USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 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 5 LYS NZ :NH3+ -170:sc= 0.89 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.854 K(o=1.7,f=-2.2) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 82:sc= 0.317 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -175:sc= -0.472 (180deg=-0.544) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -131:sc= 0 (180deg=-0.0498) USER MOD Single : A 36 CYS SG : rot 29:sc= -0.293 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -177:sc= 0 (180deg=-0.00892) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 51 SER OG : rot 160:sc= 1.29 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00956 USER MOD Single : A 53 ASN : amide:sc= 0.0117 K(o=0.012,f=-1.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0149) USER MOD Single : A 59 SER OG : rot 71:sc= 0.826 USER MOD Single : A 60 ASN : amide:sc= 0.411 K(o=0.41,f=-0.89) USER MOD Single : A 67 ASN : amide:sc= 0.801 K(o=0.8,f=-5.9!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) 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 ----------------------------------------------------------------- ATOM 68 N ILE A 4 6.700 -2.460 -3.194 1.00 0.00 N ATOM 69 CA ILE A 4 5.639 -1.511 -3.599 1.00 0.00 C ATOM 70 C ILE A 4 5.538 -0.256 -2.715 1.00 0.00 C ATOM 71 O ILE A 4 5.266 0.836 -3.213 1.00 0.00 O ATOM 72 CB ILE A 4 4.293 -2.261 -3.727 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.182 -1.424 -4.392 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.781 -2.755 -2.363 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.475 -1.007 -5.836 1.00 0.00 C ATOM 0 HA ILE A 4 5.919 -1.115 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 4 4.513 -3.110 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.254 -1.996 -4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.015 -0.527 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.833 -3.277 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.511 -3.436 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.635 -1.903 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.640 -0.423 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.383 -0.405 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.611 -1.897 -6.451 1.00 0.00 H new ATOM 87 N LYS A 5 5.841 -0.377 -1.420 1.00 0.00 N ATOM 88 CA LYS A 5 5.845 0.753 -0.480 1.00 0.00 C ATOM 89 C LYS A 5 6.970 1.757 -0.803 1.00 0.00 C ATOM 90 O LYS A 5 6.773 2.972 -0.739 1.00 0.00 O ATOM 91 CB LYS A 5 5.935 0.178 0.950 1.00 0.00 C ATOM 92 CG LYS A 5 5.016 0.882 1.958 1.00 0.00 C ATOM 93 CD LYS A 5 5.508 2.241 2.475 1.00 0.00 C ATOM 94 CE LYS A 5 6.718 2.097 3.410 1.00 0.00 C ATOM 95 NZ LYS A 5 6.841 3.264 4.322 1.00 0.00 N ATOM 0 H LYS A 5 6.092 -1.267 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 5 4.924 1.328 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.684 -0.882 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.965 0.253 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.040 1.023 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.871 0.221 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.776 2.875 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.698 2.742 3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.620 1.184 3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.628 1.999 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.753 3.221 4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.789 4.143 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.067 3.245 5.016 1.00 0.00 H new ATOM 109 N ASN A 6 8.132 1.251 -1.230 1.00 0.00 N ATOM 110 CA ASN A 6 9.252 2.059 -1.722 1.00 0.00 C ATOM 111 C ASN A 6 9.043 2.535 -3.174 1.00 0.00 C ATOM 112 O ASN A 6 9.529 3.603 -3.537 1.00 0.00 O ATOM 113 CB ASN A 6 10.550 1.248 -1.577 1.00 0.00 C ATOM 114 CG ASN A 6 11.785 2.070 -1.942 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.045 3.124 -1.373 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.579 1.618 -2.897 1.00 0.00 N ATOM 0 H ASN A 6 8.323 0.249 -1.243 1.00 0.00 H new ATOM 0 HA ASN A 6 9.317 2.965 -1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.642 0.892 -0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.500 0.367 -2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.410 2.147 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.361 0.741 -3.369 1.00 0.00 H new ATOM 123 N PHE A 7 8.280 1.798 -3.992 1.00 0.00 N ATOM 124 CA PHE A 7 7.949 2.183 -5.368 1.00 0.00 C ATOM 125 C PHE A 7 7.101 3.457 -5.406 1.00 0.00 C ATOM 126 O PHE A 7 7.407 4.356 -6.187 1.00 0.00 O ATOM 127 CB PHE A 7 7.230 1.026 -6.072 1.00 0.00 C ATOM 128 CG PHE A 7 6.860 1.317 -7.513 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.792 1.097 -8.543 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.587 1.834 -7.821 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.450 1.389 -9.876 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.249 2.131 -9.152 1.00 0.00 C ATOM 133 CZ PHE A 7 6.178 1.903 -10.182 1.00 0.00 C ATOM 0 H PHE A 7 7.871 0.907 -3.712 1.00 0.00 H new ATOM 0 HA PHE A 7 8.877 2.398 -5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.868 0.143 -6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.324 0.783 -5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.771 0.704 -8.311 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.869 2.003 -7.032 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.166 1.218 -10.666 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.275 2.535 -9.384 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.915 2.122 -11.206 1.00 0.00 H new ATOM 143 N LEU A 8 6.086 3.576 -4.536 1.00 0.00 N ATOM 144 CA LEU A 8 5.293 4.804 -4.416 1.00 0.00 C ATOM 145 C LEU A 8 6.161 5.988 -3.969 1.00 0.00 C ATOM 146 O LEU A 8 6.081 7.071 -4.550 1.00 0.00 O ATOM 147 CB LEU A 8 4.108 4.560 -3.460 1.00 0.00 C ATOM 148 CG LEU A 8 3.133 5.755 -3.333 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.634 6.295 -4.685 1.00 0.00 C ATOM 150 CD2 LEU A 8 1.912 5.338 -2.499 1.00 0.00 C ATOM 0 H LEU A 8 5.796 2.831 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 8 4.894 5.068 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.552 3.688 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.498 4.318 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 8 3.697 6.554 -2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.955 7.131 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.484 6.633 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.109 5.505 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.227 6.181 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.404 4.507 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.238 5.030 -1.506 1.00 0.00 H new ATOM 162 N TYR A 9 7.040 5.773 -2.987 1.00 0.00 N ATOM 163 CA TYR A 9 7.960 6.799 -2.490 1.00 0.00 C ATOM 164 C TYR A 9 8.964 7.272 -3.562 1.00 0.00 C ATOM 165 O TYR A 9 9.188 8.473 -3.718 1.00 0.00 O ATOM 166 CB TYR A 9 8.675 6.256 -1.245 1.00 0.00 C ATOM 167 CG TYR A 9 9.529 7.283 -0.529 1.00 0.00 C ATOM 168 CD1 TYR A 9 8.960 8.102 0.466 1.00 0.00 C ATOM 169 CD2 TYR A 9 10.890 7.433 -0.866 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.742 9.073 1.120 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.676 8.404 -0.218 1.00 0.00 C ATOM 172 CZ TYR A 9 11.104 9.230 0.777 1.00 0.00 C ATOM 173 OH TYR A 9 11.870 10.168 1.403 1.00 0.00 O ATOM 0 H TYR A 9 7.134 4.876 -2.511 1.00 0.00 H new ATOM 0 HA TYR A 9 7.382 7.684 -2.226 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.930 5.870 -0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.304 5.415 -1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.919 7.984 0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.330 6.801 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.301 9.697 1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.717 8.518 -0.481 1.00 0.00 H new ATOM 0 HH TYR A 9 12.782 10.138 1.045 1.00 0.00 H new ATOM 183 N ALA A 10 9.525 6.341 -4.340 1.00 0.00 N ATOM 184 CA ALA A 10 10.450 6.625 -5.439 1.00 0.00 C ATOM 185 C ALA A 10 9.758 7.317 -6.625 1.00 0.00 C ATOM 186 O ALA A 10 10.310 8.258 -7.191 1.00 0.00 O ATOM 187 CB ALA A 10 11.117 5.309 -5.862 1.00 0.00 C ATOM 0 H ALA A 10 9.343 5.345 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 10 11.207 7.328 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.811 5.499 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.661 4.888 -5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.354 4.603 -6.190 1.00 0.00 H new ATOM 193 N TRP A 11 8.528 6.914 -6.964 1.00 0.00 N ATOM 194 CA TRP A 11 7.701 7.574 -7.979 1.00 0.00 C ATOM 195 C TRP A 11 7.404 9.029 -7.597 1.00 0.00 C ATOM 196 O TRP A 11 7.587 9.935 -8.410 1.00 0.00 O ATOM 197 CB TRP A 11 6.406 6.776 -8.159 1.00 0.00 C ATOM 198 CG TRP A 11 5.426 7.389 -9.110 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.363 7.175 -10.444 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.354 8.332 -8.809 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.335 7.925 -10.988 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.693 8.672 -10.024 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.870 8.930 -7.625 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.625 9.579 -10.062 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.790 9.830 -7.652 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.172 10.162 -8.868 1.00 0.00 C ATOM 0 H TRP A 11 8.073 6.108 -6.534 1.00 0.00 H new ATOM 0 HA TRP A 11 8.245 7.599 -8.923 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.657 5.775 -8.511 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.927 6.662 -7.187 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.016 6.519 -11.000 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.084 7.925 -11.977 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.338 8.692 -6.