0.00 N ATOM 1260 CA ASP A 80 0.431 -6.146 -8.040 1.00 0.00 C ATOM 1261 C ASP A 80 0.703 -7.495 -7.259 1.00 0.00 C ATOM 1262 O ASP A 80 0.698 -7.508 -6.061 1.00 0.00 O ATOM 1263 CB ASP A 80 1.726 -5.734 -8.713 1.00 0.00 C ATOM 1264 CG ASP A 80 1.605 -5.290 -10.191 1.00 0.00 C ATOM 1265 OD1 ASP A 80 1.312 -4.060 -10.362 1.00 0.00 O ATOM 1266 OD2 ASP A 80 1.769 -6.163 -11.063 1.00 0.00 O ATOM 0 H ASP A 80 0.837 -4.604 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.354 -6.258 -8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.166 -4.916 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.423 -6.570 -8.660 1.00 0.00 H new ATOM 1271 N SER A 81 0.743 -8.562 -8.099 1.00 0.00 N ATOM 1272 CA SER A 81 0.494 -9.958 -7.638 1.00 0.00 C ATOM 1273 C SER A 81 1.802 -10.783 -7.689 1.00 0.00 C ATOM 1274 O SER A 81 1.900 -11.872 -7.068 1.00 0.00 O ATOM 1275 CB SER A 81 -0.551 -10.536 -8.554 1.00 0.00 C ATOM 1276 OG SER A 81 -0.597 -11.945 -8.562 1.00 0.00 O ATOM 0 H SER A 81 0.944 -8.485 -9.096 1.00 0.00 H new ATOM 0 HA SER A 81 0.148 -9.979 -6.604 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.528 -10.153 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.364 -10.184 -9.568 1.00 0.00 H new ATOM 0 HG SER A 81 -1.298 -12.246 -9.177 1.00 0.00 H new ATOM 1282 N LEU A 82 2.782 -10.249 -8.422 1.00 0.00 N ATOM 1283 CA LEU A 82 4.157 -10.777 -8.618 1.00 0.00 C ATOM 1284 C LEU A 82 5.135 -9.939 -7.801 1.00 0.00 C ATOM 1285 O LEU A 82 6.150 -10.416 -7.307 1.00 0.00 O ATOM 1286 CB LEU A 82 4.415 -10.480 -10.154 1.00 0.00 C ATOM 1287 CG LEU A 82 3.808 -11.513 -11.147 1.00 0.00 C ATOM 1288 CD1 LEU A 82 2.453 -11.130 -11.706 1.00 0.00 C ATOM 1289 CD2 LEU A 82 4.825 -12.161 -12.066 1.00 0.00 C ATOM 0 H LEU A 82 2.638 -9.378 -8.933 1.00 0.00 H new ATOM 0 HA LEU A 82 4.273 -11.822 -8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.010 -9.495 -10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.491 -10.431 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 82 3.514 -12.377 -10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.108 -11.907 -12.388 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.740 -11.021 -10.889 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.535 -10.186 -12.244 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.321 -12.867 -12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.317 -11.393 -12.664 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.569 -12.689 -11.470 1.00 0.00 H new ATOM 1301 N LEU A 83 4.842 -8.595 -7.681 1.00 0.00 N ATOM 1302 CA LEU A 83 5.467 -7.701 -6.665 1.00 0.00 C ATOM 1303 C LEU A 83 4.915 -8.057 -5.283 1.00 0.00 C ATOM 1304 O LEU A 83 5.709 -8.135 -4.311 1.00 0.00 O ATOM 1305 CB LEU A 83 5.108 -6.279 -7.110 1.00 0.00 C ATOM 1306 CG LEU A 83 5.325 -5.867 -8.573 1.00 0.00 C ATOM 1307 CD1 LEU A 83 5.709 -4.397 -8.790 1.00 0.00 C ATOM 1308 CD2 LEU A 83 6.173 -6.859 -9.373 1.00 0.00 C ATOM 0 H LEU A 83 4.172 -8.118 -8.284 1.00 0.00 H new ATOM 0 HA LEU A 83 6.550 -7.803 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.055 -6.121 -6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.678 -5.589 -6.488 1.00 0.00 H new ATOM 0 HG LEU A 83 4.327 -5.929 -9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.839 -4.208 -9.856 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.920 -3.754 -8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.641 -4.183 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.283 -6.501 -10.397 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.157 -6.950 -8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.684 -7.833 -9.380 1.00 0.00 H new ATOM 1320 N TYR A 84 3.575 -8.205 -5.134 1.00 0.00 N ATOM 1321 CA TYR A 84 2.911 -8.778 -3.927 1.00 0.00 C ATOM 1322 C TYR A 84 3.710 -9.983 -3.417 1.00 0.00 C ATOM 1323 O TYR A 84 4.560 -9.909 -2.512 1.00 0.00 O ATOM 1324 CB TYR A 84 1.452 -9.185 -4.242 1.00 0.00 C ATOM 