USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 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= -0.0133 X(o=-0.013,f=-0.36) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= 0.802 (180deg=0.13) USER MOD Single : A 22 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.5) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -20.9! C(o=-21!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.219) USER MOD Single : A 37 SER OG : rot -162:sc= -1.26! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= -0.189 (180deg=-0.991) USER MOD Single : A 49 GLN : amide:sc= -3.59! C(o=-3.6!,f=-5.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 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= -0.924 K(o=-0.92,f=-2.7!) USER MOD Single : A 61 THR OG1 : rot 89:sc= 1.14 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0887 X(o=-0.089,f=0.35!) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.191 -6.342 1.759 1.00 0.00 N ATOM 121 CA LEU A 9 -8.590 -5.203 2.430 1.00 0.00 C ATOM 122 C LEU A 9 -8.240 -4.126 1.423 1.00 0.00 C ATOM 123 O LEU A 9 -7.743 -4.420 0.336 1.00 0.00 O ATOM 124 CB LEU A 9 -7.340 -5.631 3.202 1.00 0.00 C ATOM 125 CG LEU A 9 -7.604 -6.512 4.424 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.304 -7.093 4.954 1.00 0.00 C ATOM 127 CD2 LEU A 9 -8.319 -5.719 5.507 1.00 0.00 C ATOM 0 HA LEU A 9 -9.313 -4.800 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.678 -6.168 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.808 -4.737 3.526 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.248 -7.338 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.512 -7.717 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.832 -7.697 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.634 -6.283 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.499 -6.361 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.700 -4.873 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.271 -5.353 5.122 1.00 0.00 H new ATOM 139 N TYR A 10 -8.490 -2.880 1.787 1.00 0.00 N ATOM 140 CA TYR A 10 -8.189 -1.767 0.910 1.00 0.00 C ATOM 141 C TYR A 10 -6.900 -1.098 1.346 1.00 0.00 C ATOM 142 O TYR A 10 -6.861 -0.389 2.351 1.00 0.00 O ATOM 143 CB TYR A 10 -9.345 -0.770 0.903 1.00 0.00 C ATOM 144 CG TYR A 10 -10.690 -1.422 0.665 1.00 0.00 C ATOM 145 CD1 TYR A 10 -11.041 -1.885 -0.596 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.603 -1.577 1.697 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.263 -2.487 -0.821 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.831 -2.177 1.479 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.155 -2.629 0.219 1.00 0.00 C ATOM 150 OH TYR A 10 -14.374 -3.228 -0.001 1.00 0.00 O ATOM 0 H TYR A 10 -8.900 -2.616 2.683 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.058 -2.140 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.367 -0.242 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.168 -0.023 0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.346 -1.772 -1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.352 -1.224 2.686 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.518 -2.845 -1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.532 -2.290 2.293 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.883 -3.250 0.836 1.00 0.00 H new ATOM 160 N LYS A 11 -5.845 -1.322 0.576 1.00 0.00 N ATOM 161 CA LYS A 11 -4.543 -0.735 0.877 1.00 0.00 C ATOM 162 C LYS A 11 -4.022 0.049 -0.322 1.00 0.00 C ATOM 163 O LYS A 11 -4.385 -0.239 -1.463 1.00 0.00 O ATOM 164 CB LYS A 11 -3.542 -1.824 1.265 1.00 0.00 C ATOM 165 CG LYS A 11 -4.128 -2.897 2.171 1.00 0.00 C ATOM 166 CD LYS A 11 -4.083 -4.270 1.518 1.00 0.00 C ATOM 167 CE LYS A 11 -3.623 -5.340 2.495 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.983 -6.491 1.801 1.00 0.00 N ATOM 0 H LYS A 11 -5.863 -1.905 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.662 -0.052 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.161 -2.294 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.692 -1.362 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.575 -2.922 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.160 -2.644 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.072 -4.525 1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.409 -4.244 0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.917 -4.905 3.203 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.477 -5.694 3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.684 -7.197 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.664 -6.923 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.153 -6.158 1.270 