USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.883 K(o=-0.88,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 87:sc= 0.00225 USER MOD Single : A 29 ASN : amide:sc= -21! C(o=-21!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -139:sc= -2.86! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= -2.45! (180deg=-5.28!) USER MOD Single : A 49 GLN : amide:sc= -5.16! C(o=-5.2!,f=-3.4!) USER MOD Single : A 54 SER OG : rot -20:sc= 0.0283 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.808 X(o=-0.81,f=-0.63) USER MOD Single : A 61 THR OG1 : rot -83:sc= 1.08 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.222 -6.400 1.575 1.00 0.00 N ATOM 121 CA LEU A 9 -8.632 -5.279 2.286 1.00 0.00 C ATOM 122 C LEU A 9 -8.283 -4.171 1.311 1.00 0.00 C ATOM 123 O LEU A 9 -7.789 -4.430 0.214 1.00 0.00 O ATOM 124 CB LEU A 9 -7.382 -5.724 3.047 1.00 0.00 C ATOM 125 CG LEU A 9 -7.633 -6.724 4.177 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.522 -7.761 4.231 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.757 -6.002 5.510 1.00 0.00 C ATOM 0 HA LEU A 9 -9.359 -4.903 3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.683 -6.168 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.896 -4.842 3.464 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.572 -7.240 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.719 -8.463 5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.482 -8.301 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.568 -7.263 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.935 -6.729 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.835 -5.459 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.590 -5.300 5.467 1.00 0.00 H new ATOM 139 N TYR A 10 -8.530 -2.936 1.713 1.00 0.00 N ATOM 140 CA TYR A 10 -8.229 -1.800 0.868 1.00 0.00 C ATOM 141 C TYR A 10 -6.938 -1.140 1.317 1.00 0.00 C ATOM 142 O TYR A 10 -6.896 -0.461 2.344 1.00 0.00 O ATOM 143 CB TYR A 10 -9.383 -0.800 0.889 1.00 0.00 C ATOM 144 CG TYR A 10 -10.729 -1.438 0.626 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.074 -1.867 -0.646 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.649 -1.617 1.649 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.297 -2.456 -0.897 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.877 -2.205 1.409 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.197 -2.623 0.136 1.00 0.00 C ATOM 150 OH TYR A 10 -14.416 -3.208 -0.108 1.00 0.00 O ATOM 0 H TYR A 10 -8.937 -2.698 2.617 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.099 -2.149 -0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.407 -0.303 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.201 -0.029 0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.372 -1.738 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.402 -1.292 2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.548 -2.784 -1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.582 -2.336 2.216 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.930 -3.252 0.725 1.00 0.00 H new ATOM 160 N LYS A 11 -5.886 -1.344 0.539 1.00 0.00 N ATOM 161 CA LYS A 11 -4.583 -0.764 0.852 1.00 0.00 C ATOM 162 C LYS A 11 -4.049 0.026 -0.335 1.00 0.00 C ATOM 163 O LYS A 11 -4.406 -0.251 -1.481 1.00 0.00 O ATOM 164 CB LYS A 11 -3.595 -1.865 1.237 1.00 0.00 C ATOM 165 CG LYS A 11 -4.197 -2.939 2.127 1.00 0.00 C ATOM 166 CD LYS A 11 -4.794 -4.074 1.309 1.00 0.00 C ATOM 167 CE LYS A 11 -3.867 -5.280 1.271 1.00 0.00 C ATOM 168 NZ LYS A 11 -3.052 -5.314 0.024 1.00 0.00 N ATOM 0 H LYS A 11 -5.906 -1.905 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.702 -0.084 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.211 -2.330 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.744 -1.415 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.429 -3.334 2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.969 -2.499 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.754 -4.365 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.987 -3.730 0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.205 -5.257 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.457 -6.194 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.434 -6.150 0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.683 -5.362 -0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.470 -4.454 -0.034 1.00 0.00 H new ATOM 182 N VAL A 12 -3.190 1.006 -0.068 1.00 0.00 N ATOM 183 CA VAL A 12 -2.622 1.815 -1.142 1.00 0.00 C ATOM 184 C VAL A 12 -1.161 1.435 -1.375 1.00 0.00 C ATOM 185 O VAL A 12 -0.428 1.173 -0.429 1.00 0.00 O ATOM 186 CB VAL A 12 -2.727 3.338 -0.858 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.068 4.096 -2.124 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.767 3.652 0.211 1.00 0.00 C ATOM 0 H VAL A 12 -2.875 1.257 0.869 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.207 1.607 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.752 3.656 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.137 5.161 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.290 3.929 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.023 3.744 -2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.805 4.729 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.745 3.300 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.496 3.152 1.141 1.00 0.00 H new ATOM 198 N GLN A 13 -0.749 1.383 -2.637 1.00 0.00 N ATOM 199 CA GLN A 13 0.624 1.012 -2.980 1.00 0.00 C ATOM 200 C GLN A 13 1.224 1.991 -3.982 1.00 0.00 C ATOM 201 O GLN A 13 0.560 2.405 -4.932 1.00 0.00 O ATOM 202 CB GLN A 13 0.667 -0.406 -3.549 1.00 0.00 C ATOM 203 CG GLN A 13 2.053 -1.031 -3.523 1.00 0.00 C ATOM 204 CD GLN A 13 2.277 -2.005 -4.662 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.580 -3.012 -4.779 1.00 0.00 O ATOM 206 NE2 GLN A 13 3.252 -1.707 -5.511 1.00 0.00 N ATOM 0 H GLN A 13 -1.343 1.592 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 13 1.217 1.048 -2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.018 -1.037 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.305 -0.387 -4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.804 -0.242 -3.572 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.196 -1.549 -2.574 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.805 -0.861 -5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.448 -2.324 -6.299 1.00 0.00 H new ATOM 215 N ILE A 14 2.479 2.376 -3.755 1.00 0.00 N ATOM 216 CA ILE A 14 3.145 3.326 -4.638 1.00 0.00 C ATOM 217 C ILE A 14 4.256 2.692 -5.474 1.00 0.00 C ATOM 218 O ILE A 14 4.804 3.350 -6.360 1.00 0.00 O ATOM 219 CB ILE A 14 3.732 4.511 -3.853 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.669 4.003 -2.751 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.613 5.372 -3.284 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.203 4.301 -1.344 1.00 0.00 C ATOM 0 H ILE A 14 3.048 2.048 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 14 2.368 3.679 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 14 4.319 5.133 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.787 2.925 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.654 4.447 