1325 CG TYR A 84 0.501 -9.295 -3.036 1.00 0.00 C ATOM 1326 CD1 TYR A 84 0.739 -8.534 -1.881 1.00 0.00 C ATOM 1327 CD2 TYR A 84 -0.595 -10.174 -3.125 1.00 0.00 C ATOM 1328 CE1 TYR A 84 -0.118 -8.685 -0.777 1.00 0.00 C ATOM 1329 CE2 TYR A 84 -1.407 -10.354 -2.004 1.00 0.00 C ATOM 1330 CZ TYR A 84 -1.215 -9.535 -0.881 1.00 0.00 C ATOM 1331 OH TYR A 84 -2.138 -9.563 0.113 1.00 0.00 O ATOM 0 H TYR A 84 2.912 -7.927 -5.857 1.00 0.00 H new ATOM 0 HA TYR A 84 2.884 -8.016 -3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.037 -8.458 -4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.468 -10.147 -4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.568 -7.843 -1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.804 -10.700 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.073 -8.148 0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.174 -11.115 -2.001 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.841 -10.207 -0.112 1.00 0.00 H new ATOM 1341 N GLY A 85 3.408 -11.148 -4.025 1.00 0.00 N ATOM 1342 CA GLY A 85 3.794 -12.478 -3.456 1.00 0.00 C ATOM 1343 C GLY A 85 5.333 -12.688 -3.503 1.00 0.00 C ATOM 1344 O GLY A 85 5.875 -13.549 -2.803 1.00 0.00 O ATOM 0 H GLY A 85 2.900 -11.207 -4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.447 -12.549 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.299 -13.272 -4.015 1.00 0.00 H new ATOM 1348 N LYS A 86 6.005 -11.892 -4.367 1.00 0.00 N ATOM 1349 CA LYS A 86 7.484 -11.830 -4.435 1.00 0.00 C ATOM 1350 C LYS A 86 7.972 -10.459 -3.882 1.00 0.00 C ATOM 1351 O LYS A 86 9.027 -9.964 -4.217 1.00 0.00 O ATOM 1352 CB LYS A 86 8.030 -12.084 -5.815 1.00 0.00 C ATOM 1353 CG LYS A 86 7.188 -13.049 -6.647 1.00 0.00 C ATOM 1354 CD LYS A 86 7.911 -13.851 -7.725 1.00 0.00 C ATOM 1355 CE LYS A 86 9.263 -14.374 -7.170 1.00 0.00 C ATOM 1356 NZ LYS A 86 9.822 -15.382 -8.097 1.00 0.00 N ATOM 0 H LYS A 86 5.539 -11.277 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 86 7.872 -12.637 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.106 -11.135 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.041 -12.482 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.709 -13.753 -5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.393 -12.477 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.291 -14.688 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.084 -13.227 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.963 -13.547 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.117 -14.814 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.728 -15.732 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.156 -16.175 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.976 -14.948 -9.030 1.00 0.00 H new ATOM 1370 N VAL A 87 7.073 -9.860 -3.039 1.00 0.00 N ATOM 1371 CA VAL A 87 7.519 -8.891 -2.014 1.00 0.00 C ATOM 1372 C VAL A 87 8.640 -7.998 -2.602 1.00 0.00 C ATOM 1373 O VAL A 87 9.799 -8.121 -2.252 1.00 0.00 O ATOM 1374 CB VAL A 87 7.905 -9.622 -0.718 1.00 0.00 C ATOM 1375 CG1 VAL A 87 6.805 -9.776 0.338 1.00 0.00 C ATOM 1376 CG2 VAL A 87 8.541 -11.047 -0.996 1.00 0.00 C ATOM 0 H VAL A 87 6.068 -10.031 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 87 6.705 -8.221 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 87 8.642 -8.942 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.203 -10.307 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.456 -8.790 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.973 -10.340 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.796 -11.522 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.823 -11.668 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.442 -10.932 -1.599 1.00 0.00 H new ATOM 1386 N ASP A 88 8.253 -7.180 -3.624 1.00 0.00 N ATOM 1387 CA ASP A 88 9.072 -6.234 -4.359 1.00 0.00 C ATOM 1388 C ASP A 88 9.289 -4.898 -3.641 1.00 0.00 C ATOM 1389 O ASP A 88 8.703 -3.873 -4.016 1.00 0.00 O ATOM 1390 CB ASP A 88 8.585 -6.031 -5.785 1.00 0.00 C ATOM 1391 CG ASP A 88 9.702 -5.912 -6.862 1.00 0.00 C ATOM 1392 OD1 ASP A 88 10.876 -6.185 -6.441 1.00 0.00 O ATOM 1393 OD2 ASP A 88 9.369 -5.578 -8.023 1.00 0.00 O ATOM 0 H ASP A 88 7.290 -7.183 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 88 10.055 -6.702 -4.408 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.935 -6.865 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.975 -5.128 -5.817 1.00 0.00 H new ATOM 1398 N GLY A 89 10.027 -4.965 -2.521 1.00 0.00 N ATOM 1399 CA GLY A 89 10.476 -3.802 -1.712 1.00 0.00 C ATOM 1400 C GLY A 89 10.512 -2.499 -2.550 1.00 0.00 C ATOM 1401 O GLY A 89 9.565 -1.685 -2.447 1.00 0.00 O ATOM 0 H GLY A 89 10.342 -5.855 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.806 -3.670 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.468 -4.002 -1.307 1.00 0.00 H new ATOM 1405 N LEU A 90 11.620 -2.300 -3.301 1.00 0.00 N ATOM 1406 CA LEU A 90 11.977 -1.079 -4.034 1.00 0.00 C ATOM 1407 C LEU A 90 11.127 -0.956 -5.313 1.00 0.00 C ATOM 1408 O LEU A 90 11.118 0.096 -5.948 1.00 0.00 O ATOM 1409 CB LEU A 90 13.482 -1.244 -4.375 1.00 0.00 C ATOM 1410 CG LEU A 90 13.903 -1.533 -5.817 1.00 0.00 C ATOM 1411 CD1 LEU A 90 13.398 -2.921 -6.335 1.00 0.00 C ATOM 1412 CD2 LEU A 90 13.571 -0.391 -6.780 1.00 0.00 C ATOM 0 H LEU A 90 12.322 -3.031 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 90 11.793 -0.175 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.989 -0.330 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.870 -2.051 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 90 14.991 -1.598 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.728 -3.068 -7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 90 13.804 -3.714 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.309 -2.950 -6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.895 -0.658 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.495 -0.216 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.086 0.515 -6.461 1.00 0.00 H new ATOM 1424 N GLY A 91 10.442 -2.055 -5.699 1.00 0.00 N ATOM 1425 CA GLY A 91 9.382 -2.089 -6.723 1.00 0.00 C ATOM 1426 C GLY A 91 8.079 -1.442 -6.225 1.00 0.00 C ATOM 1427 O GLY A 91 7.481 -0.619 -6.933 1.00 0.00 O ATOM 0 H GLY A 91 10.620 -2.972 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.726 -1.570 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.187 -3.123 -7.009 1.00 0.00 H new ATOM 1431 N VAL A 92 7.616 -1.887 -5.031 1.00 0.00 N ATOM 1432 CA VAL A 92 6.266 -1.586 -4.512 1.00 0.00 C ATOM 1433 C VAL A 92 6.252 -0.183 -3.862 1.00 0.00 C ATOM 1434 O VAL A 92 5.201 0.471 -3.755 1.00 0.00 O ATOM 1435 CB VAL A 92 5.830 -2.712 -3.537 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.283 -2.532 -3.170 1.00 0.00 C ATOM 1437 CG2 VAL A 92 6.013 -4.114 -4.171 1.00 0.00 C ATOM 0 H VAL A 92 8.173 -2.466 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 92 5.539 -1.560 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 92 6.455 -2.638 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.977 -3.323 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.132 -1.563 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.684 -2.588 -4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.698 -4.878 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.408 -4.187 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.062 -4.265 -4.424 1.00 0.00 H new ATOM 1447 N LEU A 93 7.447 0.227 -3.367 1.00 0.00 N ATOM 1448 CA LEU A 93 7.756 1.603 -2.932 1.00 0.00 C ATOM 1449 C LEU A 93 7.748 2.546 -4.146 1.00 0.00 C ATOM 1450 O LEU A 93 7.208 3.640 -4.103 1.00 0.00 O ATOM 1451 CB LEU A 93 9.176 1.526 -2.313 1.00 0.00 C ATOM 1452 CG LEU A 93 9.599 2.655 -1.336 1.00 0.00 C ATOM 1453 CD1 LEU A 93 8.484 3.138 -0.395 1.00 0.00 C ATOM 1454 CD2 LEU A 93 10.897 2.298 -0.594 1.00 0.00 C ATOM 