1.00 0.00 H new ATOM 182 N VAL A 12 -3.166 1.037 -0.068 1.00 0.00 N ATOM 183 CA VAL A 12 -2.611 1.842 -1.149 1.00 0.00 C ATOM 184 C VAL A 12 -1.146 1.472 -1.384 1.00 0.00 C ATOM 185 O VAL A 12 -0.413 1.218 -0.441 1.00 0.00 O ATOM 186 CB VAL A 12 -2.725 3.363 -0.874 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.073 4.110 -2.145 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.765 3.675 0.193 1.00 0.00 C ATOM 0 H VAL A 12 -2.846 1.296 0.865 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.198 1.624 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.752 3.691 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.149 5.176 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.295 3.943 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.027 3.749 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.810 4.752 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.741 3.315 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.490 3.181 1.125 1.00 0.00 H new ATOM 198 N GLN A 13 -0.736 1.423 -2.647 1.00 0.00 N ATOM 199 CA GLN A 13 0.640 1.063 -2.990 1.00 0.00 C ATOM 200 C GLN A 13 1.223 2.026 -4.016 1.00 0.00 C ATOM 201 O GLN A 13 0.562 2.382 -4.991 1.00 0.00 O ATOM 202 CB GLN A 13 0.695 -0.368 -3.528 1.00 0.00 C ATOM 203 CG GLN A 13 2.075 -0.996 -3.449 1.00 0.00 C ATOM 204 CD GLN A 13 2.028 -2.511 -3.480 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.325 -3.173 -2.486 1.00 0.00 O ATOM 206 NE2 GLN A 13 1.654 -3.071 -4.626 1.00 0.00 N ATOM 0 H GLN A 13 -1.332 1.627 -3.449 1.00 0.00 H new ATOM 0 HA GLN A 13 1.239 1.129 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.008 -0.985 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.363 -0.370 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.681 -0.638 -4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.567 -0.670 -2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.416 -2.485 -5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.605 -4.087 -4.705 1.00 0.00 H new ATOM 215 N ILE A 14 2.459 2.456 -3.785 1.00 0.00 N ATOM 216 CA ILE A 14 3.111 3.393 -4.691 1.00 0.00 C ATOM 217 C ILE A 14 4.224 2.748 -5.519 1.00 0.00 C ATOM 218 O ILE A 14 4.778 3.395 -6.409 1.00 0.00 O ATOM 219 CB ILE A 14 3.691 4.601 -3.934 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.635 4.126 -2.820 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.564 5.470 -3.389 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.185 4.474 -1.417 1.00 0.00 C ATOM 0 H ILE A 14 3.025 2.173 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 14 2.328 3.726 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 14 4.275 5.211 -4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.746 3.044 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.621 4.560 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.987 6.321 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.949 5.828 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.949 4.883 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.913 4.099 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.103 5.556 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.214 4.018 -1.222 1.00 0.00 H new ATOM 234 N GLY A 15 4.547 1.478 -5.256 1.00 0.00 N ATOM 235 CA GLY A 15 5.586 0.837 -6.047 1.00 0.00 C ATOM 236 C GLY A 15 6.221 -0.379 -5.393 1.00 0.00 C ATOM 237 O GLY A 15 5.958 -0.690 -4.232 1.00 0.00 O ATOM 0 H GLY A 15 4.122 0.899 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.162 0.537 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.366 1.568 -6.258 1.00 0.00 H new ATOM 241 N ALA A 16 7.086 -1.041 -6.159 1.00 0.00 N ATOM 242 CA ALA A 16 7.823 -2.213 -5.699 1.00 0.00 C ATOM 243 C ALA A 16 9.156 -2.298 -6.442 1.00 0.00 C ATOM 244 O ALA A 16 9.218 -2.003 -7.635 1.00 0.00 O ATOM 245 CB ALA A 16 7.010 -3.486 -5.901 1.00 0.00 C ATOM 0 H ALA A 16 7.295 -0.777 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 16 8.014 -2.113 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.584 -4.344 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.079 -3.417 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.785 -3.610 -6.960 1.00 0.00 H new ATOM 251 N PHE A 17 10.219 -2.693 -5.751 1.00 0.00 N ATOM 252 CA PHE A 17 11.531 -2.794 -6.385 1.00 0.00 C ATOM 253 C PHE A 17 12.353 -3.924 -5.782 1.00 0.00 C ATOM 254 O PHE A 17 12.217 -4.246 -4.604 1.00 0.00 O ATOM 255 CB PHE A 17 12.296 -1.477 -6.250 1.00 0.00 C ATOM 256 CG PHE A 17 11.437 -0.258 -6.431 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.744 0.281 -5.359 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.326 0.349 -7.671 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.956 