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.042 6.207 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.998 5.754 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.997 4.772 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.926 3.906 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.114 5.379 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.233 3.833 -1.175 1.00 0.00 H new ATOM 234 N GLY A 15 4.585 1.420 -5.232 1.00 0.00 N ATOM 235 CA GLY A 15 5.624 0.797 -6.038 1.00 0.00 C ATOM 236 C GLY A 15 6.232 -0.459 -5.442 1.00 0.00 C ATOM 237 O GLY A 15 5.977 -0.809 -4.289 1.00 0.00 O ATOM 0 H GLY A 15 4.165 0.827 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.207 0.552 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.419 1.524 -6.204 1.00 0.00 H new ATOM 241 N ALA A 16 7.071 -1.111 -6.246 1.00 0.00 N ATOM 242 CA ALA A 16 7.782 -2.320 -5.845 1.00 0.00 C ATOM 243 C ALA A 16 9.108 -2.407 -6.603 1.00 0.00 C ATOM 244 O ALA A 16 9.150 -2.186 -7.814 1.00 0.00 O ATOM 245 CB ALA A 16 6.931 -3.563 -6.079 1.00 0.00 C ATOM 0 H ALA A 16 7.276 -0.812 -7.199 1.00 0.00 H new ATOM 0 HA ALA A 16 7.989 -2.270 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.487 -4.448 -5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.013 -3.490 -5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.683 -3.640 -7.138 1.00 0.00 H new ATOM 251 N PHE A 17 10.186 -2.721 -5.895 1.00 0.00 N ATOM 252 CA PHE A 17 11.502 -2.823 -6.518 1.00 0.00 C ATOM 253 C PHE A 17 12.319 -3.951 -5.900 1.00 0.00 C ATOM 254 O PHE A 17 12.171 -4.260 -4.722 1.00 0.00 O ATOM 255 CB PHE A 17 12.264 -1.503 -6.381 1.00 0.00 C ATOM 256 CG PHE A 17 11.399 -0.285 -6.536 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.749 0.260 -5.443 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.239 0.315 -7.776 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.953 1.380 -5.580 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.443 1.435 -7.920 1.00 0.00 C ATOM 261 CZ PHE A 17 9.800 1.970 -6.821 1.00 0.00 C ATOM 0 H PHE A 17 10.176 -2.909 -4.893 1.00 0.00 H new ATOM 0 HA PHE A 17 11.350 -3.043 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.747 -1.473 -5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.056 -1.472 -7.129 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.866 -0.196 -4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.742 -0.098 -8.638 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.450 1.795 -4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.324 1.892 -8.891 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.179 2.847 -6.931 1.00 0.00 H new ATOM 271 N LYS A 18 13.180 -4.557 -6.706 1.00 0.00 N ATOM 272 CA LYS A 18 14.024 -5.655 -6.242 1.00 0.00 C ATOM 273 C LYS A 18 14.959 -5.218 -5.114 1.00 0.00 C ATOM 274 O LYS A 18 15.585 -6.054 -4.464 1.00 0.00 O ATOM 275 CB LYS A 18 14.846 -6.223 -7.403 1.00 0.00 C ATOM 276 CG LYS A 18 15.441 -5.157 -8.310 1.00 0.00 C ATOM 277 CD LYS A 18 14.725 -5.098 -9.650 1.00 0.00 C ATOM 278 CE LYS A 18 15.309 -4.021 -10.552 1.00 0.00 C ATOM 279 NZ LYS A 18 15.823 -4.587 -11.831 1.00 0.00 N ATOM 0 H LYS A 18 13.314 -4.308 -7.686 1.00 0.00 H new ATOM 0 HA LYS A 18 13.363 -6.428 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.652 -6.836 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.212 -6.881 -7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.378 -4.185 -7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.499 -5.365 -8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.798 -6.066 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.665 -4.902 -9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.545 -3.274 -10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.118 -3.510 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.213 -3.822 -12.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.570 -5.282 -11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.046 -5.053 -12.341 1.00 0.00 H new ATOM 293 N VAL A 19 15.064 -3.909 -4.886 1.00 0.00 N ATOM 294 CA VAL A 19 15.937 -3.394 -3.839 1.00 0.00 C ATOM 295 C VAL A 19 15.147 -2.843 -2.654 1.00 0.00 C ATOM 296 O VAL A 19 14.239 -2.028 -2.822 1.00 0.00 O ATOM 297 CB VAL A 19 16.864 -2.287 -4.377 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.908 -1.910 -3.339 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.523 -2.728 -5.674 1.00 0.00 C ATOM 0 H VAL A 19 14.559 -3.194 -5.409 1.00 0.00 H new ATOM 0 HA VAL A 19 16.536 -4.239 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 19 16.261 -1.403 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.552 -1.127 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.412 -1.547 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.510 -2.785 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.174 -1.934 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.113 -3.627 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.755 -2.939 -6.419 1.00 0.00 H new ATOM 309 N LYS A 20 15.510 -3.297 -1.459 1.00 0.00 N ATOM 310 CA LYS A 20 14.859 -2.866 -0.232 1.00 0.00 C ATOM 311 C LYS A 20 15.207 -1.420 0.081 1.00 0.00 C ATOM 312 O LYS A 20 14.343 -0.642 0.480 1.00 0.00 O ATOM 313 CB LYS A 20 15.276 -3.765 0.932 1.00 0.00 C ATOM 314 CG LYS A 20 14.555 -3.446 2.234 1.00 0.00 C ATOM 315 CD LYS A 20 15.535 -3.224 3.376 1.00 0.00 C ATOM 316 CE LYS A 20 16.248 -1.888 3.243 1.00 0.00 C ATOM 317 NZ LYS A 20 17.445 -1.806 4.126 1.00 0.00 N ATOM 0 H LYS A 20 16.261 -3.972 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 20 13.781 -2.942 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.084 -4.804 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.351 -3.669 1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.941 -2.555 2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.880 -4.264 2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.003 -3.261 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.269 -4.030 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 20 16.551 -1.740 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.558 -1.082 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.903 -0.880 4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.154 -1.922 5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.116 -2.559 3.872 1.00 0.00 H new ATOM 331 N ALA A 21 16.474 -1.051 -0.113 1.00 0.00 N ATOM 332 CA ALA A 21 16.908 0.316 0.140 1.00 0.00 C ATOM 333 C ALA A 21 16.020 1.288 -0.622 1.00 0.00 C ATOM 334 O ALA A 21 15.724 2.387 -0.150 1.00 0.00 O ATOM 335 CB ALA A 21 18.365 0.496 -0.261 1.00 0.00 C ATOM 0 H ALA A 21 17.209 -1.677 -0.442 1.00 0.00 H new ATOM 0 HA ALA A 21 16.822 0.522 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.672 1.523 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.988 -0.186 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.479 0.280 -1.323 1.00 0.00 H new ATOM 341 N ASN A 22 15.573 0.852 -1.794 1.00 0.00 N ATOM 342 CA ASN A 22 14.688 1.657 -2.619 1.00 0.00 C ATOM 343 C ASN A 22 13.282 1.612 -2.041 1.00 0.00 C ATOM 344 O ASN A 22 12.531 2.584 -2.129 1.00 0.00 O ATOM 345 CB ASN A 22 14.684 1.145 -4.060 1.00 0.00 C ATOM 346 CG ASN A 22 15.860 1.668 -4.862 