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.155 9.827 -11.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.434 10.269 -6.732 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.351 10.863 -8.885 1.00 0.00 H new ATOM 217 N CYS A 12 7.023 9.266 -6.336 1.00 0.00 N ATOM 218 CA CYS A 12 6.859 10.613 -5.780 1.00 0.00 C ATOM 219 C CYS A 12 8.162 11.432 -5.878 1.00 0.00 C ATOM 220 O CYS A 12 8.139 12.567 -6.357 1.00 0.00 O ATOM 221 CB CYS A 12 6.388 10.505 -4.323 1.00 0.00 C ATOM 222 SG CYS A 12 4.685 9.893 -4.205 1.00 0.00 S ATOM 0 H CYS A 12 6.819 8.522 -5.669 1.00 0.00 H new ATOM 0 HA CYS A 12 6.107 11.142 -6.366 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.052 9.837 -3.776 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.456 11.483 -3.846 1.00 0.00 H new ATOM 0 HG CYS A 12 4.682 8.597 -4.304 1.00 0.00 H new ATOM 228 N GLY A 13 9.302 10.842 -5.502 1.00 0.00 N ATOM 229 CA GLY A 13 10.617 11.501 -5.499 1.00 0.00 C ATOM 230 C GLY A 13 11.143 11.857 -6.893 1.00 0.00 C ATOM 231 O GLY A 13 11.857 12.847 -7.040 1.00 0.00 O ATOM 0 H GLY A 13 9.339 9.873 -5.184 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.553 12.412 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.337 10.848 -5.007 1.00 0.00 H new ATOM 235 N LYS A 14 10.733 11.123 -7.934 1.00 0.00 N ATOM 236 CA LYS A 14 11.040 11.429 -9.344 1.00 0.00 C ATOM 237 C LYS A 14 10.163 12.566 -9.913 1.00 0.00 C ATOM 238 O LYS A 14 10.414 13.055 -11.018 1.00 0.00 O ATOM 239 CB LYS A 14 10.908 10.135 -10.171 1.00 0.00 C ATOM 240 CG LYS A 14 12.073 9.164 -9.906 1.00 0.00 C ATOM 241 CD LYS A 14 11.853 7.780 -10.537 1.00 0.00 C ATOM 242 CE LYS A 14 11.779 7.847 -12.070 1.00 0.00 C ATOM 243 NZ LYS A 14 11.652 6.495 -12.676 1.00 0.00 N ATOM 0 H LYS A 14 10.167 10.282 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 14 12.064 11.798 -9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.965 9.645 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.876 10.384 -11.232 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.994 9.594 -10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.207 9.050 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.665 7.115 -10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.931 7.348 -10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.928 8.460 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.673 8.336 -12.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.605 6.582 -13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.477 5.918 -12.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.785 6.038 -12.327 1.00 0.00 H new ATOM 257 N ARG A 15 9.153 12.997 -9.145 1.00 0.00 N ATOM 258 CA ARG A 15 8.166 14.036 -9.471 1.00 0.00 C ATOM 259 C ARG A 15 8.201 15.224 -8.485 1.00 0.00 C ATOM 260 O ARG A 15 7.322 16.084 -8.531 1.00 0.00 O ATOM 261 CB ARG A 15 6.774 13.381 -9.512 1.00 0.00 C ATOM 262 CG ARG A 15 6.647 12.281 -10.584 1.00 0.00 C ATOM 263 CD ARG A 15 5.263 11.624 -10.592 1.00 0.00 C ATOM 264 NE ARG A 15 4.196 12.564 -10.996 1.00 0.00 N ATOM 265 CZ ARG A 15 3.338 12.421 -12.000 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.366 11.418 -12.849 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.387 13.301 -12.195 1.00 0.00 N ATOM 0 H ARG A 15 8.993 12.603 -8.218 1.00 0.00 H new ATOM 0 HA ARG A 15 8.412 14.460 -10.445 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.553 12.953 -8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.024 14.150 -9.700 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.847 12.711 -11.566 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.406 11.519 -10.409 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.271 10.773 -11.274 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.043 11.234 -9.598 1.00 0.00 H new ATOM 0 HE ARG A 15 4.109 13.417 -10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.076 10.692 -12.757 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.677 11.366 -13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.301 14.105 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.733 13.182 -12.969 1.00 0.00 H new ATOM 281 N LYS A 16 9.192 15.273 -7.580 1.00 0.00 N ATOM 282 CA LYS A 16 9.387 16.306 -6.537 1.00 0.00 C ATOM 283 C LYS A 16 8.280 16.311 -5.449 1.00 0.00 C ATOM 284 O LYS A 16 7.980 17.349 -4.854 1.00 0.00 O ATOM 285 CB LYS A 16 9.638 17.698 -7.166 1.00 0.00 C ATOM 286 CG LYS A 16 10.791 17.706 -8.186 1.00 0.00 C ATOM 287 CD LYS A 16 11.184 19.127 -8.629 1.00 0.00 C ATOM 288 CE LYS A 16 10.047 19.943 -9.268 1.00 0.00 C ATOM 289 NZ LYS A 16 9.591 19.374 -10.565 1.00 0.00 N ATOM 0 H LYS A 16 9.919 14.558 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 16 10.292 16.034 -5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.726 18.037 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.858 18.413 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.660 17.213 -7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.500 17.125 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.560 19.671 -7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.006 19.056 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.204 19.986 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.384 20.968 -9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.825 19.962 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.386 19.357 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.243 18.405 -10.416 1.00 0.00 H new ATOM 303 N MET A 17 7.664 15.151 -5.195 1.00 0.00 N ATOM 304 CA MET A 17 6.596 14.920 -4.207 1.00 0.00 C ATOM 305 C MET A 17 7.048 13.950 -3.099 1.00 0.00 C ATOM 306 O MET A 17 8.102 13.313 -3.207 1.00 0.00 O ATOM 307 CB MET A 17 5.355 14.353 -4.923 1.00 0.00 C ATOM 308 CG MET A 17 4.800 15.297 -5.995 1.00 0.00 C ATOM 309 SD MET A 17 3.205 14.804 -6.703 1.00 0.00 S ATOM 310 CE MET A 17 3.611 13.152 -7.323 1.00 0.00 C ATOM 0 H MET A 17 7.909 14.299 -5.700 1.00 0.00 H new ATOM 0 HA MET A 17 6.355 15.873 -3.736 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.612 13.399 -5.384 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.577 14.151 -4.186 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.696 16.292 -5.562 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.529 15.375 -6.801 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.757 12.748 -7.867 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.470 13.215 -7.991 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.850 12.497 -6.485 1.00 0.00 H new ATOM 320 N THR A 18 6.196 13.781 -2.079 1.00 0.00 N ATOM 321 CA THR A 18 6.361 12.838 -0.954 1.00 0.00 C ATOM 322 C THR A 18 4.984 12.262 -0.588 1.00 0.00 C ATOM 323 O THR A 18 4.044 13.054 -0.459 1.00 0.00 O ATOM 324 CB THR A 18 6.978 13.553 0.261 1.00 0.00 C ATOM 325 OG1 THR A 18 8.156 14.229 -0.125 1.00 0.00 O ATOM 326 CG2 THR A 18 7.365 12.573 1.372 1.00 0.00 C ATOM 0 H THR A 18 5.333 14.320 -2.008 1.00 0.00 H new ATOM 0 HA THR A 18 7.033 12.032 -1.249 1.00 0.00 H new ATOM 0 HB THR A 18 6.221 14.243 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.542 14.683 0.653 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.796 13.123 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.478 12.036 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.097 11.861 0.990 1.00 0.00 H new ATOM 334 N PRO A 19 4.825 10.930 -0.423 1.00 0.00 N ATOM 335 CA PRO A 19 3.562 10.324 -0.012 1.00 0.00 C ATOM 336 C PRO A 19 3.334 10.502 1.495 1.00 0.00 C ATOM 337 O PRO A 19 4.282 10.621 2.273 1.00 0.00 O ATOM 338 CB PRO A 19 3.682 8.846 -0.394 1.00 0.00 C ATOM 339 CG PRO A 19 5.173 8.573 -0.207 1.00 0.00 C ATOM 340 CD PRO A 19 5.831 9.892 -0.621 1.00 0.00 C ATOM 0 HA PRO A 19 2.706 10.792 -0.498 