1.403 -5.521 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.537 1.472 -7.839 1.00 0.00 C ATOM 261 CZ PHE A 17 9.851 1.999 -6.763 1.00 0.00 C ATOM 0 H PHE A 17 10.201 -2.946 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 17 11.368 -3.010 -7.441 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.764 -1.438 -5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.100 -1.457 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.821 -0.182 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.861 -0.059 -8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.422 1.815 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.457 1.936 -8.811 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.233 2.876 -6.892 1.00 0.00 H new ATOM 271 N LYS A 18 13.216 -4.518 -6.600 1.00 0.00 N ATOM 272 CA LYS A 18 14.068 -5.611 -6.151 1.00 0.00 C ATOM 273 C LYS A 18 15.004 -5.168 -5.028 1.00 0.00 C ATOM 274 O LYS A 18 15.630 -6.000 -4.372 1.00 0.00 O ATOM 275 CB LYS A 18 14.889 -6.155 -7.323 1.00 0.00 C ATOM 276 CG LYS A 18 15.750 -5.103 -8.005 1.00 0.00 C ATOM 277 CD LYS A 18 16.092 -5.502 -9.432 1.00 0.00 C ATOM 278 CE LYS A 18 15.951 -4.327 -10.386 1.00 0.00 C ATOM 279 NZ LYS A 18 14.653 -4.355 -11.115 1.00 0.00 N ATOM 0 H LYS A 18 13.343 -4.260 -7.579 1.00 0.00 H new ATOM 0 HA LYS A 18 13.421 -6.397 -5.762 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.530 -6.960 -6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.212 -6.591 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.224 -4.148 -8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.669 -4.959 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.113 -5.883 -9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.437 -6.313 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.034 -3.394 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.771 -4.342 -11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.597 -3.537 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.584 -5.233 -11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.870 -4.314 -10.432 1.00 0.00 H new ATOM 293 N VAL A 19 15.107 -3.858 -4.811 1.00 0.00 N ATOM 294 CA VAL A 19 15.978 -3.329 -3.770 1.00 0.00 C ATOM 295 C VAL A 19 15.189 -2.801 -2.576 1.00 0.00 C ATOM 296 O VAL A 19 14.303 -1.958 -2.722 1.00 0.00 O ATOM 297 CB VAL A 19 16.873 -2.198 -4.313 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.917 -1.799 -3.282 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.534 -2.619 -5.617 1.00 0.00 C ATOM 0 H VAL A 19 14.600 -3.149 -5.340 1.00 0.00 H new ATOM 0 HA VAL A 19 16.599 -4.162 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 19 16.246 -1.330 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.539 -0.999 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.420 -1.451 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.542 -2.660 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.162 -1.808 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.148 -3.503 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.767 -2.848 -6.356 1.00 0.00 H new ATOM 309 N LYS A 20 15.531 -3.302 -1.393 1.00 0.00 N ATOM 310 CA LYS A 20 14.879 -2.894 -0.158 1.00 0.00 C ATOM 311 C LYS A 20 15.198 -1.442 0.155 1.00 0.00 C ATOM 312 O LYS A 20 14.319 -0.681 0.552 1.00 0.00 O ATOM 313 CB LYS A 20 15.333 -3.787 0.998 1.00 0.00 C ATOM 314 CG LYS A 20 14.636 -3.479 2.314 1.00 0.00 C ATOM 315 CD LYS A 20 15.537 -2.690 3.251 1.00 0.00 C ATOM 316 CE LYS A 20 14.727 -1.882 4.252 1.00 0.00 C ATOM 317 NZ LYS A 20 15.567 -0.887 4.974 1.00 0.00 N ATOM 0 H LYS A 20 16.265 -3.999 -1.266 1.00 0.00 H new ATOM 0 HA LYS A 20 13.801 -2.997 -0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.151 -4.829 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.409 -3.676 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.725 -2.912 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.336 -4.410 2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.198 -3.374 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.172 -2.021 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.919 -1.366 3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.264 -2.556 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.954 -0.185 5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.140 -1.373 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.194 -0.407 4.298 1.00 0.00 H new ATOM 331 N ALA A 21 16.457 -1.051 -0.041 1.00 0.00 N ATOM 332 CA ALA A 21 16.868 0.325 0.210 1.00 0.00 C ATOM 333 C ALA A 21 15.999 1.280 -0.594 1.00 0.00 C ATOM 334 O ALA A 21 15.716 2.399 -0.165 1.00 0.00 O ATOM 335 CB