1.00 0.00 C ATOM 347 OD1 ASN A 22 15.683 2.307 -5.900 1.00 0.00 O ATOM 348 ND2 ASN A 22 17.069 1.395 -4.385 1.00 0.00 N ATOM 0 H ASN A 22 15.811 -0.056 -2.193 1.00 0.00 H new ATOM 0 HA ASN A 22 15.045 2.687 -2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.706 0.055 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.755 1.443 -4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.899 1.718 -4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 22 17.168 0.862 -3.521 1.00 0.00 H new ATOM 355 N ALA A 23 12.936 0.476 -1.434 1.00 0.00 N ATOM 356 CA ALA A 23 11.621 0.311 -0.828 1.00 0.00 C ATOM 357 C ALA A 23 11.514 1.107 0.473 1.00 0.00 C ATOM 358 O ALA A 23 10.414 1.425 0.930 1.00 0.00 O ATOM 359 CB ALA A 23 11.341 -1.162 -0.570 1.00 0.00 C ATOM 0 H ALA A 23 13.546 -0.337 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 23 10.875 0.696 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.356 -1.271 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.370 -1.708 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.097 -1.563 0.105 1.00 0.00 H new ATOM 365 N ASP A 24 12.663 1.430 1.063 1.00 0.00 N ATOM 366 CA ASP A 24 12.703 2.189 2.309 1.00 0.00 C ATOM 367 C ASP A 24 12.600 3.684 2.035 1.00 0.00 C ATOM 368 O ASP A 24 11.938 4.417 2.772 1.00 0.00 O ATOM 369 CB ASP A 24 13.992 1.886 3.074 1.00 0.00 C ATOM 370 CG ASP A 24 13.772 1.819 4.574 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.802 2.437 5.059 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.571 1.149 5.261 1.00 0.00 O ATOM 0 H ASP A 24 13.580 1.177 0.696 1.00 0.00 H new ATOM 0 HA ASP A 24 11.850 1.889 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.403 0.938 2.727 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.732 2.655 2.852 1.00 0.00 H new ATOM 377 N SER A 25 13.240 4.128 0.960 1.00 0.00 N ATOM 378 CA SER A 25 13.199 5.536 0.582 1.00 0.00 C ATOM 379 C SER A 25 11.786 5.911 0.157 1.00 0.00 C ATOM 380 O SER A 25 11.304 7.009 0.442 1.00 0.00 O ATOM 381 CB SER A 25 14.184 5.815 -0.555 1.00 0.00 C ATOM 382 OG SER A 25 14.487 7.197 -0.639 1.00 0.00 O ATOM 0 H SER A 25 13.791 3.537 0.337 1.00 0.00 H new ATOM 0 HA SER A 25 13.488 6.141 1.442 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.101 5.248 -0.394 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.760 5.474 -1.500 1.00 0.00 H new ATOM 0 HG SER A 25 15.119 7.349 -1.372 1.00 0.00 H new ATOM 388 N LEU A 26 11.128 4.977 -0.519 1.00 0.00 N ATOM 389 CA LEU A 26 9.764 5.179 -0.984 1.00 0.00 C ATOM 390 C LEU A 26 8.807 5.270 0.203 1.00 0.00 C ATOM 391 O LEU A 26 8.033 6.223 0.325 1.00 0.00 O ATOM 392 CB LEU A 26 9.363 4.027 -1.908 1.00 0.00 C ATOM 393 CG LEU A 26 7.989 4.154 -2.569 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.903 5.415 -3.412 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.696 2.929 -3.422 1.00 0.00 C ATOM 0 H LEU A 26 11.522 4.067 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 26 9.709 6.116 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.115 3.935 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.385 3.101 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 26 7.240 4.221 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.916 5.480 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.068 6.287 -2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.664 5.384 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.715 3.034 -3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.456 2.836 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.707 2.038 -2.795 1.00 0.00 H new ATOM 407 N ALA A 27 8.880 4.282 1.088 1.00 0.00 N ATOM 408 CA ALA A 27 8.038 4.261 2.278 1.00 0.00 C ATOM 409 C ALA A 27 8.268 5.516 3.117 1.00 0.00 C ATOM 410 O ALA A 27 7.401 5.933 3.885 1.00 0.00 O ATOM 411 CB ALA A 27 8.311 3.010 3.099 1.00 0.00 C ATOM 0 H ALA A 27 9.513 3.486 1.004 1.00 0.00 H new ATOM 0 HA ALA A 27 6.994 4.245 1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.675 3.009 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.097 2.126 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.357 2.996 3.405 1.00 0.00 H new ATOM 417 N SER A 28 9.446 6.111 2.956 1.00 0.00 N ATOM 418 CA SER A 28 9.800 7.321 3.686 1.00 0.00 C ATOM 419 C SER A 28 9.026 8.521 3.146 1.00 0.00 C ATOM 420 O SER A 28 8.542 9.357 3.911 1.00 0.00 O ATOM 421 CB SER A 28 11.305 7.582 3.585 1.00 0.00 C ATOM 422 OG SER A 28 11.999 6.997 4.672 1.00 0.00 O ATOM 0 H SER A 28 10.172 5.773 2.325 1.00 0.00 H new ATOM 0 HA SER A 28 9.535 7.178 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.685 7.177 2.647 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.490 8.656 3.567 1.00 0.00 H new ATOM 0 HG SER A 28 12.214 6.065 4.459 1.00 0.00 H new ATOM 428 N ASN A 29 8.905 8.593 1.822 1.00 0.00 N ATOM 429 CA ASN A 29 8.182 9.689 1.185 1.00 0.00 C ATOM 430 C ASN A 29 6.738 9.727 1.666 1.00 0.00 C ATOM 431 O ASN A 29 6.218 10.785 2.022 1.00 0.00 O ATOM 432 CB ASN A 29 8.245 9.556 -0.345 1.00 0.00 C ATOM 433 CG ASN A 29 7.114 8.733 -0.937 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.937 9.042 -0.759 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.469 7.683 -1.660 1.00 0.00 N ATOM 0 H ASN A 29 9.296 7.909 1.174 1.00 0.00 H new ATOM 0 HA ASN A 29 8.658 10.628 1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.227 10.552 -0.788 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.196 9.101 -0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.755 7.097 -2.093 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.456 7.460 -1.784 1.00 0.00 H new ATOM 442 N ALA A 30 6.095 8.564 1.675 1.00 0.00 N ATOM 443 CA ALA A 30 4.712 8.467 2.114 1.00 0.00 C ATOM 444 C ALA A 30 4.580 8.894 3.567 1.00 0.00 C ATOM 445 O ALA A 30 3.631 9.582 3.940 1.00 0.00 O ATOM 446 CB ALA A 30 4.196 7.052 1.925 1.00 0.00 C ATOM 0 H ALA A 30 6.510 7.679 1.384 1.00 0.00 H new ATOM 0 HA ALA A 30 4.109 9.140 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.160 6.995 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.254 6.781 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.804 6.362 2.510 1.00 0.00 H new ATOM 452 N GLU A 31 5.545 8.483 4.383 1.00 0.00 N ATOM 453 CA GLU A 31 5.540 8.829 5.800 1.00 0.00 C ATOM 454 C GLU A 31 5.452 10.340 5.977 1.00 0.00 C ATOM 455 O GLU A 31 4.789 10.835 6.888 1.00 0.00 O ATOM 456 CB GLU A 31 6.797 8.290 6.486 1.00 0.00 C ATOM 457 CG GLU A 31 6.745 8.374 8.002 1.00 0.00 C ATOM 458 CD GLU A 31 7.957 9.068 8.591 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.025 9.048 7.945 1.00 0.00 O ATOM 460 OE2 GLU A 31 7.838 9.635 9.699 1.00 0.00 O ATOM 0 H GLU A 31 6.338 7.912 4.089 1.00 0.00 H new ATOM 0 HA GLU A 31 4.666 8.371 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.944 7.250 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.663 8.847 6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.844 8.909 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.671 7.368 8.415 1.00 0.00 H new ATOM 467 N ALA A 32 6.119 11.066 5.086 1.00 0.00 N ATOM 468 CA ALA A 32 6.119 12.524 5.120 1.00 0.00 C ATOM 469 C ALA A 32 4.692 13.052 5.132 1.00 0.00 C ATOM 470 O ALA A 32 4.324 13.852 5.991 1.00 0.00 O