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.070 8.211 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.363 8.665 -1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.407 8.314 0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.510 7.743 -0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.718 10.090 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.153 9.856 -1.662 1.00 0.00 H new ATOM 348 N ALA A 20 2.065 10.487 1.909 1.00 0.00 N ATOM 349 CA ALA A 20 1.643 10.625 3.303 1.00 0.00 C ATOM 350 C ALA A 20 0.741 9.452 3.712 1.00 0.00 C ATOM 351 O ALA A 20 -0.359 9.287 3.183 1.00 0.00 O ATOM 352 CB ALA A 20 0.943 11.980 3.473 1.00 0.00 C ATOM 0 H ALA A 20 1.282 10.375 1.265 1.00 0.00 H new ATOM 0 HA ALA A 20 2.510 10.597 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.623 12.097 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.635 12.782 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.074 12.025 2.817 1.00 0.00 H new ATOM 358 N TYR A 21 1.219 8.648 4.666 1.00 0.00 N ATOM 359 CA TYR A 21 0.547 7.452 5.194 1.00 0.00 C ATOM 360 C TYR A 21 -0.136 7.716 6.553 1.00 0.00 C ATOM 361 O TYR A 21 0.259 8.617 7.300 1.00 0.00 O ATOM 362 CB TYR A 21 1.569 6.308 5.340 1.00 0.00 C ATOM 363 CG TYR A 21 2.136 5.747 4.046 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.237 6.367 3.420 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.588 4.575 3.487 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.774 5.831 2.235 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.122 4.032 2.303 1.00 0.00 C ATOM 368 CZ TYR A 21 3.213 4.666 1.667 1.00 0.00 C ATOM 369 OH TYR A 21 3.725 4.150 0.515 1.00 0.00 O ATOM 0 H TYR A 21 2.121 8.817 5.111 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.233 7.173 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.398 6.665 5.951 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.096 5.494 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.670 7.257 3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.753 4.090 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.616 6.311 1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.699 3.132 1.881 1.00 0.00 H new ATOM 0 HH TYR A 21 4.682 4.354 0.462 1.00 0.00 H new ATOM 379 N GLU A 22 -1.118 6.884 6.907 1.00 0.00 N ATOM 380 CA GLU A 22 -1.780 6.848 8.216 1.00 0.00 C ATOM 381 C GLU A 22 -2.181 5.404 8.561 1.00 0.00 C ATOM 382 O GLU A 22 -2.454 4.609 7.662 1.00 0.00 O ATOM 383 CB GLU A 22 -2.985 7.810 8.213 1.00 0.00 C ATOM 384 CG GLU A 22 -3.713 7.934 9.559 1.00 0.00 C ATOM 385 CD GLU A 22 -2.783 8.414 10.685 1.00 0.00 C ATOM 386 OE1 GLU A 22 -2.079 7.567 11.284 1.00 0.00 O ATOM 387 OE2 GLU A 22 -2.754 9.633 10.974 1.00 0.00 O ATOM 0 H GLU A 22 -1.491 6.187 6.263 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.094 7.185 8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.642 8.799 7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.698 7.475 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.545 8.631 9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.138 6.968 9.830 1.00 0.00 H new ATOM 394 N ILE A 23 -2.187 5.043 9.850 1.00 0.00 N ATOM 395 CA ILE A 23 -2.328 3.658 10.347 1.00 0.00 C ATOM 396 C ILE A 23 -3.304 3.583 11.537 1.00 0.00 C ATOM 397 O ILE A 23 -3.351 4.487 12.377 1.00 0.00 O ATOM 398 CB ILE A 23 -0.926 3.077 10.695 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.052 2.975 9.420 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.014 1.703 11.392 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.356 2.410 9.636 1.00 0.00 C ATOM 0 H ILE A 23 -2.091 5.724 10.604 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.761 3.042 9.559 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.461 3.767 11.399 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.570 2.349 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.036 3.968 8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.009 1.342 11.613 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.577 1.801 12.320 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.518 0.994 10.736 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.886 2.380 8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.900 3.046 10.334 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.285 1.402 10.044 1.00 0.00 H new ATOM 413 N ARG A 24 -4.057 2.478 11.624 1.00 0.00 N ATOM 414 CA ARG A 24 -4.996 2.142 12.706 1.00 0.00 C ATOM 415 C ARG A 24 -4.795 0.688 13.152 1.00 0.00 C ATOM 416 O ARG A 24 -4.639 -0.199 12.316 1.00 0.00 O ATOM 417 CB ARG A 24 -6.433 2.352 12.197 1.00 0.00 C ATOM 418 CG ARG A 24 -7.502 2.160 13.284 1.00 0.00 C ATOM 419 CD ARG A 24 -8.914 2.307 12.706 1.00 0.00 C ATOM 420 NE ARG A 24 -9.933 2.011 13.728 1.00 0.00 N ATOM 421 CZ ARG A 24 -11.245 1.936 13.535 1.00 0.00 C ATOM 422 NH1 ARG A 24 -11.790 2.145 12.354 1.00 0.00 N ATOM 423 NH2 ARG A 24 -12.037 1.646 14.544 1.00 0.00 N ATOM 0 H ARG A 24 -4.027 1.756 10.904 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.814 2.788 13.565 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.521 3.357 11.785 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.627 1.656 11.381 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.392 1.174 13.736 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.353 2.892 14.077 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.054 3.320 12.330 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.036 1.633 11.858 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.598 1.848 14.677 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.200 2.372 11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.802 2.079 12.240 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.643 1.480 15.470 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.045 1.587 14.401 1.00 0.00 H new ATOM 561 N LYS A 33 -4.452 -6.805 14.393 1.00 0.00 N ATOM 562 CA LYS A 33 -4.219 -6.469 12.985 1.00 0.00 C ATOM 563 C LYS A 33 -4.095 -4.945 12.802 1.00 0.00 C ATOM 564 O LYS A 33 -4.446 -4.167 13.698 1.00 0.00 O ATOM 565 CB LYS A 33 -5.381 -7.032 12.141 1.00 0.00 C ATOM 566 CG LYS A 33 -5.266 -8.544 11.901 1.00 0.00 C ATOM 567 CD LYS A 33 -6.407 -9.045 11.005 1.00 0.00 C ATOM 568 CE LYS A 33 -6.270 -10.557 10.778 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.366 -11.086 9.924 1.00 0.00 N ATOM 0 HA LYS A 33 -3.281 -6.915 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.325 -6.820 12.643 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.408 -6.518 11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.307 -8.770 11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.290 -9.070 12.855 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.368 -8.824 11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.386 -8.522 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.309 -10.769 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.277 -11.071 11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.240 -12.110 9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.282 -10.906 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.344 -10.613 8.998 1.00 0.00 H new ATOM 583 N PHE A 34 -3.640 -4.512 11.627 1.00 0.00 N ATOM 584 CA PHE A 34 -3.427 -3.109 11.277 1.00 0.00 C ATOM 585 C PHE A 34 -4.063 -2.775 9.927 1.00 0.00 C ATOM 586 O PHE A 34 -3.940 -3.534 8.965 1.00 0.00 O ATOM 587 CB PHE A 34 -1.922 -2.804 11.266 1.00 0.00 C ATOM 588 CG PHE A 34 -1.237 -3.061 12.595 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.337 -2.119 13.636 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.528 -4.258 12.800 1.00 0.00 C ATOM 591 CE1 PHE A 34 -0.719 -2.372 14.874 1.00 0.00 C ATOM 592 CE2 PHE A 34 0.099 -4.505 14.033 1.00 0.00 C ATOM 593 CZ PHE A 34 0.009 -3.560 15.069 1.00 0.00 C ATOM 0 H PHE A 34 -3.402 -5.150 10.867 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.910 -2.483 12.027 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.443 -3.411 10.497 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.774 -1.761 10.987 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.888 -1.203 13.484 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.465 -4.989 12.008 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.803 -1.653 15.676 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.650 -5.421 14.184 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.498 -3.745 16.014 1.00 0.00 H new ATOM 603 N MET A 35 -4.713 -1.615 9.857 1.00 0.00 N ATOM 604 CA MET A 35 -5.217 -0.985 8.633 1.00 0.00 C ATOM 605 C MET A 35 -4.364 0.242 8.305 1.00 0.00 C ATOM 606 O MET A 35 -3.785 0.857 9.202 1.00 0.00 O ATOM 607 CB MET A 35 -6.690 -0.573 8.786 1.00 0.00 C ATOM 608 CG MET A 35 -7.579 -1.716 9.287 1.00 0.00 C ATOM 609 SD MET A 35 -9.359 -1.390 9.197 1.00 0.00 S ATOM 610 CE MET A 35 -9.615 -1.614 7.418 1.00 0.00 C ATOM 0 H MET A 35 -4.913 -1.061 10.690 1.00 0.00 H new ATOM 0 HA MET A 35 -5.153 -1.708 7.820 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.758 0.265 9.480 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.066 -0.222 7.825 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.358 -2.611 8.705 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.316 -1.935 10.322 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.178 -0.769 7.022 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.649 -1.674 6.916 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.172 -2.535 7.244 1.00 0.00 H new ATOM 620 N CYS A 36 -4.301 0.617 7.030 1.00 0.00 N ATOM 621 CA CYS A 36 -3.484 1.724 6.542 1.00 0.00 C ATOM 622 C CYS A 36 -4.162 2.466 5.382 1.00 0.00 C ATOM 623 O CYS A 36 -4.880 1.871 4.576 1.00 0.00 O ATOM 624 CB CYS A 36 -2.101 1.165 6.175 1.00 0.00 C ATOM 625 SG CYS A 36 -0.975 2.522 5.743 1.00 0.00 S ATOM 0 H CYS A 36 -4.828 0.150 6.292 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.365 2.477 7.321 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.695 0.598 7.013 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.190 0.475 5.336 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.319 3.595 6.392 1.00 0.00 H new ATOM 631 N GLU A 37 -3.913 3.769 5.312 1.00 0.00 N ATOM 632 CA GLU A 37 -4.380 4.694 4.284 1.00 0.00 C ATOM 633 C GLU A 37 -3.178 5.490 3.752 1.00 0.00 C ATOM 634 O GLU A 37 -2.261 5.792 4.519 1.00 0.00 O ATOM 635 CB GLU A 37 -5.418 5.665 4.876 1.00 0.00 C ATOM 636 CG GLU A 37 -6.676 4.976 5.422 1.00 0.00 C ATOM 637 CD GLU A 37 -7.657 6.008 6.002 1.00 0.00 C ATOM 638 OE1 GLU A 37 -8.325 6.724 5.220 1.00 0.00 O ATOM 639 OE2 GLU A 37 -7.769 6.107 7.248 1.00 0.00 O ATOM 0 H GLU A 37 -3.343 4.238 6.016 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.847 4.133 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.951 6.235 5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.712 6.380 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.162 4.413 4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.397 4.259 6.194 1.00 0.00 H new ATOM 646 N VAL A 38 -3.181 5.857 2.467 1.00 0.00 N ATOM 647 CA VAL A 38 -2.117 6.669 1.842 1.00 0.00 C ATOM 648 C VAL A 38 -2.669 7.649 0.802 1.00 0.00 C ATOM 649 O VAL A 38 -3.606 7.331 0.068 1.00 0.00 O ATOM 650 CB VAL A 38 -0.987 5.787 1.256 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.427 4.993 0.019 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.261 6.609 0.885 1.00 0.00 C ATOM 0 H VAL A 38 -3.926 5.599 1.820 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.677 7.270 2.637 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.741 5.087 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.592 4.395 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.256 4.336 0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.746 5.683 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.025 5.947 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.005 7.357 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.647 7.106 1.775 1.00 0.00 H new ATOM 662 N ARG A 39 -2.064 8.839 0.752 1.00 0.00 N ATOM 663 CA ARG A 39 -2.376 9.944 -0.164 1.00 0.00 C ATOM 664 C ARG A 39 -1.084 10.605 -0.680 1.00 0.00 C ATOM 665 O ARG A 39 -0.009 10.417 -0.109 1.00 0.00 O ATOM 666 CB ARG A 39 -3.254 10.984 0.562 1.00 0.00 C ATOM 667 CG ARG A 39 -4.636 10.438 0.964 1.00 0.00 C ATOM 668 CD ARG A 39 -5.538 11.512 1.584 1.00 0.00 C ATOM 669 NE ARG A 39 -5.011 11.992 2.878 1.00 0.00 N ATOM 670 CZ ARG A 39 -4.449 13.168 3.141 1.00 0.00 C ATOM 671 NH1 ARG A 39 -4.300 14.102 2.223 1.00 0.00 N ATOM 672 NH2 ARG A 39 -4.015 13.422 4.356 1.00 0.00 N ATOM 0 H ARG A 39 -1.299 9.072 1.385 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.920 9.548 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.733 11.329 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.387 11.852 -0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.127 10.020 0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.507 9.622 1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.629 12.352 0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.540 11.107 1.727 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.087 11.345 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.621 13.936 1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.863 14.991 2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.111 12.719 5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.583 14.322 4.565 1.00 0.00 H new ATOM 686 N VAL A 40 -1.200 11.410 -1.737 1.00 0.00 N ATOM 687 CA VAL A 40 -0.115 12.219 -2.331 1.00 0.00 C ATOM 688 C VAL A 40 -0.686 13.596 -2.691 1.00 0.00 C ATOM 689 O VAL A 40 -1.804 13.686 -3.198 1.00 0.00 O ATOM 690 CB VAL A 40 0.497 11.541 -3.585 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.655 12.369 -4.168 1.00 0.00 C ATOM 692 CG2 VAL A 40 1.035 10.130 -3.288 1.00 0.00 C ATOM 0 H VAL A 40 -2.086 11.527 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 40 0.692 12.317 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.320 11.474 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.059 11.863 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.289 13.355 -4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.439 12.477 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.452 9.700 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.812 10.190 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.222 9.499 -2.928 1.00 0.00 H new ATOM 702 N GLU A 41 0.065 14.664 -2.401 1.00 0.00 N ATOM 703 CA GLU A 41 -0.349 16.051 -2.648 1.00 0.00 C ATOM 704 C GLU A 41 -0.664 16.292 -4.138 1.00 0.00 C ATOM 705 O GLU A 41 0.132 15.960 -5.018 1.00 0.00 O ATOM 706 CB GLU A 41 0.742 17.007 -2.136 1.00 0.00 C ATOM 707 CG GLU A 41 0.305 18.476 -2.191 1.00 0.00 C ATOM 708 CD GLU A 41 1.369 19.392 -1.568 1.00 0.00 C ATOM 709 OE1 GLU A 41 1.306 19.653 -0.343 1.00 0.00 O ATOM 710 OE2 GLU A 41 2.269 19.869 -2.300 1.00 0.00 O ATOM 0 H GLU A 41 0.992 14.589 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.272 16.247 -2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.998 16.745 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.645 16.877 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.130 18.768 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.640 18.598 -1.661 1.00 0.00 H new ATOM 717 N GLY A 42 -1.841 16.867 -4.418 1.00 0.00 N ATOM 718 CA GLY A 42 -2.344 17.126 -5.777 1.00 0.00 C ATOM 719 C GLY A 42 -3.255 16.027 -6.342 1.00 0.00 C ATOM 720 O GLY A 42 -3.737 16.174 -7.467 1.00 0.00 O ATOM 0 H GLY A 42 -2.486 17.173 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.892 18.068 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.494 17.254 -6.447 1.00 0.00 H new ATOM 724 N PHE A 43 -3.526 14.961 -5.577 1.00 0.00 N ATOM 725 CA PHE A 43 -4.421 13.858 -5.946 1.00 0.00 C ATOM 726 C PHE A 43 -5.520 13.683 -4.886 1.00 0.00 C ATOM 727 O PHE A 43 -5.237 13.596 -3.690 1.00 0.00 O ATOM 728 CB PHE A 43 -3.603 12.567 -6.123 1.00 0.00 C ATOM 729 CG PHE A 43 -2.549 12.645 -7.214 1.00 0.00 C ATOM 730 CD1 PHE A 43 -1.248 13.086 -6.905 1.00 0.00 C ATOM 731 CD2 PHE A 43 -2.875 12.313 -8.544 1.00 0.00 C ATOM 732 CE1 PHE A 43 -0.285 13.203 -7.920 1.00 0.00 C ATOM 733 CE2 PHE A 43 -1.905 12.422 -9.557 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.609 12.868 -9.246 1.00 0.00 C ATOM 0 H PHE A 43 -3.113 14.840 -4.652 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.910 14.089 -6.893 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.115 12.326 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.284 11.746 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.991 13.335 -5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.871 11.974 -8.786 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.709 13.552 -7.681 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.156 12.163 -10.575 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.136 12.953 -10.024 1.00 0.00 H new ATOM 744 N ASN A 44 -6.780 13.626 -5.331 1.00 0.00 N ATOM 745 CA ASN A 44 -7.955 13.546 -4.449 1.00 0.00 C ATOM 746 C ASN A 44 -8.286 12.112 -3.979 1.00 0.00 C ATOM 747 O ASN A 44 -9.090 11.930 -3.063 1.00 0.00 O ATOM 748 CB ASN A 44 -9.163 14.179 -5.164 1.00 0.00 C ATOM 749 CG ASN A 44 -8.967 15.664 -5.463 1.00 0.00 C ATOM 750 OD1 ASN A 44 -8.552 16.447 -4.616 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.258 16.099 -6.678 1.00 0.00 N ATOM 0 H ASN A 44 -7.018 13.634 -6.323 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.716 14.099 -3.541 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.346 13.647 -6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.052 14.052 -4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.137 17.085 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.603 