ALA A 21 18.338 0.513 -0.139 1.00 0.00 C ATOM 0 H ALA A 21 17.203 -1.664 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 21 16.740 0.544 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.629 1.546 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.945 -0.155 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.494 0.283 -1.193 1.00 0.00 H new ATOM 341 N ASN A 22 15.554 0.812 -1.756 1.00 0.00 N ATOM 342 CA ASN A 22 14.691 1.600 -2.615 1.00 0.00 C ATOM 343 C ASN A 22 13.269 1.561 -2.078 1.00 0.00 C ATOM 344 O ASN A 22 12.529 2.540 -2.174 1.00 0.00 O ATOM 345 CB ASN A 22 14.729 1.067 -4.050 1.00 0.00 C ATOM 346 CG ASN A 22 16.025 1.409 -4.759 1.00 0.00 C ATOM 347 OD1 ASN A 22 16.888 2.090 -4.206 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.167 0.938 -5.992 1.00 0.00 N ATOM 0 H ASN A 22 15.780 -0.113 -2.121 1.00 0.00 H new ATOM 0 HA ASN A 22 15.045 2.631 -2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.600 -0.015 -4.036 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.891 1.481 -4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.017 1.137 -6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.426 0.377 -6.412 1.00 0.00 H new ATOM 355 N ALA A 23 12.896 0.422 -1.495 1.00 0.00 N ATOM 356 CA ALA A 23 11.563 0.266 -0.925 1.00 0.00 C ATOM 357 C ALA A 23 11.436 1.040 0.387 1.00 0.00 C ATOM 358 O ALA A 23 10.331 1.353 0.832 1.00 0.00 O ATOM 359 CB ALA A 23 11.250 -1.207 -0.708 1.00 0.00 C ATOM 0 H ALA A 23 13.495 -0.399 -1.406 1.00 0.00 H new ATOM 0 HA ALA A 23 10.840 0.676 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.252 -1.308 -0.282 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.292 -1.732 -1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.981 -1.637 -0.024 1.00 0.00 H new ATOM 365 N ASP A 24 12.577 1.353 0.998 1.00 0.00 N ATOM 366 CA ASP A 24 12.601 2.093 2.254 1.00 0.00 C ATOM 367 C ASP A 24 12.522 3.590 1.994 1.00 0.00 C ATOM 368 O ASP A 24 11.862 4.325 2.731 1.00 0.00 O ATOM 369 CB ASP A 24 13.870 1.765 3.041 1.00 0.00 C ATOM 370 CG ASP A 24 13.625 1.701 4.536 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.731 2.753 5.200 1.00 0.00 O ATOM 372 OD2 ASP A 24 13.325 0.600 5.043 1.00 0.00 O ATOM 0 H ASP A 24 13.499 1.104 0.640 1.00 0.00 H new ATOM 0 HA ASP A 24 11.734 1.795 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.268 0.809 2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.629 2.519 2.832 1.00 0.00 H new ATOM 377 N SER A 25 13.181 4.036 0.931 1.00 0.00 N ATOM 378 CA SER A 25 13.165 5.447 0.565 1.00 0.00 C ATOM 379 C SER A 25 11.757 5.848 0.147 1.00 0.00 C ATOM 380 O SER A 25 11.282 6.940 0.462 1.00 0.00 O ATOM 381 CB SER A 25 14.154 5.718 -0.572 1.00 0.00 C ATOM 382 OG SER A 25 15.084 6.724 -0.209 1.00 0.00 O ATOM 0 H SER A 25 13.731 3.443 0.309 1.00 0.00 H new ATOM 0 HA SER A 25 13.467 6.041 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.686 4.800 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.611 6.026 -1.465 1.00 0.00 H new ATOM 0 HG SER A 25 15.706 6.878 -0.951 1.00 0.00 H new ATOM 388 N LEU A 26 11.091 4.939 -0.556 1.00 0.00 N ATOM 389 CA LEU A 26 9.731 5.165 -1.016 1.00 0.00 C ATOM 390 C LEU A 26 8.778 5.248 0.175 1.00 0.00 C ATOM 391 O LEU A 26 8.011 6.204 0.313 1.00 0.00 O ATOM 392 CB LEU A 26 9.312 4.036 -1.959 1.00 0.00 C ATOM 393 CG LEU A 26 7.949 4.206 -2.637 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.918 5.466 -3.487 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.628 2.988 -3.489 1.00 0.00 C ATOM 0 H LEU A 26 11.477 4.033 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 26 9.688 6.111 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.072 3.934 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.303 3.102 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 26 7.192 4.302 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.940 5.564 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.106 6.335 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.686 5.404 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.657 3.123 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.394 2.868 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.603 2.099 -2.858 1.00 0.00 H new ATOM 407 N ALA A 27 8.848 4.247 1.048 1.00 0.00 N ATOM 408 CA ALA A 27 8.010 4.218 2.240 1.00 0.00 C ATOM 409 C ALA A 27 8.243 5.464 3.090 1.00 0.00 C ATOM 410 O ALA A 27 7.380 5.874 3.866 1.00 0.00 O ATOM 411 CB ALA A 27 8.289 2.960 3.050 1.00 0.00 C ATOM 0 H ALA A 27 9.475 3.448 0.952 1.00 0.00 H new ATOM 0 HA ALA A 27 6.965 4.207 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.656 2.951 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.074 