ATOM 471 CB ALA A 32 6.885 13.082 3.930 1.00 0.00 C ATOM 0 H ALA A 32 6.670 10.665 4.327 1.00 0.00 H new ATOM 0 HA ALA A 32 6.616 12.851 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.876 14.171 3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.915 12.726 3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.414 12.749 3.005 1.00 0.00 H new ATOM 477 N LYS A 33 3.884 12.579 4.187 1.00 0.00 N ATOM 478 CA LYS A 33 2.490 12.992 4.119 1.00 0.00 C ATOM 479 C LYS A 33 1.776 12.550 5.387 1.00 0.00 C ATOM 480 O LYS A 33 0.819 13.183 5.834 1.00 0.00 O ATOM 481 CB LYS A 33 1.807 12.386 2.896 1.00 0.00 C ATOM 482 CG LYS A 33 2.323 12.936 1.577 1.00 0.00 C ATOM 483 CD LYS A 33 2.127 14.443 1.489 1.00 0.00 C ATOM 484 CE LYS A 33 3.380 15.196 1.911 1.00 0.00 C ATOM 485 NZ LYS A 33 3.953 15.992 0.791 1.00 0.00 N ATOM 0 H LYS A 33 4.169 11.916 3.466 1.00 0.00 H new ATOM 0 HA LYS A 33 2.444 14.077 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.948 11.305 2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.734 12.568 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.382 12.698 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.803 12.451 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.864 14.717 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.292 14.740 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.142 15.859 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.126 14.487 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.805 16.490 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.204 15.357 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.251 16.686 0.464 1.00 0.00 H new ATOM 499 N GLY A 34 2.270 11.463 5.971 1.00 0.00 N ATOM 500 CA GLY A 34 1.703 10.943 7.192 1.00 0.00 C ATOM 501 C GLY A 34 0.962 9.642 6.982 1.00 0.00 C ATOM 502 O GLY A 34 -0.020 9.359 7.670 1.00 0.00 O ATOM 0 H GLY A 34 3.062 10.931 5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.499 10.790 7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.021 11.681 7.615 1.00 0.00 H new ATOM 506 N PHE A 35 1.439 8.841 6.036 1.00 0.00 N ATOM 507 CA PHE A 35 0.821 7.559 5.745 1.00 0.00 C ATOM 508 C PHE A 35 1.603 6.425 6.388 1.00 0.00 C ATOM 509 O PHE A 35 2.795 6.554 6.663 1.00 0.00 O ATOM 510 CB PHE A 35 0.739 7.349 4.237 1.00 0.00 C ATOM 511 CG PHE A 35 0.235 8.552 3.495 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.691 9.405 4.072 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.699 8.833 2.223 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.147 10.515 3.393 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.247 9.944 1.537 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.678 10.786 2.123 1.00 0.00 C ATOM 0 H PHE A 35 2.252 9.059 5.459 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.187 7.560 6.161 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.727 7.086 3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.084 6.503 4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.060 9.198 5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.422 8.177 1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.870 11.172 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.616 10.154 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.034 11.655 1.589 1.00 0.00 H new ATOM 526 N ASP A 36 0.925 5.310 6.616 1.00 0.00 N ATOM 527 CA ASP A 36 1.559 4.146 7.211 1.00 0.00 C ATOM 528 C ASP A 36 2.232 3.314 6.130 1.00 0.00 C ATOM 529 O ASP A 36 1.587 2.491 5.479 1.00 0.00 O ATOM 530 CB ASP A 36 0.529 3.300 7.962 1.00 0.00 C ATOM 531 CG ASP A 36 -0.149 4.070 9.078 1.00 0.00 C ATOM 532 OD1 ASP A 36 -1.016 4.916 8.774 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.187 3.828 10.256 1.00 0.00 O ATOM 0 H ASP A 36 -0.064 5.188 6.398 1.00 0.00 H new ATOM 0 HA ASP A 36 2.313 4.484 7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.225 2.943 7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.020 2.420 8.378 1.00 0.00 H new ATOM 538 N SER A 37 3.524 3.546 5.918 1.00 0.00 N ATOM 539 CA SER A 37 4.259 2.828 4.889 1.00 0.00 C ATOM 540 C SER A 37 4.660 1.444 5.374 1.00 0.00 C ATOM 541 O SER A 37 4.757 1.195 6.577 1.00 0.00 O ATOM 542 CB SER A 37 5.504 3.617 4.477 1.00 0.00 C ATOM 543 OG SER A 37 6.536 3.482 5.438 1.00 0.00 O ATOM 0 H SER A 37 4.079 4.222 6.443 1.00 0.00 H new ATOM 0 HA SER A 37 3.606 2.715 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.857 3.265 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.248 4.670 4.359 1.00 0.00 H new ATOM 0 HG SER A 37 6.976 4.348 5.569 1.00 0.00 H new ATOM 549 N ILE A 38 4.865 0.543 4.426 1.00 0.00 N ATOM 550 CA ILE A 38 5.224 -0.831 4.739 1.00 0.00 C ATOM 551 C ILE A 38 5.993 -1.465 3.584 1.00 0.00 C ATOM 552 O ILE A 38 5.619 -1.313 2.420 1.00 0.00 O ATOM 553 CB ILE A 38 3.954 -1.658 5.038 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.242 -3.162 4.964 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.845 -1.274 4.067 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.500 -3.971 6.008 1.00 0.00 C ATOM 0 H ILE A 38 4.788 0.740 3.428 1.00 0.00 H new ATOM 0 HA ILE A 38 5.864 -0.824 5.621 1.00 0.00 H new ATOM 0 HB ILE A 38 3.628 -1.434 6.054 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.972 -3.527 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.313 -3.325 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.952 -1.861 4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.617 -0.214 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.171 -1.472 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.751 -5.026 5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.788 -3.632 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.426 -3.838 5.876 1.00 0.00 H new ATOM 568 N VAL A 39 7.067 -2.176 3.910 1.00 0.00 N ATOM 569 CA VAL A 39 7.882 -2.831 2.898 1.00 0.00 C ATOM 570 C VAL A 39 7.783 -4.347 3.010 1.00 0.00 C ATOM 571 O VAL A 39 8.274 -4.939 3.971 1.00 0.00 O ATOM 572 CB VAL A 39 9.361 -2.412 3.013 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.176 -3.010 1.877 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.487 -0.897 3.030 1.00 0.00 C ATOM 0 H VAL A 39 7.392 -2.312 4.867 1.00 0.00 H new ATOM 0 HA VAL A 39 7.497 -2.517 1.928 1.00 0.00 H new ATOM 0 HB VAL A 39 9.756 -2.797 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.217 -2.703 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.113 -4.097 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.783 -2.659 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.538 -0.620 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.074 -0.487 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.939 -0.496 3.883 1.00 0.00 H new ATOM 584 N LEU A 40 7.147 -4.977 2.024 1.00 0.00 N ATOM 585 CA LEU A 40 6.995 -6.429 2.024 1.00 0.00 C ATOM 586 C LEU A 40 7.936 -7.074 1.017 1.00 0.00 C ATOM 587 O LEU A 40 7.888 -6.777 -0.176 1.00 0.00 O ATOM 588 CB LEU A 40 5.543 -6.824 1.710 1.00 0.00 C ATOM 589 CG LEU A 40 5.363 -8.129 0.916 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.154 -9.268 1.552 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.888 -8.491 0.821 1.00 0.00 C ATOM 0 H LEU A 40 6.731 -4.507 