15.448 -7.384 1.00 0.00 H new ATOM 758 N TYR A 45 -7.668 11.090 -4.583 1.00 0.00 N ATOM 759 CA TYR A 45 -7.820 9.682 -4.198 1.00 0.00 C ATOM 760 C TYR A 45 -7.073 9.338 -2.893 1.00 0.00 C ATOM 761 O TYR A 45 -6.103 10.004 -2.520 1.00 0.00 O ATOM 762 CB TYR A 45 -7.345 8.800 -5.362 1.00 0.00 C ATOM 763 CG TYR A 45 -7.696 7.332 -5.214 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.026 6.914 -5.415 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.713 6.388 -4.854 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.377 5.560 -5.263 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.057 5.031 -4.696 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.390 4.613 -4.906 1.00 0.00 C ATOM 769 OH TYR A 45 -8.721 3.298 -4.781 1.00 0.00 O ATOM 0 H TYR A 45 -7.034 11.222 -5.371 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.874 9.492 -3.993 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.781 9.175 -6.288 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.263 8.895 -5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.781 7.637 -5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.693 6.706 -4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.398 5.245 -5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.303 4.311 -4.415 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.926 2.783 -4.532 1.00 0.00 H new ATOM 779 N ALA A 46 -7.504 8.269 -2.218 1.00 0.00 N ATOM 780 CA ALA A 46 -6.817 7.675 -1.072 1.00 0.00 C ATOM 781 C ALA A 46 -6.780 6.145 -1.219 1.00 0.00 C ATOM 782 O ALA A 46 -7.827 5.496 -1.282 1.00 0.00 O ATOM 783 CB ALA A 46 -7.519 8.124 0.217 1.00 0.00 C ATOM 0 H ALA A 46 -8.365 7.780 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.782 8.015 -1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.014 7.686 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.485 9.211 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.558 7.794 0.199 1.00 0.00 H new ATOM 789 N GLY A 47 -5.569 5.579 -1.274 1.00 0.00 N ATOM 790 CA GLY A 47 -5.337 4.133 -1.333 1.00 0.00 C ATOM 791 C GLY A 47 -5.388 3.533 0.065 1.00 0.00 C ATOM 792 O GLY A 47 -4.951 4.172 1.025 1.00 0.00 O ATOM 0 H GLY A 47 -4.707 6.124 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.089 3.662 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.367 3.932 -1.788 1.00 0.00 H new ATOM 796 N MET A 48 -5.925 2.318 0.187 1.00 0.00 N ATOM 797 CA MET A 48 -6.243 1.679 1.471 1.00 0.00 C ATOM 798 C MET A 48 -5.875 0.191 1.482 1.00 0.00 C ATOM 799 O MET A 48 -6.046 -0.514 0.485 1.00 0.00 O ATOM 800 CB MET A 48 -7.738 1.854 1.787 1.00 0.00 C ATOM 801 CG MET A 48 -8.165 3.327 1.854 1.00 0.00 C ATOM 802 SD MET A 48 -9.837 3.611 2.494 1.00 0.00 S ATOM 803 CE MET A 48 -10.810 2.959 1.112 1.00 0.00 C ATOM 0 H MET A 48 -6.157 1.737 -0.618 1.00 0.00 H new ATOM 0 HA MET A 48 -5.644 2.169 2.239 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.328 1.344 1.025 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.962 1.372 2.739 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.456 3.867 2.481 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.097 3.755 0.854 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.871 3.104 1.314 1.00 0.00 H new ATOM 0 HE2 MET A 48 -10.540 3.485 0.197 1.00 0.00 H new ATOM 0 HE3 MET A 48 -10.605 1.895 0.993 1.00 0.00 H new ATOM 813 N GLY A 49 -5.366 -0.286 2.621 1.00 0.00 N ATOM 814 CA GLY A 49 -4.954 -1.676 2.842 1.00 0.00 C ATOM 815 C GLY A 49 -5.041 -2.109 4.303 1.00 0.00 C ATOM 816 O GLY A 49 -5.293 -1.299 5.193 1.00 0.00 O ATOM 0 H GLY A 49 -5.224 0.303 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.580 -2.333 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.929 -1.803 2.493 1.00 0.00 H new ATOM 820 N ASN A 50 -4.815 -3.398 4.554 1.00 0.00 N ATOM 821 CA ASN A 50 -4.738 -3.985 5.897 1.00 0.00 C ATOM 822 C ASN A 50 -3.900 -5.277 5.915 1.00 0.00 C ATOM 823 O ASN A 50 -3.706 -5.900 4.870 1.00 0.00 O ATOM 824 CB ASN A 50 -6.153 -4.199 6.472 1.00 0.00 C ATOM 825 CG ASN A 50 -6.931 -5.300 5.754 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.794 -6.479 6.057 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.771 -4.950 4.795 1.00 0.00 N ATOM 0 H ASN A 50 -4.676 -4.083 3.811 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.218 -3.279 6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.075 -4.448 7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.711 -3.265 6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.309 -5.663 4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.881 -3.967 4.547 1.00 0.00 H new ATOM 834 N SER A 51 -3.404 -5.675 7.088 1.00 0.00 N ATOM 835 CA SER A 51 -2.618 -6.902 7.311 1.00 0.00 C ATOM 836 C SER A 51 -2.408 -7.192 8.815 1.00 0.00 C ATOM 837 O SER A 51 -2.914 -6.467 9.675 1.00 0.00 O ATOM 838 CB SER A 51 -1.267 -6.808 6.579 1.00 0.00 C ATOM 839 OG SER A 51 -0.696 -8.098 6.445 1.00 0.00 O ATOM 0 H SER A 51 -3.540 -5.136 7.943 1.00 0.00 H new ATOM 0 HA SER A 51 -3.186 -7.737 6.902 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.408 -6.360 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.589 -6.157 7.132 1.00 0.00 H new ATOM 0 HG SER A 51 -0.026 -8.087 5.730 1.00 0.00 H new ATOM 845 N THR A 52 -1.636 -8.235 9.146 1.00 0.00 N ATOM 846 CA THR A 52 -1.194 -8.580 10.512 1.00 0.00 C ATOM 847 C THR A 52 0.010 -7.762 10.985 1.00 0.00 C ATOM 848 O THR A 52 0.360 -7.827 12.163 1.00 0.00 O ATOM 849 CB THR A 52 -0.878 -10.079 10.612 1.00 0.00 C ATOM 850 OG1 THR A 52 0.023 -10.433 9.584 1.00 0.00 O ATOM 851 CG2 THR A 52 -2.140 -10.937 10.481 1.00 0.00 C ATOM 0 H THR A 52 -1.286 -8.889 8.446 1.00 0.00 H new ATOM 0 HA THR A 52 -2.025 -8.330 11.172 1.00 0.00 H new ATOM 0 HB THR A 52 -0.441 -10.264 11.593 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.229 -11.389 9.645 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.873 -11.991 10.557 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.838 -10.681 11.278 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.608 -10.750 9.515 1.00 0.00 H new ATOM 859 N ASN A 53 0.622 -6.965 10.102 1.00 0.00 N ATOM 860 CA ASN A 53 1.762 -6.090 10.396 1.00 0.00 C ATOM 861 C ASN A 53 1.671 -4.756 9.632 1.00 0.00 C ATOM 862 O ASN A 53 1.138 -4.679 8.524 1.00 0.00 O ATOM 863 CB ASN A 53 3.069 -6.837 10.079 1.00 0.00 C ATOM 864 CG ASN A 53 4.328 -6.064 10.468 1.00 0.00 C ATOM 865 OD1 ASN A 53 4.363 -5.333 11.450 1.00 0.00 O ATOM 866 ND2 ASN A 53 5.390 -6.177 9.690 1.00 0.00 N ATOM 0 H ASN A 53 0.326 -6.910 9.127 1.00 0.00 H new ATOM 0 HA ASN A 53 1.746 -5.837 11.456 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.066 -7.794 10.600 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.103 -7.055 9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.239 -5.655 9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.361 -6.786 8.872 1.00 0.00 H new ATOM 873 N LYS A 54 2.236 -3.701 10.221 1.00 0.00 N ATOM 874 CA LYS A 54 2.164 -2.318 9.725 1.00 0.00 C ATOM 875 C LYS A 54 2.843 -2.112 8.360 1.00 0.00 C ATOM 876 O LYS A 54 2.378 -1.299 7.561 1.00 0.00 O ATOM 877 CB LYS A 54 2.779 -1.375 10.777 1.00 0.00 C ATOM 878 CG LYS A 54 1.950 -1.296 12.068 1.00 0.00 C ATOM 879 CD LYS A 54 2.569 -0.281 13.038 1.00 0.00 C ATOM 880 CE LYS A 54 1.749 -0.211 14.332 1.00 0.00 C ATOM 881 NZ LYS A 54 2.333 0.752 15.303 1.00 0.00 N ATOM 0 H LYS A 54 2.774 -3.784 11.084 1.00 0.00 H new ATOM 0 HA LYS A 54 1.110 -2.088 9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.786 -1.716 11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.874 -0.376 10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.926 -1.007 11.833 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.904 -2.278 12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.596 -0.565 13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.607 0.703 12.570 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.726 0.083 14.099 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.700 -1.201 14.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.751 0.772 16.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.301 0.457 15.