0 H LEU A 93 8.237 -0.409 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 93 7.026 1.987 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.261 0.576 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.897 1.502 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 93 9.806 3.523 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.869 3.927 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.653 3.526 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.138 2.305 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.165 3.110 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.749 1.383 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.699 2.148 -1.316 1.00 0.00 H new ATOM 1466 N LYS A 94 8.441 2.143 -5.245 1.00 0.00 N ATOM 1467 CA LYS A 94 8.246 2.714 -6.587 1.00 0.00 C ATOM 1468 C LYS A 94 6.757 2.903 -6.957 1.00 0.00 C ATOM 1469 O LYS A 94 6.274 4.038 -7.077 1.00 0.00 O ATOM 1470 CB LYS A 94 8.990 1.886 -7.660 1.00 0.00 C ATOM 1471 CG LYS A 94 9.862 2.816 -8.524 1.00 0.00 C ATOM 1472 CD LYS A 94 11.344 2.914 -8.103 1.00 0.00 C ATOM 1473 CE LYS A 94 11.543 4.213 -7.279 1.00 0.00 C ATOM 1474 NZ LYS A 94 12.870 4.150 -6.603 1.00 0.00 N ATOM 0 H LYS A 94 9.150 1.411 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 94 8.682 3.713 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.612 1.129 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.272 1.358 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.817 2.472 -9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.429 3.816 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.627 2.044 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.987 2.923 -8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.491 5.086 -7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.747 4.318 -6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.017 5.016 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.900 3.323 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.620 4.067 -7.318 1.00 0.00 H new ATOM 1488 N ALA A 95 6.075 1.769 -7.224 1.00 0.00 N ATOM 1489 CA ALA A 95 4.677 1.690 -7.713 1.00 0.00 C ATOM 1490 C ALA A 95 3.736 2.546 -6.864 1.00 0.00 C ATOM 1491 O ALA A 95 2.740 3.097 -7.307 1.00 0.00 O ATOM 1492 CB ALA A 95 4.195 0.244 -7.783 1.00 0.00 C ATOM 0 H ALA A 95 6.496 0.848 -7.101 1.00 0.00 H new ATOM 0 HA ALA A 95 4.663 2.094 -8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.167 0.220 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.833 -0.320 -8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.240 -0.203 -6.790 1.00 0.00 H new ATOM 1498 N ALA A 96 4.069 2.617 -5.532 1.00 0.00 N ATOM 1499 CA ALA A 96 3.308 3.401 -4.548 1.00 0.00 C ATOM 1500 C ALA A 96 3.696 4.903 -4.627 1.00 0.00 C ATOM 1501 O ALA A 96 2.856 5.781 -4.411 1.00 0.00 O ATOM 1502 CB ALA A 96 3.529 2.873 -3.144 1.00 0.00 C ATOM 0 H ALA A 96 4.870 2.129 -5.132 1.00 0.00 H new ATOM 0 HA ALA A 96 2.249 3.302 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.955 3.471 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.203 1.834 -3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.588 2.934 -2.895 1.00 0.00 H new ATOM 1508 N VAL A 97 4.991 5.141 -4.925 1.00 0.00 N ATOM 1509 CA VAL A 97 5.581 6.475 -5.160 1.00 0.00 C ATOM 1510 C VAL A 97 5.117 7.016 -6.528 1.00 0.00 C ATOM 1511 O VAL A 97 5.105 8.234 -6.773 1.00 0.00 O ATOM 1512 CB VAL A 97 7.097 6.435 -4.969 1.00 0.00 C ATOM 1513 CG1 VAL A 97 7.883 7.624 -5.530 1.00 0.00 C ATOM 1514 CG2 VAL A 97 7.489 6.205 -3.466 1.00 0.00 C ATOM 0 H VAL A 97 5.674 4.388 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 97 5.222 7.187 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 97 7.395 5.580 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.946 7.483 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.718 7.694 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.545 8.543 