1.220 1.00 0.00 H new ATOM 0 HA LEU A 40 7.250 -6.790 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.999 -6.915 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.078 -6.013 1.150 1.00 0.00 H new ATOM 0 HG LEU A 40 5.749 -7.972 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.010 -10.179 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.213 -9.011 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.805 -9.428 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.776 -9.417 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.481 -8.626 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.349 -7.690 0.315 1.00 0.00 H new ATOM 682 N TYR A 46 10.784 -6.183 -3.622 1.00 0.00 N ATOM 683 CA TYR A 46 10.323 -5.471 -2.435 1.00 0.00 C ATOM 684 C TYR A 46 9.223 -4.489 -2.827 1.00 0.00 C ATOM 685 O TYR A 46 9.348 -3.781 -3.821 1.00 0.00 O ATOM 686 CB TYR A 46 11.478 -4.717 -1.771 1.00 0.00 C ATOM 687 CG TYR A 46 12.371 -5.596 -0.931 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.205 -6.533 -1.525 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.374 -5.499 0.454 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.019 -7.346 -0.763 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.187 -6.308 1.224 1.00 0.00 C ATOM 692 CZ TYR A 46 14.007 -7.230 0.610 1.00 0.00 C ATOM 693 OH TYR A 46 14.817 -8.039 1.373 1.00 0.00 O ATOM 0 HA TYR A 46 9.932 -6.197 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.078 -4.236 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.070 -3.924 -1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.217 -6.627 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.730 -4.779 0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.663 -8.070 -1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.180 -6.219 2.300 1.00 0.00 H new ATOM 0 HH TYR A 46 14.689 -7.829 2.322 1.00 0.00 H new ATOM 703 N LYS A 47 8.145 -4.450 -2.057 1.00 0.00 N ATOM 704 CA LYS A 47 7.036 -3.547 -2.361 1.00 0.00 C ATOM 705 C LYS A 47 6.833 -2.529 -1.257 1.00 0.00 C ATOM 706 O LYS A 47 7.203 -2.758 -0.107 1.00 0.00 O ATOM 707 CB LYS A 47 5.745 -4.333 -2.583 1.00 0.00 C ATOM 708 CG LYS A 47 5.964 -5.676 -3.253 1.00 0.00 C ATOM 709 CD LYS A 47 6.098 -6.787 -2.227 1.00 0.00 C ATOM 710 CE LYS A 47 5.068 -7.873 -2.460 1.00 0.00 C ATOM 711 NZ LYS A 47 3.723 -7.483 -1.956 1.00 0.00 N ATOM 0 H LYS A 47 8.012 -5.025 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 47 7.291 -3.014 -3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.255 -4.490 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.066 -3.737 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.130 -5.893 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.863 -5.636 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.099 -7.214 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.978 -6.377 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.006 -8.091 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.389 -8.789 -1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.191 -8.336 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.829 -6.868 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.208 -6.972 -2.701 1.00 0.00 H new ATOM 725 N VAL A 48 6.243 -1.400 -1.624 1.00 0.00 N ATOM 726 CA VAL A 48 5.987 -0.332 -0.678 1.00 0.00 C ATOM 727 C VAL A 48 4.521 0.082 -0.692 1.00 0.00 C ATOM 728 O VAL A 48 4.042 0.693 -1.648 1.00 0.00 O ATOM 729 CB VAL A 48 6.880 0.884 -0.975 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.638 2.002 0.030 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.344 0.471 -0.980 1.00 0.00 C ATOM 0 H VAL A 48 5.933 -1.203 -2.576 1.00 0.00 H new ATOM 0 HA VAL A 48 6.225 -0.711 0.316 1.00 0.00 H new ATOM 0 HB VAL A 48 6.621 1.265 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.283 2.848 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.595 2.316 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.862 1.643 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.967 1.340 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.610 0.063 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.506 -0.286 -1.747 1.00 0.00 H new ATOM 741 N GLN A 49 3.818 -0.262 0.380 1.00 0.00 N ATOM 742 CA GLN A 49 2.405 0.061 0.512 1.00 0.00 C ATOM 743 C GLN A 49 2.194 1.132 1.578 1.00 0.00 C ATOM 744 O GLN A 49 2.878 1.147 2.601 1.00 0.00 O ATOM 745 CB GLN A 49 1.615 -1.207 0.865 1.00 0.00 C ATOM 746 CG GLN A 49 0.141 -0.965 1.155 1.00 0.00 C ATOM 747 CD GLN A 49 -0.390 -1.872 2.248 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.472 -3.088 2.074 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.754 -1.283 3.381 1.00 0.00 N ATOM 0 H GLN A 49 4.208 -0.768 1.175 1.00 0.00 H new ATOM 0 HA GLN A 49 2.044 0.454 -0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.700 -1.915 0.041 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.073 -1.676 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.003 0.075 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.436 -1.122 0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.668 -0.271 3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.119 -1.842 4.152 1.00 0.00 H new ATOM 758 N ILE A 50 1.242 2.025 1.334 1.00 0.00 N ATOM 759 CA ILE A 50 0.941 3.092 2.273 1.00 0.00 C ATOM 760 C ILE A 50 -0.564 3.263 2.472 1.00 0.00 C ATOM 761 O ILE A 50 -1.316 3.481 1.526 1.00 0.00 O ATOM 762 CB ILE A 50 1.582 4.419 1.840 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.275 4.737 0.372 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.083 4.339 2.068 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.250 5.830 0.193 1.00 0.00 C ATOM 0 H ILE A 50 0.666 2.029 0.492 1.00 0.00 H new ATOM 0 HA ILE A 50 1.374 2.802 3.231 1.00 0.00 H new ATOM 0 HB ILE A 50 1.161 5.227 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.198 5.030 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.919 3.832 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.548 5.277 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.282 4.162 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.497 3.521 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.083 6.001 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.686 5.531 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.612 6.748 0.656 1.00 0.00 H new ATOM 777 N GLY A 51 -0.974 3.163 3.728 1.00 0.00 N ATOM 778 CA GLY A 51 -2.371 3.308 4.090 1.00 0.00 C ATOM 779 C GLY A 51 -3.182 2.054 3.832 1.00 0.00 C ATOM 780 O GLY A 51 -3.525 1.752 2.687 1.00 0.00 O ATOM 0 H GLY A 51 -0.352 2.981 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.442 3.569 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.803 4.136 3.527 1.00 0.00 H new ATOM 784 N ALA A 52 -3.499 1.327 4.898 1.00 0.00 N ATOM 785 CA ALA A 52 -4.286 0.107 4.792 1.00 0.00 C ATOM 786 C ALA A 52 -5.486 0.168 5.730 1.00 0.00 C ATOM 787 O ALA A 52 -5.329 0.319 6.942 1.00 0.00 O ATOM 788 CB ALA A 52 -3.425 -1.109 5.104 1.00 0.00 C ATOM 0 H ALA A 52 -3.220 1.565 5.850 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.651 0.016 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.028 -2.013 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.596 -1.159 4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.033 -1.027 6.118 1.00 0.00 H new ATOM 794 N PHE A 53 -6.685 0.068 5.167 1.00 0.00 N ATOM 795 CA PHE A 53 -7.904 0.133 5.967 1.00 0.00 C ATOM 796 C PHE A 53 -8.938 -0.886 5.498 1.00 0.00 C ATOM 797 O PHE A 53 -8.775 -1.523 4.455 1.00 0.00 O ATOM 798 CB PHE A 53 -8.506 1.540 5.906 1.00 0.00 C ATOM 799 CG PHE A 53 -7.479 2.638 5.840 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.752 2.853 4.680 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.245 3.453 6.936 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.808 3.860 4.614 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.304 4.463 6.876 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.584 4.667 5.714 1.00 0.00 C ATOM 0 H PHE A 53 -6.840 -0.058 4.167 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.633 -0.104 6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.155 1.610 5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.134 1.695 6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.925 2.226 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.804 3.297 7.847 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.246 4.016 3.705 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.131 5.093 7.736 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.848 5.456 5.665 1.00 0.00 H new ATOM 814 N SER A 54 -10.006 -1.023 6.276 1.00 0.00 N ATOM 815 CA SER A 54 -11.081 -1.951 5.950 1.00 0.00 C ATOM 816 C SER A 54 -12.031 -1.346 4.920 1.00 0.00 C ATOM 817 O SER A 54 -12.804 -2.060 4.281 1.00 0.00 O ATOM 818 CB SER A 54 -11.854 -2.332 7.214 1.00 0.00 C ATOM 819 OG SER A 54 -12.798 -3.356 6.946 1.00 0.00 O ATOM 0 H SER A 54 -10.150 -0.501 7.140 1.00 0.00 H new ATOM 0 HA SER A 54 -10.635 -2.848 5.521 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.158 -2.667 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.367 -1.455 7.609 1.00 0.00 H new ATOM 0 HG SER A 54 -12.988 -3.382 5.985 1.00 0.00 H new ATOM 825 N SER A 55 -11.970 -0.025 4.760 1.00 0.00 N ATOM 826 CA SER A 55 -12.825 0.673 3.805 1.00 0.00 C ATOM 827 C SER A 55 -11.998 1.287 2.675 1.00 0.00 C ATOM 828 O SER A 55 -10.993 1.953 2.920 1.00 0.00 O ATOM 829 CB SER A 55 -13.634 1.760 4.514 1.00 0.00 C ATOM 830 OG SER A 55 -15.014 1.648 4.213 1.00 0.00 O ATOM 0 H SER A 55 -11.337 0.582 5.280 1.00 0.00 H new ATOM 0 HA SER A 55 -13.511 -0.054 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.486 1.683 5.591 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.271 2.743 4.212 1.00 0.00 H new ATOM 0 HG SER A 55 -15.509 2.353 4.680 1.00 0.00 H new ATOM 836 N LYS A 56 -12.430 1.053 1.440 1.00 0.00 N ATOM 837 CA LYS A 56 -11.734 1.579 0.272 1.00 0.00 C ATOM 838 C LYS A 56 -11.630 3.099 0.327 1.00 0.00 C ATOM 839 O LYS A 56 -10.618 3.675 -0.075 1.00 0.00 O ATOM 840 CB LYS A 56 -12.443 1.165 -1.010 1.00 0.00 C ATOM 841 CG LYS A 56 -11.688 1.575 -2.260 1.00 0.00 C ATOM 842 CD LYS A 56 -11.784 0.512 -3.339 1.00 0.00 C ATOM 843 CE LYS A 56 -13.205 0.366 -3.855 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.240 0.080 -5.315 1.00 0.00 N ATOM 0 H LYS A 56 -13.260 0.502 1.222 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.728 1.160 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.578 0.083 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.438 1.611 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.089 2.516 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.641 1.751 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.121 0.770 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.441 -0.443 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.706 -0.438 -3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.761 1.281 -3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.228 -0.012 -5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.785 0.859 -5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.732 -0.807 -5.507 1.00 0.00 H new ATOM 858 N ASP A 57 -12.683 3.747 0.821 1.00 0.00 N ATOM 859 CA ASP A 57 -12.708 5.204 0.925 1.00 0.00 C ATOM 860 C ASP A 57 -11.408 5.731 1.519 1.00 0.00 C ATOM 861 O ASP A 57 -10.947 6.819 1.173 1.00 0.00 O ATOM 862 CB ASP A 57 -13.895 5.656 1.778 1.00 0.00 C ATOM 863 CG ASP A 57 -14.302 7.089 1.489 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.111 7.539 0.340 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.812 7.757 2.412 1.00 0.00 O ATOM 0 H ASP A 57 -13.529 3.286 1.155 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.817 5.612 -0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.743 4.996 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.639 5.560 2.833 1.00 0.00 H new ATOM 870 N ASN A 58 -10.819 4.945 2.412 1.00 0.00 N ATOM 871 CA ASN A 58 -9.566 5.322 3.054 1.00 0.00 C ATOM 872 C ASN A 58 -8.412 5.230 2.063 1.00 0.00 C ATOM 873 O ASN A 58 -7.624 6.166 1.920 1.00 0.00 O ATOM 874 CB ASN A 58 -9.293 4.421 4.261 1.00 0.00 C ATOM 875 CG ASN A 58 -10.411 4.472 5.284 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.456 5.367 6.128 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.322 3.510 5.212 1.00 0.00 N ATOM 0 H ASN A 58 -11.189 4.042 2.708 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.652 6.353 3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.161 3.394 3.922 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.358 4.723 4.733 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.099 3.493 5.873 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -11.245 2.788 4.496 1.00 0.00 H new ATOM 884 N ALA A 59 -8.326 4.097 1.374 1.00 0.00 N ATOM 885 CA ALA A 59 -7.279 3.874 0.386 1.00 0.00 C ATOM 886 C ALA A 59 -7.305 4.945 -0.695 1.00 0.00 C ATOM 887 O ALA A 59 -6.263 5.459 -1.092 1.00 0.00 O ATOM 888 CB ALA A 59 -7.434 2.495 -0.232 1.00 0.00 C ATOM 0 H ALA A 59 -8.973 3.316 1.483 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.315 3.933 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.647 2.336 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.359 1.737 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.407 2.421 -0.718 1.00 0.00 H new ATOM 894 N ASP A 60 -8.498 5.272 -1.179 1.00 0.00 N ATOM 895 CA ASP A 60 -8.650 6.279 -2.222 1.00 0.00 C ATOM 896 C ASP A 60 -8.085 7.625 -1.776 1.00 0.00 C ATOM 897 O ASP A 60 -7.276 8.232 -2.478 1.00 0.00 O ATOM 898 CB ASP A 60 -10.124 6.434 -2.600 1.00 0.00 C ATOM 899 CG ASP A 60 -10.593 5.354 -3.554 1.00 0.00 C ATOM 900 OD1 ASP A 60 -10.043 5.271 -4.673 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.510 4.592 -3.182 1.00 0.00 O ATOM 0 H ASP A 60 -9.374 4.854 -0.866 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.089 5.944 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.733 6.406 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.278 7.411 -3.058 1.00 0.00 H new ATOM 906 N THR A 61 -8.517 8.087 -0.607 1.00 0.00 N ATOM 907 CA THR A 61 -8.053 9.363 -0.074 1.00 0.00 C ATOM 908 C THR A 61 -6.538 9.361 0.113 1.00 0.00 C ATOM 909 O THR A 61 -5.880 10.384 -0.075 1.00 0.00 O ATOM 910 CB THR A 61 -8.741 9.669 1.257 1.00 0.00 C ATOM 911 OG1 THR A 61 -9.254 8.486 1.842 1.00 0.00 O ATOM 912 CG2 THR