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.356 1.701 14.879 1.00 0.00 H new ATOM 895 N LYS A 55 3.916 -2.849 8.056 1.00 0.00 N ATOM 896 CA LYS A 55 4.633 -2.735 6.774 1.00 0.00 C ATOM 897 C LYS A 55 3.828 -3.311 5.605 1.00 0.00 C ATOM 898 O LYS A 55 3.705 -2.674 4.562 1.00 0.00 O ATOM 899 CB LYS A 55 5.995 -3.430 6.901 1.00 0.00 C ATOM 900 CG LYS A 55 6.870 -3.176 5.660 1.00 0.00 C ATOM 901 CD LYS A 55 8.235 -3.871 5.762 1.00 0.00 C ATOM 902 CE LYS A 55 9.073 -3.668 4.488 1.00 0.00 C ATOM 903 NZ LYS A 55 8.535 -4.428 3.327 1.00 0.00 N ATOM 0 H LYS A 55 4.315 -3.542 8.689 1.00 0.00 H new ATOM 0 HA LYS A 55 4.778 -1.678 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.509 -3.068 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.848 -4.502 7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.349 -3.531 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.019 -2.103 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.779 -3.480 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.089 -4.937 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.103 -2.607 4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.100 -3.980 4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.171 -4.313 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.467 -5.436 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.591 -4.067 3.083 1.00 0.00 H new ATOM 917 N ASP A 56 3.238 -4.491 5.788 1.00 0.00 N ATOM 918 CA ASP A 56 2.407 -5.129 4.763 1.00 0.00 C ATOM 919 C ASP A 56 1.051 -4.419 4.618 1.00 0.00 C ATOM 920 O ASP A 56 0.493 -4.375 3.524 1.00 0.00 O ATOM 921 CB ASP A 56 2.259 -6.616 5.096 1.00 0.00 C ATOM 922 CG ASP A 56 1.659 -7.412 3.924 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.340 -7.543 2.880 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.529 -7.930 4.073 1.00 0.00 O ATOM 0 H ASP A 56 3.321 -5.032 6.648 1.00 0.00 H new ATOM 0 HA ASP A 56 2.893 -5.041 3.791 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.235 -7.029 5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.624 -6.729 5.974 1.00 0.00 H new ATOM 929 N ALA A 57 0.575 -3.763 5.685 1.00 0.00 N ATOM 930 CA ALA A 57 -0.605 -2.891 5.624 1.00 0.00 C ATOM 931 C ALA A 57 -0.330 -1.629 4.782 1.00 0.00 C ATOM 932 O ALA A 57 -1.118 -1.307 3.892 1.00 0.00 O ATOM 933 CB ALA A 57 -1.065 -2.557 7.051 1.00 0.00 C ATOM 0 H ALA A 57 0.996 -3.822 6.612 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.416 -3.416 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.941 -1.910 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.319 -3.478 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.262 -2.046 7.582 1.00 0.00 H new ATOM 939 N GLN A 58 0.813 -0.965 5.004 1.00 0.00 N ATOM 940 CA GLN A 58 1.286 0.137 4.157 1.00 0.00 C ATOM 941 C GLN A 58 1.539 -0.316 2.717 1.00 0.00 C ATOM 942 O GLN A 58 1.191 0.405 1.789 1.00 0.00 O ATOM 943 CB GLN A 58 2.593 0.723 4.708 1.00 0.00 C ATOM 944 CG GLN A 58 2.445 1.608 5.948 1.00 0.00 C ATOM 945 CD GLN A 58 3.819 1.924 6.537 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.571 2.755 6.040 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.218 1.239 7.588 1.00 0.00 N ATOM 0 H GLN A 58 1.438 -1.179 5.781 1.00 0.00 H new ATOM 0 HA GLN A 58 0.498 0.891 4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.267 -0.099 4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.070 1.307 3.921 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.933 2.533 5.684 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.829 1.104 6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.600 0.545 8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.145 1.402 7.981 1.00 0.00 H new ATOM 956 N SER A 59 2.111 -1.501 2.506 1.00 0.00 N ATOM 957 CA SER A 59 2.364 -2.039 1.160 1.00 0.00 C ATOM 958 C SER A 59 1.058 -2.291 0.392 1.00 0.00 C ATOM 959 O SER A 59 0.971 -2.004 -0.803 1.00 0.00 O ATOM 960 CB SER A 59 3.180 -3.338 1.242 1.00 0.00 C ATOM 961 OG SER A 59 4.454 -3.126 1.838 1.00 0.00 O ATOM 0 H SER A 59 2.414 -2.118 3.259 1.00 0.00 H new ATOM 0 HA SER A 59 2.936 -1.289 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.627 -4.078 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.311 -3.748 0.241 1.00 0.00 H new ATOM 0 HG SER A 59 4.342 -2.953 2.796 1.00 0.00 H new ATOM 967 N ASN A 60 0.007 -2.750 1.080 1.00 0.00 N ATOM 968 CA ASN A 60 -1.318 -2.938 0.489 1.00 0.00 C ATOM 969 C ASN A 60 -2.006 -1.589 0.194 1.00 0.00 C ATOM 970 O ASN A 60 -2.610 -1.433 -0.869 1.00 0.00 O ATOM 971 CB ASN A 60 -2.162 -3.858 1.394 1.00 0.00 C ATOM 972 CG ASN A 60 -1.674 -5.312 1.398 1.00 0.00 C ATOM 973 OD1 ASN A 60 -1.015 -5.784 0.476 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.999 -6.085 2.421 1.00 0.00 N ATOM 0 H ASN A 60 0.054 -3.002 2.067 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.212 -3.429 -0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.143 -3.472 2.413 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.200 -3.831 1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.702 -7.061 2.437 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.546 -5.705 3.194 1.00 0.00 H new ATOM 981 N ALA A 61 -1.849 -0.583 1.068 1.00 0.00 N ATOM 982 CA ALA A 61 -2.331 0.781 0.823 1.00 0.00 C ATOM 983 C ALA A 61 -1.603 1.452 -0.356 1.00 0.00 C ATOM 984 O ALA A 61 -2.244 2.058 -1.214 1.00 0.00 O ATOM 985 CB ALA A 61 -2.181 1.596 2.116 1.00 0.00 C ATOM 0 H ALA A 61 -1.382 -0.695 1.968 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.382 0.738 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.536 2.613 1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.769 1.133 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.132 1.622 2.410 1.00 0.00 H new ATOM 991 N ALA A 62 -0.279 1.283 -0.438 1.00 0.00 N ATOM 992 CA ALA A 62 0.553 1.770 -1.535 1.00 0.00 C ATOM 993 C ALA A 62 0.159 1.123 -2.866 1.00 0.00 C ATOM 994 O ALA A 62 -0.079 1.842 -3.840 1.00 0.00 O ATOM 995 CB ALA A 62 2.022 1.517 -1.182 1.00 0.00 C ATOM 0 H ALA A 62 0.254 0.790 0.278 1.00 0.00 H new ATOM 0 HA ALA A 62 0.399 2.841 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.658 1.875 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.272 2.047 -0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.183 0.448 -1.040 1.00 0.00 H new ATOM 1001 N ARG A 63 -0.001 -0.208 -2.905 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.460 -0.912 -4.105 1.00 0.00 C ATOM 1003 C ARG A 63 -1.823 -0.397 -4.575 1.00 0.00 C ATOM 1004 O ARG A 63 -2.002 -0.174 -5.768 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.494 -2.434 -3.859 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.805 -3.244 -5.131 1.00 0.00 C ATOM 1007 CD ARG A 63 0.256 -3.140 -6.244 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.367 -3.262 -7.572 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.002 -4.027 -8.592 1.00 0.00 C ATOM 1010 NH1 ARG A 63 1.065 -4.797 -8.571 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.742 -4.001 -9.678 1.00 0.00 N ATOM 0 H ARG A 63 0.183 -0.820 -2.110 1.00 0.00 H new ATOM 0 HA ARG A 63 0.253 -0.710 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.468 -2.753 -3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.245 -2.657 -3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.921 -4.293 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.763 -2.911 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.777 -2.186 -6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.004 -3.923 -6.115 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.190 -2.680 -7.729 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.657 -4.825 -7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.300 -5.366 -9.385 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.569 -3.405 -9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.490 -4.577 -10.481 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.754 -0.131 -3.658 1.00 0.00 N ATOM 1026 CA ASP A 64 -4.085 0.396 -3.977 1.00 0.00 C ATOM 1027 C ASP A 64 -4.050 1.842 -4.519 1.00 0.00 C ATOM 1028 O ASP A 64 -4.848 2.189 -5.389 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.966 0.260 -2.728 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.456 0.502 -3.009 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -7.021 -0.189 -3.890 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -7.056 1.346 -2.305 1.00 0.00 O ATOM 0 H ASP A 64 -2.605 -0.277 -2.660 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.511 -0.189 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.839 -0.738 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.626 0.968 -1.972 1.00 0.00 H new ATOM 1037 N PHE A 65 -3.079 2.664 -4.087 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.845 3.999 -4.651 1.00 0.00 C ATOM 1039 C PHE A 65 -2.106 3.945 -5.998 1.00 0.00 C ATOM 1040 O PHE A 65 -2.471 4.667 -6.922 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.091 4.873 -3.638 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.079 6.346 -4.008 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.115 7.193 -3.567 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -1.058 6.872 -4.821 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.138 8.546 -3.945 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.078 8.228 -5.192 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.123 9.064 -4.763 1.00 0.00 C ATOM 0 H PHE A 65 -2.434 2.419 -3.335 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.818 4.448 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.549 4.756 -2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.064 4.518 -3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.897 6.800 -2.934 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.257 6.232 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.938 9.188 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.287 8.629 -5.809 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.145 10.102 -5.062 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.113 3.066 -6.154 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.412 2.862 -7.440 1.00 0.00 C ATOM 1059 C VAL A 66 -1.371 2.313 -8.502 1.00 0.00 C ATOM 1060 O VAL A 66 -1.343 2.757 -9.647 1.00 0.00 O ATOM 1061 CB VAL A 66 0.819 1.943 -7.290 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.476 1.620 -8.641 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.876 2.620 -6.408 1.00 0.00 C ATOM 0 H VAL A 66 -0.767 2.473 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.051 3.837 -7.767 1.00 0.00 H new ATOM 0 HB VAL A 66 0.461 1.017 -6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.337 0.971 -8.481 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.756 1.115 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.802 2.545 -9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.741 1.964 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.184 3.560 -6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.455 2.818 -5.422 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.284 1.425 -8.108 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.384 0.965 -8.966 1.00 0.00 C ATOM 1075 C ASN A 67 -4.242 2.143 -9.474 1.00 0.00 C ATOM 1076 O ASN A 67 -4.526 2.214 -10.668 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.256 -0.072 -8.233 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.614 -1.450 -8.064 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.619 -1.804 -8.689 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -4.191 -2.288 -7.222 1.00 0.00 N ATOM 0 H ASN A 67 -2.284 1.000 -7.181 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.939 0.484 -9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.508 0.319 -7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.192 -0.188 -8.779 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.809 -3.225 -7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.018 -1.998 -6.700 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.577 3.127 -8.628 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.213 4.378 -9.073 1.00 0.00 C ATOM 1089 C TYR A 68 -4.322 5.190 -10.033 1.00 0.00 C ATOM 1090 O TYR A 68 -4.802 5.621 -11.080 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.664 5.204 -7.861 1.00 0.00 C ATOM 1092 CG TYR A 68 -6.031 6.639 -8.193 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.275 6.932 -8.783 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -5.108 7.677 -7.949 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.602 8.258 -9.123 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -5.425 9.003 -8.294 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.677 9.299 -8.881 1.00 0.00 C ATOM 1098 OH TYR A 68 -7.004 10.583 -9.201 1.00 0.00 O ATOM 0 H TYR A 68 -4.417 3.081 -7.622 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.097 4.112 -9.652 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.524 4.717 -7.402 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.866 5.206 -7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.980 6.137 -8.975 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.154 7.453 -7.495 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.560 8.480 -9.569 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.713 9.794 -8.111 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.260 11.177 -8.970 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.017 5.324 -9.757 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.074 6.015 -10.652 1.00 0.00 C ATOM 1110 C LEU A 69 -1.958 5.349 -12.035 1.00 0.00 C ATOM 1111 O LEU A 69 -1.830 6.052 -13.035 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.693 6.137 -9.994 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.604 7.011 -8.726 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.818 6.881 -8.161 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.944 8.480 -9.025 1.00 0.00 C ATOM 0 H LEU A 69 -2.585 4.958 -8.909 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.480 7.013 -10.820 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.347 5.135 -9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.002 6.537 -10.733 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.335 6.667 -7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.909 7.490 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.018 5.838 -7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.538 7.222 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.871 9.064 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.244 8.873 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.959 8.546 -9.417 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.067 4.022 -12.115 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.170 3.275 -13.388 1.00 0.00 C ATOM 1129 C VAL A 70 -3.508 3.553 -14.086 1.00 0.00 C ATOM 1130 O VAL A 70 -3.529 3.805 -15.290 1.00 0.00 O ATOM 1131 CB VAL A 70 -1.981 1.753 -13.182 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.257 0.934 -14.455 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.554 1.435 -12.714 1.00 0.00 C ATOM 0 H VAL A 70 -2.087 3.420 -11.292 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.362 3.629 -14.028 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.709 1.470 -12.422 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.107 -0.125 -14.246 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.285 1.099 -14.778 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.574 1.248 -15.245 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.447 0.359 -12.577 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.160 1.778 -13.463 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.359 1.942 -11.769 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.614 3.568 -13.330 1.00 0.00 N ATOM 1144 CA ARG A 71 -5.966 3.857 -13.845 1.00 0.00 C ATOM 1145 C ARG A 71 -6.106 5.276 -14.429 1.00 0.00 C ATOM 1146 O ARG A 71 -6.917 5.481 -15.334 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.013 3.623 -12.741 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.284 2.131 -12.477 1.00 0.00 C ATOM 1149 CD ARG A 71 -7.869 1.869 -11.078 1.00 0.00 C ATOM 1150 NE ARG A 71 -9.049 2.707 -10.789 1.00 0.00 N ATOM 1151 CZ ARG A 71 -9.397 3.211 -9.609 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -8.725 2.954 -8.505 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -10.447 3.999 -9.524 1.00 0.00 N ATOM 0 H ARG A 71 -4.598 3.377 -12.328 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.141 3.168 -14.671 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.672 4.094 -11.819 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.946 4.112 -13.023 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.974 1.753 -13.231 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.354 1.573 -12.587 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.146 0.818 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.102 2.057 -10.327 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.661 2.922 -11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.905 2.348 -8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.025 3.361 -7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.988 4.220 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.720 4.389 -8.622 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.289 6.237 -13.979 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.200 7.603 -14.550 1.00 0.00 C ATOM 1169 C ILE A 72 -3.987 7.813 -15.480 1.00 0.00 C ATOM 1170 O ILE A 72 -3.746 8.933 -15.926 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.300 8.689 -13.448 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.080 8.704 -12.502 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.613 8.526 -12.660 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -3.935 10.001 -11.702 1.00 0.00 C ATOM 0 H ILE A 72 -4.656 6.092 -13.193 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.070 7.714 -15.198 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.303 9.656 -13.950 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.160 7.867 -11.808 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.175 8.547 -13.089 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.672 9.294 -11.889 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.460 8.627 -13.339 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.638 7.541 -12.194 