2.081 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.337 2.946 3.351 1.00 0.00 H new ATOM 417 N SER A 28 9.420 6.064 2.928 1.00 0.00 N ATOM 418 CA SER A 28 9.778 7.268 3.668 1.00 0.00 C ATOM 419 C SER A 28 9.008 8.472 3.137 1.00 0.00 C ATOM 420 O SER A 28 8.529 9.305 3.907 1.00 0.00 O ATOM 421 CB SER A 28 11.282 7.523 3.571 1.00 0.00 C ATOM 422 OG SER A 28 11.724 8.370 4.621 1.00 0.00 O ATOM 0 H SER A 28 10.143 5.734 2.289 1.00 0.00 H new ATOM 0 HA SER A 28 9.512 7.119 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.818 6.575 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.516 7.979 2.609 1.00 0.00 H new ATOM 0 HG SER A 28 12.689 8.517 4.538 1.00 0.00 H new ATOM 428 N ASN A 29 8.887 8.556 1.813 1.00 0.00 N ATOM 429 CA ASN A 29 8.170 9.659 1.186 1.00 0.00 C ATOM 430 C ASN A 29 6.725 9.701 1.668 1.00 0.00 C ATOM 431 O ASN A 29 6.211 10.757 2.034 1.00 0.00 O ATOM 432 CB ASN A 29 8.229 9.539 -0.346 1.00 0.00 C ATOM 433 CG ASN A 29 7.098 8.719 -0.943 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.922 9.032 -0.770 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.451 7.667 -1.665 1.00 0.00 N ATOM 0 H ASN A 29 9.275 7.876 1.159 1.00 0.00 H new ATOM 0 HA ASN A 29 8.653 10.592 1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.208 10.539 -0.780 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.180 9.088 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.736 7.084 -2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.438 7.439 -1.786 1.00 0.00 H new ATOM 442 N ALA A 30 6.076 8.542 1.666 1.00 0.00 N ATOM 443 CA ALA A 30 4.691 8.448 2.104 1.00 0.00 C ATOM 444 C ALA A 30 4.564 8.862 3.562 1.00 0.00 C ATOM 445 O ALA A 30 3.618 9.553 3.943 1.00 0.00 O ATOM 446 CB ALA A 30 4.165 7.039 1.904 1.00 0.00 C ATOM 0 H ALA A 30 6.486 7.658 1.367 1.00 0.00 H new ATOM 0 HA ALA A 30 4.092 9.129 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.128 6.987 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.221 6.776 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.768 6.340 2.484 1.00 0.00 H new ATOM 452 N GLU A 31 5.526 8.439 4.374 1.00 0.00 N ATOM 453 CA GLU A 31 5.524 8.771 5.793 1.00 0.00 C ATOM 454 C GLU A 31 5.446 10.282 5.983 1.00 0.00 C ATOM 455 O GLU A 31 4.781 10.773 6.895 1.00 0.00 O ATOM 456 CB GLU A 31 6.779 8.219 6.473 1.00 0.00 C ATOM 457 CG GLU A 31 6.846 8.524 7.959 1.00 0.00 C ATOM 458 CD GLU A 31 8.029 7.858 8.638 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.994 7.499 7.929 1.00 0.00 O ATOM 460 OE2 GLU A 31 7.989 7.696 9.875 1.00 0.00 O ATOM 0 H GLU A 31 6.315 7.867 4.075 1.00 0.00 H new ATOM 0 HA GLU A 31 4.648 8.313 6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.815 7.139 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.660 8.635 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.909 9.603 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.924 8.193 8.436 1.00 0.00 H new ATOM 467 N ALA A 32 6.124 11.010 5.101 1.00 0.00 N ATOM 468 CA ALA A 32 6.132 12.467 5.145 1.00 0.00 C ATOM 469 C ALA A 32 4.707 13.000 5.135 1.00 0.00 C ATOM 470 O ALA A 32 4.332 13.814 5.979 1.00 0.00 O ATOM 471 CB ALA A 32 6.923 13.028 3.973 1.00 0.00 C ATOM 0 H ALA A 32 6.678 10.611 4.343 1.00 0.00 H new ATOM 0 HA ALA A 32 6.615 12.788 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.920 14.117 4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.950 12.666 4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.467 12.704 3.038 1.00 0.00 H new ATOM 477 N LYS A 33 3.910 12.518 4.187 1.00 0.00 N ATOM 478 CA LYS A 33 2.517 12.933 4.097 1.00 0.00 C ATOM 479 C LYS A 33 1.791 12.512 5.366 1.00 0.00 C ATOM 480 O LYS A 33 0.829 13.152 5.793 1.00 0.00 O ATOM 481 CB LYS A 33 1.844 12.301 2.882 1.00 0.00 C ATOM 482 CG LYS A 33 2.085 13.056 1.587 1.00 0.00 C ATOM 483 CD LYS A 33 1.314 14.366 1.552 1.00 0.00 C ATOM 484 CE LYS A 33 2.234 15.564 1.741 1.00 0.00 C ATOM 485 NZ LYS A 33 2.479 16.282 0.461 1.00 0.00 N ATOM 0 H LYS A 33 4.202 11.846 3.477 1.00 0.00 H new ATOM 0 HA LYS A 33 2.474 14.017 3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.205 11.279 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.771 12.241 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.150 13.257 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.787 12.435 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.791 14.455 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.555 14.363 2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.793 16.250 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.184 15.230 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.904 