A 61 -9.885 10.651 1.125 1.00 0.00 C ATOM 0 H THR A 61 -9.186 7.598 -0.012 1.00 0.00 H new ATOM 0 HA THR A 61 -8.311 10.139 -0.794 1.00 0.00 H new ATOM 0 HB THR A 61 -7.970 10.115 1.885 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.130 8.282 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.330 10.825 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.511 11.593 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.639 10.243 0.451 1.00 0.00 H new ATOM 920 N LEU A 62 -5.991 8.204 0.467 1.00 0.00 N ATOM 921 CA LEU A 62 -4.554 8.059 0.670 1.00 0.00 C ATOM 922 C LEU A 62 -3.835 8.130 -0.649 1.00 0.00 C ATOM 923 O LEU A 62 -2.883 8.888 -0.829 1.00 0.00 O ATOM 924 CB LEU A 62 -4.241 6.691 1.263 1.00 0.00 C ATOM 925 CG LEU A 62 -3.015 6.644 2.169 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.857 7.393 1.531 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.338 7.222 3.537 1.00 0.00 C ATOM 0 H LEU A 62 -6.524 7.348 0.620 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.233 8.859 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.107 6.352 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.098 5.983 0.447 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.722 5.602 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.989 7.351 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.609 6.933 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.141 8.433 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.451 7.179 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.657 8.259 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.139 6.643 3.997 1.00 0.00 H new ATOM 939 N ALA A 63 -4.289 7.288 -1.562 1.00 0.00 N ATOM 940 CA ALA A 63 -3.690 7.195 -2.862 1.00 0.00 C ATOM 941 C ALA A 63 -3.625 8.563 -3.530 1.00 0.00 C ATOM 942 O ALA A 63 -2.548 9.049 -3.876 1.00 0.00 O ATOM 943 CB ALA A 63 -4.447 6.204 -3.734 1.00 0.00 C ATOM 0 H ALA A 63 -5.078 6.658 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.670 6.831 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.976 6.149 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.428 5.219 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.480 6.533 -3.845 1.00 0.00 H new ATOM 949 N ALA A 64 -4.792 9.186 -3.697 1.00 0.00 N ATOM 950 CA ALA A 64 -4.874 10.507 -4.310 1.00 0.00 C ATOM 951 C ALA A 64 -3.928 11.475 -3.613 1.00 0.00 C ATOM 952 O ALA A 64 -3.293 12.312 -4.254 1.00 0.00 O ATOM 953 CB ALA A 64 -6.302 11.028 -4.257 1.00 0.00 C ATOM 0 H ALA A 64 -5.691 8.795 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.575 10.424 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.347 12.015 -4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.959 10.345 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.625 11.098 -3.218 1.00 0.00 H new ATOM 959 N ARG A 65 -3.824 11.336 -2.294 1.00 0.00 N ATOM 960 CA ARG A 65 -2.938 12.179 -1.508 1.00 0.00 C ATOM 961 C ARG A 65 -1.492 11.918 -1.905 1.00 0.00 C ATOM 962 O ARG A 65 -0.677 12.838 -1.977 1.00 0.00 O ATOM 963 CB ARG A 65 -3.132 11.897 -0.019 1.00 0.00 C ATOM 964 CG ARG A 65 -2.892 13.100 0.874 1.00 0.00 C ATOM 965 CD ARG A 65 -3.396 12.849 2.284 1.00 0.00 C ATOM 966 NE ARG A 65 -4.213 13.953 2.780 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.941 13.895 3.894 1.00 0.00 C ATOM 968 NH1 ARG A 65 -4.952 12.791 4.632 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.657 14.945 4.273 1.00 0.00 N ATOM 0 H ARG A 65 -4.344 10.647 -1.750 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.177 13.225 -1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.147 11.535 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.456 11.095 0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.827 13.328 0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.394 13.972 0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.981 11.929 2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.547 12.699 2.951 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.227 14.819 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.401 11.981 4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.511 12.753 5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.650 15.797 3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.215 14.901 5.126 1.00 0.00 H new ATOM 983 N ALA A 66 -1.188 10.653 -2.180 1.00 0.00 N ATOM 984 CA ALA A 66 0.150 10.265 -2.592 1.00 0.00 C ATOM 985 C ALA A 66 0.469 10.881 -3.940 1.00 0.00 C ATOM 986 O ALA A 66 1.564 11.397 -4.156 1.00 0.00 O ATOM 987 CB ALA A 66 0.280 8.752 -2.638 1.00 0.00 C ATOM 0 H ALA A 66 -1.853 9.882 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 66 0.869 10.636 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.289 8.483 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.083 8.340 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.439 8.347 -3.350 1.00 0.00 H new ATOM 993 N LYS A 67 -0.508 10.849 -4.842 1.00 0.00 N ATOM 994 CA LYS A 67 -0.336 11.431 -6.161 1.00 0.00 C ATOM 995 C LYS A 67 -0.072 12.923 -6.032 1.00 0.00 C ATOM 996 O LYS A 67 0.853 13.462 -6.642 1.00 0.00 O ATOM 997 CB LYS A 67 -1.572 11.183 -7.026 1.00 0.00 C ATOM 998 CG LYS A 67 -1.674 9.758 -7.544 1.00 0.00 C ATOM 999 CD LYS A 67 -3.119 9.361 -7.803 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.230 7.911 -8.248 1.00 0.00 C ATOM 1001 NZ LYS A 67 -4.170 7.750 -9.392 1.00 0.00 N ATOM 0 H LYS A 67 -1.422 10.427 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 67 0.518 10.957 -6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.465 11.415 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.556 11.869 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.099 9.663 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.232 9.074 -6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.706 9.510 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.544 10.011 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.245 7.543 -8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.569 7.300 -7.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.217 6.747 -9.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.117 8.077 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.834 8.313 -10.199 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.878 13.581 -5.209 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.724 15.006 -4.961 1.00 0.00 C ATOM 1017 C ASN A 68 0.546 15.254 -4.154 1.00 0.00 C ATOM 1018 O ASN A 68 1.139 16.332 -4.212 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.939 15.546 -4.205 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.151 17.030 -4.432 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -3.008 17.434 -5.219 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.368 17.853 -3.743 1.00 0.00 N ATOM 0 H ASN A 68 -1.648 13.147 -4.700 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.648 15.526 -5.916 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.830 15.003 -4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.812 15.359 -3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.464 18.862 -3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.671 17.476 -3.101 1.00 0.00 H new ATOM 