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.575 6.183 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.089 7.016 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.076 5.256 -3.123 1.00 0.00 H new ATOM 1524 N ALA A 98 4.782 6.081 -7.443 1.00 0.00 N ATOM 1525 CA ALA A 98 4.106 6.372 -8.717 1.00 0.00 C ATOM 1526 C ALA A 98 2.613 6.714 -8.482 1.00 0.00 C ATOM 1527 O ALA A 98 2.044 7.553 -9.186 1.00 0.00 O ATOM 1528 CB ALA A 98 4.196 5.144 -9.653 1.00 0.00 C ATOM 0 H ALA A 98 4.978 5.089 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 98 4.601 7.228 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.693 5.366 -10.594 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.243 4.910 -9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.715 4.289 -9.178 1.00 0.00 H new ATOM 1534 N ALA A 99 1.991 6.007 -7.526 1.00 0.00 N ATOM 1535 CA ALA A 99 0.637 6.284 -6.999 1.00 0.00 C ATOM 1536 C ALA A 99 0.533 7.709 -6.462 1.00 0.00 C ATOM 1537 O ALA A 99 -0.550 8.324 -6.470 1.00 0.00 O ATOM 1538 CB ALA A 99 0.268 5.256 -5.922 1.00 0.00 C ATOM 0 H ALA A 99 2.427 5.199 -7.081 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.076 6.195 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.731 5.470 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.285 4.255 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.987 5.311 -5.105 1.00 0.00 H new ATOM 1544 N ILE A 100 1.639 8.218 -5.899 1.00 0.00 N ATOM 1545 CA ILE A 100 1.815 9.585 -5.328 1.00 0.00 C ATOM 1546 C ILE A 100 1.852 10.598 -6.498 1.00 0.00 C ATOM 1547 O ILE A 100 1.194 11.631 -6.512 1.00 0.00 O ATOM 1548 CB ILE A 100 3.086 9.637 -4.439 1.00 0.00 C ATOM 1549 CG1 ILE A 100 2.854 9.067 -3.047 1.00 0.00 C ATOM 1550 CG2 ILE A 100 3.822 10.963 -4.513 1.00 0.00 C ATOM 1551 CD1 ILE A 100 1.482 9.269 -2.402 1.00 0.00 C ATOM 0 H ILE A 100 2.491 7.663 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 100 0.981 9.848 -4.677 1.00 0.00 H new ATOM 0 HB ILE A 100 3.808 8.946 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.047 7.995 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.601 9.499 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.699 10.929 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.135 11.149 -5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.161 11.765 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.473 8.807 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.279 10.336 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.716 8.808 -3.025 1.00 0.00 H new ATOM 1563 N LYS A 101 2.688 10.236 -7.512 1.00 0.00 N ATOM 1564 CA LYS A 101 2.742 10.917 -8.807 1.00 0.00 C ATOM 1565 C LYS A 101 1.399 10.965 -9.533 1.00 0.00 C ATOM 1566 O LYS A 101 1.005 11.988 -10.103 1.00 0.00 O ATOM 1567 CB LYS A 101 3.900 10.477 -9.654 1.00 0.00 C ATOM 1568 CG LYS A 101 3.511 9.909 -11.020 1.00 0.00 C ATOM 1569 CD LYS A 101 3.088 10.937 -12.065 1.00 0.00 C ATOM 1570 CE LYS A 101 1.775 10.491 -12.739 1.00 0.00 C ATOM 1571 NZ LYS A 101 2.058 9.986 -14.115 1.00 0.00 N ATOM 0 H LYS A 101 3.341 9.456 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 101 2.950 11.963 -8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.566 11.326 -9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.465 9.721 -9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.357 9.345 -11.413 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.693 9.202 -10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.953 11.911 -11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.871 11.050 -12.814 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.298 9.710 -12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.077 11.327 -12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.169 9.687 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.494 10.743 -14.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.708 9.176 -14.061 1.00 0.00 H new