17.210 0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.126 15.724 -0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.578 16.415 -0.041 1.00 0.00 H new ATOM 499 N GLY A 34 2.280 11.434 5.971 1.00 0.00 N ATOM 500 CA GLY A 34 1.703 10.932 7.195 1.00 0.00 C ATOM 501 C GLY A 34 0.960 9.629 6.991 1.00 0.00 C ATOM 502 O GLY A 34 -0.015 9.346 7.687 1.00 0.00 O ATOM 0 H GLY A 34 3.076 10.897 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.492 10.785 7.932 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.020 11.677 7.603 1.00 0.00 H new ATOM 506 N PHE A 35 1.429 8.830 6.041 1.00 0.00 N ATOM 507 CA PHE A 35 0.811 7.549 5.754 1.00 0.00 C ATOM 508 C PHE A 35 1.593 6.416 6.400 1.00 0.00 C ATOM 509 O PHE A 35 2.786 6.544 6.671 1.00 0.00 O ATOM 510 CB PHE A 35 0.733 7.331 4.246 1.00 0.00 C ATOM 511 CG PHE A 35 0.192 8.516 3.501 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.759 9.343 4.079 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.641 8.804 2.227 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.252 10.436 3.395 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.154 9.897 1.538 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.793 10.714 2.122 1.00 0.00 C ATOM 0 H PHE A 35 2.236 9.050 5.458 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.197 7.555 6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.728 7.097 3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.103 6.465 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.118 9.130 5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.381 8.167 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.995 11.072 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.514 10.113 0.543 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.175 11.569 1.584 1.00 0.00 H new ATOM 526 N ASP A 36 0.916 5.302 6.630 1.00 0.00 N ATOM 527 CA ASP A 36 1.551 4.139 7.227 1.00 0.00 C ATOM 528 C ASP A 36 2.214 3.304 6.144 1.00 0.00 C ATOM 529 O ASP A 36 1.567 2.463 5.515 1.00 0.00 O ATOM 530 CB ASP A 36 0.523 3.298 7.988 1.00 0.00 C ATOM 531 CG ASP A 36 0.224 3.857 9.367 1.00 0.00 C ATOM 532 OD1 ASP A 36 0.163 5.097 9.503 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.050 3.054 10.306 1.00 0.00 O ATOM 0 H ASP A 36 -0.073 5.179 6.412 1.00 0.00 H new ATOM 0 HA ASP A 36 2.309 4.476 7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.400 3.249 7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.893 2.277 8.085 1.00 0.00 H new ATOM 538 N SER A 37 3.498 3.550 5.905 1.00 0.00 N ATOM 539 CA SER A 37 4.222 2.829 4.869 1.00 0.00 C ATOM 540 C SER A 37 4.657 1.461 5.365 1.00 0.00 C ATOM 541 O SER A 37 4.749 1.218 6.568 1.00 0.00 O ATOM 542 CB SER A 37 5.442 3.631 4.415 1.00 0.00 C ATOM 543 OG SER A 37 6.431 3.677 5.430 1.00 0.00 O ATOM 0 H SER A 37 4.054 4.239 6.412 1.00 0.00 H new ATOM 0 HA SER A 37 3.551 2.693 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.861 3.182 3.515 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.138 4.645 4.154 1.00 0.00 H new ATOM 0 HG SER A 37 7.057 4.407 5.243 1.00 0.00 H new ATOM 549 N ILE A 38 4.897 0.561 4.423 1.00 0.00 N ATOM 550 CA ILE A 38 5.291 -0.801 4.745 1.00 0.00 C ATOM 551 C ILE A 38 6.025 -1.443 3.572 1.00 0.00 C ATOM 552 O ILE A 38 5.651 -1.252 2.414 1.00 0.00 O ATOM 553 CB ILE A 38 4.048 -1.642 5.106 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.347 -3.144 5.021 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.887 -1.269 4.192 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.630 -3.966 6.068 1.00 0.00 C ATOM 0 H ILE A 38 4.825 0.752 3.424 1.00 0.00 H new ATOM 0 HA ILE A 38 5.965 -0.768 5.601 1.00 0.00 H new ATOM 0 HB ILE A 38 3.772 -1.422 6.137 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.066 -3.506 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.421 -3.298 5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.013 -1.866 4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.653 -0.211 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.163 -1.462 3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.890 -5.018 5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.929 -3.631 7.061 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.553 -3.843 5.953 1.00 0.00 H new ATOM 568 N VAL A 39 7.071 -2.203 3.876 1.00 0.00 N ATOM 569 CA VAL A 39 7.851 -2.868 2.841 1.00 0.00 C ATOM 570 C VAL A 39 7.777 -4.384 2.981 1.00 0.00 C ATOM 571 O VAL A 39 8.236 -4.945 3.978 1.00 0.00 O ATOM 572 CB VAL A 39 9.327 -2.432 2.884 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.082 -2.985 1.684 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.435 -0.916 2.938 1.00 