1029 N ALA A 69 0.959 14.235 -3.405 1.00 0.00 N ATOM 1030 CA ALA A 69 2.155 14.307 -2.578 1.00 0.00 C ATOM 1031 C ALA A 69 3.418 14.150 -3.419 1.00 0.00 C ATOM 1032 O ALA A 69 4.498 14.581 -3.016 1.00 0.00 O ATOM 1033 CB ALA A 69 2.104 13.228 -1.509 1.00 0.00 C ATOM 0 H ALA A 69 0.474 13.339 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 69 2.186 15.288 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.001 13.285 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.223 13.376 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.051 12.248 -1.983 1.00 0.00 H new ATOM 1039 N GLY A 70 3.279 13.522 -4.582 1.00 0.00 N ATOM 1040 CA GLY A 70 4.416 13.308 -5.453 1.00 0.00 C ATOM 1041 C GLY A 70 4.768 11.840 -5.553 1.00 0.00 C ATOM 1042 O GLY A 70 5.911 11.483 -5.843 1.00 0.00 O ATOM 0 H GLY A 70 2.395 13.157 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.194 13.699 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.274 13.864 -5.076 1.00 0.00 H new ATOM 1046 N PHE A 71 3.780 10.987 -5.299 1.00 0.00 N ATOM 1047 CA PHE A 71 3.974 9.549 -5.342 1.00 0.00 C ATOM 1048 C PHE A 71 2.862 8.902 -6.159 1.00 0.00 C ATOM 1049 O PHE A 71 1.737 9.392 -6.179 1.00 0.00 O ATOM 1050 CB PHE A 71 3.962 8.982 -3.923 1.00 0.00 C ATOM 1051 CG PHE A 71 4.486 9.938 -2.887 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.731 10.530 -3.040 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.733 10.250 -1.764 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.212 11.416 -2.094 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.210 11.136 -0.817 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.450 11.719 -0.981 1.00 0.00 C ATOM 0 H PHE A 71 2.831 11.274 -5.060 1.00 0.00 H new ATOM 0 HA PHE A 71 4.936 9.334 -5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.942 8.700 -3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.560 8.071 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.331 10.296 -3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.763 9.795 -1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.183 11.871 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.613 11.372 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.825 12.411 -0.241 1.00 0.00 H new ATOM 1066 N ASP A 72 3.170 7.798 -6.824 1.00 0.00 N ATOM 1067 CA ASP A 72 2.174 7.106 -7.629 1.00 0.00 C ATOM 1068 C ASP A 72 1.480 6.020 -6.813 1.00 0.00 C ATOM 1069 O ASP A 72 1.737 4.832 -7.003 1.00 0.00 O ATOM 1070 CB ASP A 72 2.828 6.489 -8.868 1.00 0.00 C ATOM 1071 CG ASP A 72 1.829 6.216 -9.976 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.799 6.922 -10.031 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.076 5.299 -10.786 1.00 0.00 O ATOM 0 H ASP A 72 4.094 7.365 -6.823 1.00 0.00 H new ATOM 0 HA ASP A 72 1.427 7.834 -7.946 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.603 7.160 -9.239 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.320 5.557 -8.589 1.00 0.00 H new ATOM 1078 N ALA A 73 0.593 6.430 -5.904 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.128 5.477 -5.068 1.00 0.00 C ATOM 1080 C ALA A 73 -1.406 4.991 -5.741 1.00 0.00 C ATOM 1081 O ALA A 73 -2.114 5.758 -6.394 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.464 6.100 -3.723 1.00 0.00 C ATOM 0 H ALA A 73 0.360 7.408 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 73 0.525 4.617 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.002 5.376 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.456 6.391 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.088 6.981 -3.876 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.703 3.709 -5.555 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.903 3.106 -6.115 1.00 0.00 C ATOM 1090 C ILE A 74 -3.590 2.248 -5.060 1.00 0.00 C ATOM 1091 O ILE A 74 -2.941 1.746 -4.144 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.592 2.240 -7.354 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.348 1.381 -7.118 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -2.406 3.121 -8.580 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.546 0.308 -6.071 1.00 0.00 C ATOM 0 H ILE A 74 -1.123 3.065 -5.017 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.560 3.917 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.437 1.574 -7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.057 0.911 -8.058 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.523 2.026 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.187 2.497 -9.447 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.319 3.688 -8.762 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.579 3.810 -8.411 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.624 -0.262 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.807 0.772 -5.120 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.349 -0.360 -6.382 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.899 2.076 -5.188 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.651 1.273 -4.230 1.00 0.00 C ATOM 1109 C VAL A 75 -5.938 -0.114 -4.786 1.00 0.00 C ATOM 1110 O VAL A 75 -6.311 -0.265 -5.950 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.973 1.960 -3.833 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.810 1.050 -2.939 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.693 3.283 -3.137 1.00 0.00 C ATOM 0 H VAL A 75 -5.460 2.478 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.032 1.174 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.542 2.159 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.738 1.556 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.040 0.128 -3.472 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.251 0.815 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.636 3.756 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.102 3.104 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.140 3.938 -3.810 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.760 -1.126 -3.946 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.997 -2.503 -4.351 1.00 0.00 C ATOM 1125 C ILE A 76 -6.755 -3.276 -3.277 1.00 0.00 C ATOM 1126 O ILE A 76 -6.442 -3.181 -2.087 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.675 -3.234 -4.656 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.699 -3.077 -3.488 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.059 -2.702 -5.942 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.513 -4.015 -3.561 1.00 0.00 C ATOM 0 H ILE A 76 -5.452 -1.017 -2.980 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.602 -2.463 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.887 -4.295 -4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.338 -2.049 -3.463 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.232 -3.251 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.126 -3.228 -6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.751 -2.860 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.858 -1.636 -5.835 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.864 -3.848 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.864 -5.047 -3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.956 -3.826 -4.479 1.00 0.00 H new