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.056 9.936 -11.060 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.823 10.841 -12.388 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.823 10.151 -11.087 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.223 6.754 -15.780 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.100 6.716 -16.736 1.00 0.00 C ATOM 1188 C ASN A 73 -0.831 7.477 -16.274 1.00 0.00 C ATOM 1189 O ASN A 73 0.058 7.754 -17.080 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.560 7.127 -18.151 1.00 0.00 C ATOM 1191 CG ASN A 73 -3.787 6.352 -18.624 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -3.742 5.147 -18.840 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -4.916 7.019 -18.800 1.00 0.00 N ATOM 0 H ASN A 73 -3.378 5.848 -15.339 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.780 5.675 -16.775 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.785 8.194 -18.159 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.742 6.968 -18.854 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.753 6.530 -19.117 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.949 8.022 -18.619 1.00 0.00 H new ATOM 1200 N GLU A 74 -0.717 7.787 -14.976 1.00 0.00 N ATOM 1201 CA GLU A 74 0.444 8.457 -14.362 1.00 0.00 C ATOM 1202 C GLU A 74 1.542 7.475 -13.888 1.00 0.00 C ATOM 1203 O GLU A 74 2.629 7.900 -13.489 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.032 9.362 -13.212 1.00 0.00 C ATOM 1205 CG GLU A 74 -0.878 10.558 -13.674 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.112 11.495 -14.622 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.978 11.981 -14.237 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.596 11.762 -15.747 1.00 0.00 O ATOM 0 H GLU A 74 -1.451 7.573 -14.301 1.00 0.00 H new ATOM 0 HA GLU A 74 0.914 9.065 -15.135 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.615 8.766 -12.510 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.838 9.732 -12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.773 10.192 -14.176 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.210 11.122 -12.802 1.00 0.00 H new ATOM 1215 N VAL A 75 1.279 6.167 -13.977 1.00 0.00 N ATOM 1216 CA VAL A 75 2.235 5.056 -13.797 1.00 0.00 C ATOM 1217 C VAL A 75 1.977 4.020 -14.899 1.00 0.00 C ATOM 1218 O VAL A 75 0.823 3.720 -15.202 1.00 0.00 O ATOM 1219 CB VAL A 75 2.084 4.387 -12.406 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.995 3.160 -12.254 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.467 5.312 -11.245 1.00 0.00 C ATOM 0 H VAL A 75 0.340 5.830 -14.189 1.00 0.00 H new ATOM 0 HA VAL A 75 3.249 5.450 -13.860 1.00 0.00 H new ATOM 0 HB VAL A 75 1.028 4.122 -12.360 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.856 2.724 -11.265 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.741 2.422 -13.015 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.035 3.462 -12.374 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.339 4.783 -10.301 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.508 5.617 -11.351 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.827 6.194 -11.256 1.00 0.00 H new ATOM 1231 N LYS A 76 3.037 3.455 -15.489 1.00 0.00 N ATOM 1232 CA LYS A 76 2.927 2.297 -16.392 1.00 0.00 C ATOM 1233 C LYS A 76 2.909 0.997 -15.576 1.00 0.00 C ATOM 1234 O LYS A 76 3.829 0.732 -14.800 1.00 0.00 O ATOM 1235 CB LYS A 76 4.091 2.275 -17.401 1.00 0.00 C ATOM 1236 CG LYS A 76 4.151 3.538 -18.277 1.00 0.00 C ATOM 1237 CD LYS A 76 5.273 3.429 -19.318 1.00 0.00 C ATOM 1238 CE LYS A 76 5.312 4.696 -20.182 1.00 0.00 C ATOM 1239 NZ LYS A 76 6.383 4.630 -21.213 1.00 0.00 N ATOM 0 H LYS A 76 3.993 3.784 -15.356 1.00 0.00 H new ATOM 0 HA LYS A 76 1.995 2.382 -16.950 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.031 2.170 -16.860 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.992 1.399 -18.042 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.195 3.682 -18.780 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.316 4.414 -17.649 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.232 3.290 -18.818 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.112 2.554 -19.948 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.347 4.833 -20.669 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.474 5.565 -19.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.377 5.504 -21.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.307 4.524 -20.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.215 3.815 -21.837 1.00 0.00 H new ATOM 1253 N SER A 77 1.897 0.152 -15.769 1.00 0.00 N ATOM 1254 CA SER A 77 1.722 -1.104 -15.016 1.00 0.00 C ATOM 1255 C SER A 77 2.945 -2.035 -15.088 1.00 0.00 C ATOM 1256 O SER A 77 3.292 -2.675 -14.092 1.00 0.00 O ATOM 1257 CB SER A 77 0.474 -1.838 -15.523 1.00 0.00 C ATOM 1258 OG SER A 77 0.516 -2.006 -16.936 1.00 0.00 O ATOM 0 H SER A 77 1.164 0.316 -16.459 1.00 0.00 H new ATOM 0 HA SER A 77 1.604 -0.830 -13.968 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.400 -2.812 -15.040 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.419 -1.277 -15.247 1.00 0.00 H new ATOM 0 HG SER A 77 -0.290 -2.478 -17.233 1.00 0.00 H new ATOM 1264 N GLU A 78 3.668 -2.029 -16.214 1.00 0.00 N ATOM 1265 CA GLU A 78 4.855 -2.861 -16.461 1.00 0.00 C ATOM 1266 C GLU A 78 6.008 -2.596 -15.471 1.00 0.00 C ATOM 1267 O GLU A 78 6.873 -3.455 -15.289 1.00 0.00 O ATOM 1268 CB GLU A 78 5.354 -2.651 -17.901 1.00 0.00 C ATOM 1269 CG GLU A 78 4.302 -3.009 -18.961 1.00 0.00 C ATOM 1270 CD GLU A 78 4.897 -2.931 -20.375 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.884 -1.833 -20.981 1.00 0.00 O ATOM 1272 OE2 GLU A 78 5.374 -3.968 -20.895 1.00 0.00 O ATOM 0 H GLU A 78 3.437 -1.427 -17.004 1.00 0.00 H new ATOM 0 HA GLU A 78 4.542 -3.894 -16.312 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.650 -1.610 -18.028 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.245 -3.258 -18.063 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.923 -4.014 -18.777 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.454 -2.329 -18.881 1.00 0.00 H new ATOM 1279 N GLU A 79 6.006 -1.439 -14.798 1.00 0.00 N ATOM 1280 CA GLU A 79 7.003 -1.058 -13.793 1.00 0.00 C ATOM 1281 C GLU A 79 6.601 -1.446 -12.356 1.00 0.00 C ATOM 1282 O GLU A 79 7.451 -1.455 -11.465 1.00 0.00 O ATOM 1283 CB GLU A 79 7.210 0.466 -13.846 1.00 0.00 C ATOM 1284 CG GLU A 79 7.766 0.994 -15.176 1.00 0.00 C ATOM 1285 CD GLU A 79 9.167 0.445 -15.489 1.00 0.00 C ATOM 1286 OE1 GLU A 79 10.140 0.826 -14.795 1.00 0.00 O ATOM 1287 OE2 GLU A 79 9.312 -0.349 -16.448 1.00 0.00 O ATOM 0 H GLU A 79 5.292 -0.724 -14.942 1.00 0.00 H new ATOM 0 HA GLU A 79 7.917 -1.601 -14.033 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.256 0.955 -13.647 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.890 0.754 -13.044 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.085 0.724 -15.983 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.805 2.083 -15.143 1.00 0.00 H new ATOM 1294 N VAL A 80 5.326 -1.766 -12.115 1.00 0.00 N ATOM 1295 CA VAL A 80 4.751 -1.918 -10.763 1.00 0.00 C ATOM 1296 C VAL A 80 5.099 -3.291 -10.151 1.00 0.00 C ATOM 1297 O VAL A 80 4.768 -4.313 -10.761 1.00 0.00 O ATOM 1298 CB VAL A 80 3.217 -1.707 -10.764 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.659 -1.751 -9.335 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.830 -0.350 -11.378 1.00 0.00 C ATOM 0 H VAL A 80 4.649 -1.930 -12.860 1.00 0.00 H new ATOM 0 HA VAL A 80 5.199 -1.142 -10.143 1.00 0.00 H new ATOM 0 HB VAL A 80 2.794 -2.513 -11.363 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.580 -1.600 -9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.879 -2.720 -8.888 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.121 -0.963 -8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.746 -0.239 -11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.286 0.454 -10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.183 -0.303 -12.408 1.00 0.00 H new ATOM 1310 N PRO A 81 5.725 -3.346 -8.955 1.00 0.00 N ATOM 1311 CA PRO A 81 6.075 -4.594 -8.276 1.00 0.00 C ATOM 1312 C PRO A 81 4.887 -5.211 -7.518 1.00 0.00 C ATOM 1313 O PRO A 81 3.853 -4.575 -7.299 1.00 0.00 O ATOM 1314 CB PRO A 81 7.219 -4.217 -7.328 1.00 0.00 C ATOM 1315 CG PRO A 81 6.859 -2.790 -6.927 1.00 0.00 C ATOM 1316 CD PRO A 81 6.269 -2.214 -8.212 1.00 0.00 C ATOM 0 HA PRO A 81 6.368 -5.364 -8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.266 -4.881 -6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.189 -4.267 -7.823 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.140 -2.770 -6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.734 -2.230 -6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.490 -1.484 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.033 -1.698 -8.794 1.00 0.00 H new