0.00 C ATOM 0 H VAL A 39 7.397 -2.373 4.827 1.00 0.00 H new ATOM 0 HA VAL A 39 7.419 -2.574 1.884 1.00 0.00 H new ATOM 0 HB VAL A 39 9.780 -2.838 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.123 -2.667 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.035 -4.074 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.630 -2.611 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.486 -0.627 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.965 -0.486 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.932 -0.547 3.832 1.00 0.00 H new ATOM 584 N LEU A 40 7.204 -5.050 1.980 1.00 0.00 N ATOM 585 CA LEU A 40 7.084 -6.504 2.006 1.00 0.00 C ATOM 586 C LEU A 40 8.001 -7.138 0.970 1.00 0.00 C ATOM 587 O LEU A 40 7.919 -6.829 -0.219 1.00 0.00 O ATOM 588 CB LEU A 40 5.632 -6.935 1.757 1.00 0.00 C ATOM 589 CG LEU A 40 5.455 -8.199 0.902 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.237 -9.367 1.488 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.979 -8.553 0.774 1.00 0.00 C ATOM 0 H LEU A 40 6.818 -4.608 1.146 1.00 0.00 H new ATOM 0 HA LEU A 40 7.384 -6.848 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.150 -7.099 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.105 -6.113 1.272 1.00 0.00 H new ATOM 0 HG LEU A 40 5.850 -7.994 -0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.095 -10.249 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.297 -9.114 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.880 -9.574 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.872 -9.451 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.561 -8.734 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.447 -7.728 0.301 1.00 0.00 H new ATOM 682 N TYR A 46 10.678 -6.112 -3.581 1.00 0.00 N ATOM 683 CA TYR A 46 10.189 -5.454 -2.374 1.00 0.00 C ATOM 684 C TYR A 46 9.047 -4.505 -2.731 1.00 0.00 C ATOM 685 O TYR A 46 9.147 -3.746 -3.692 1.00 0.00 O ATOM 686 CB TYR A 46 11.311 -4.662 -1.692 1.00 0.00 C ATOM 687 CG TYR A 46 12.279 -5.516 -0.909 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.166 -6.363 -1.558 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.304 -5.477 0.478 1.00 0.00 C ATOM 690 CE1 TYR A 46 14.053 -7.147 -0.848 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.189 -6.258 1.197 1.00 0.00 C ATOM 692 CZ TYR A 46 14.061 -7.091 0.529 1.00 0.00 C ATOM 693 OH TYR A 46 14.943 -7.871 1.241 1.00 0.00 O ATOM 0 HA TYR A 46 9.833 -6.221 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.863 -4.108 -2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.867 -3.927 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.162 -6.410 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.621 -4.826 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.737 -7.801 -1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.197 -6.216 2.276 1.00 0.00 H new ATOM 0 HH TYR A 46 14.820 -7.712 2.200 1.00 0.00 H new ATOM 703 N LYS A 47 7.963 -4.554 -1.967 1.00 0.00 N ATOM 704 CA LYS A 47 6.813 -3.695 -2.230 1.00 0.00 C ATOM 705 C LYS A 47 6.700 -2.580 -1.209 1.00 0.00 C ATOM 706 O LYS A 47 7.072 -2.742 -0.051 1.00 0.00 O ATOM 707 CB LYS A 47 5.524 -4.512 -2.232 1.00 0.00 C ATOM 708 CG LYS A 47 5.213 -5.125 -3.579 1.00 0.00 C ATOM 709 CD LYS A 47 6.153 -6.272 -3.881 1.00 0.00 C ATOM 710 CE LYS A 47 5.730 -7.534 -3.158 1.00 0.00 C ATOM 711 NZ LYS A 47 4.334 -7.929 -3.488 1.00 0.00 N ATOM 0 H LYS A 47 7.855 -5.175 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 47 6.964 -3.247 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.602 -5.305 -1.488 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.695 -3.872 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.183 -5.481 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.298 -4.366 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.174 -6.455 -4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.167 -6.002 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.408 -8.346 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.818 -7.381 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.229 -8.958 -3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.675 -7.442 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.122 -7.664 -4.471 1.00 0.00 H new ATOM 725 N VAL A 48 6.173 -1.450 -1.657 1.00 0.00 N ATOM 726 CA VAL A 48 5.990 -0.294 -0.797 1.00 0.00 C ATOM 727 C VAL A 48 4.521 0.112 -0.747 1.00 0.00 C ATOM 728 O VAL A 48 4.009 0.749 -1.669 1.00 0.00 O ATOM 729 CB VAL A 48 6.844 0.889 -1.276 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.627 2.107 -0.390 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.317 0.500 -1.309 1.00 0.00 C ATOM 0 H VAL A 48 5.863 -1.310 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 48 6.314 -0.571 0.206 1.00 0.00 H new ATOM 0 HB VAL A 48 6.533 1.150 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.242 2.932 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.577 2.397 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.906 1.865 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.910 1.349 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.640 0.211 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.457 -0.338 -1.992 1.00 0.00 H new ATOM 741 N GLN A 49 3.848 -0.274 0.332 1.00 0.00 N ATOM 742 CA GLN A 49 2.434 0.033 0.508 1.00 0.00 C ATOM 743 C GLN A 49 2.232 1.107 1.572 1.00 0.00 C ATOM 744 O GLN A 49 2.923 1.125 2.590 1.00 0.00 O ATOM 745 CB GLN A 49 1.674 -1.237 0.896 1.00 0.00 C ATOM 746 CG GLN A 49 0.171 -1.137 0.708 1.00 0.00 C ATOM 747 CD GLN A 49 -0.555 -2.395 1.148 1.00 0.00 C ATOM 748 OE1 GLN A 49 -1.091 -3.135 0.325 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.576 -2.639 2.454 1.00 0.00 N ATOM 0 H GLN A 49 4.262 -0.802 1.100 1.00 0.00 H new ATOM 0 HA GLN A 49 2.046 0.416 -0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.050 -2.069 0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.885 -1.470 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.207 -0.286 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.048 -0.943 -0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.117 -1.997 3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.051 -3.469 2.810 1.00 0.00 H new ATOM 758 N ILE A 50 1.271 1.997 1.335 1.00 0.00 N ATOM 759 CA ILE A 50 0.971 3.065 2.272 1.00 0.00 C ATOM 760 C ILE A 50 -0.534 3.235 2.470 1.00 0.00 C ATOM 761 O ILE A 50 -1.288 3.452 1.525 1.00 0.00 O ATOM 762 CB ILE A 50 1.610 4.394 1.839 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.287 4.722 0.378 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.112 4.308 2.050 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.230 5.790 0.221 1.00 0.00 C ATOM 0 H ILE A 50 0.688 1.995 0.498 1.00 0.00 H new ATOM 0 HA ILE A 50 1.406 2.776 3.229 1.00 0.00 H new ATOM 0 HB ILE A 50 1.198 5.200 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.199 5.047 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.953 3.814 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.576 5.246 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.321 4.124 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.517 3.492 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.051 5.972 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.695 5.459 0.693 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.570 6.711 0.695 1.00 0.00 H new ATOM 777 N GLY A 51 -0.942 3.137 3.728 1.00 0.00 N ATOM 778 CA GLY A 51 -2.339 3.280 4.090 1.00 0.00 C ATOM 779 C GLY A 51 -3.148 2.022 3.839 1.00 0.00 C ATOM 780 O GLY A 51 -3.466 1.698 2.695 1.00 0.00 O ATOM 0 H GLY A 51 -0.319 2.958 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.410 3.547 5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.773 4.104 3.523 1.00 0.00 H new ATOM 784 N ALA A 52 -3.486 1.317 4.912 1.00 0.00 N ATOM 785 CA ALA A 52 -4.270 0.092 4.812 1.00 0.00 C ATOM 786 C ALA A 52 -5.466 0.147 5.756 1.00 0.00 C ATOM 787 O ALA A 52 -5.305 0.152 6.976 1.00 0.00 O ATOM 788 CB ALA A 52 -3.403 -1.120 5.121 1.00 0.00 C ATOM 0 H ALA A 52 -3.228 1.574 5.865 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.640 0.000 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.003 -2.026 5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.578 -1.168 4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.006 -1.035 6.132 1.00 0.00 H new ATOM 794 N PHE A 53 -6.667 0.204 5.188 1.00 0.00 N ATOM 795 CA PHE A 53 -7.884 0.276 5.987 1.00 0.00 C ATOM 796 C PHE A 53 -8.911 -0.757 5.540 1.00 0.00 C ATOM 797 O PHE A 53 -8.741 -1.421 4.515 1.00 0.00 O ATOM 798 CB PHE A 53 -8.494 1.679 5.900 1.00 0.00 C ATOM 799 CG PHE A 53 -7.473 2.779 5.819 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.742 2.980 4.659 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.245 3.613 6.904 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.805 3.991 4.580 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.307 4.625 6.831 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.586 4.814 5.668 1.00 0.00 C ATOM 0 H PHE A 53 -6.822 0.202 4.180 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.611 0.060 7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.141 1.731 5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.126 1.845 6.773 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.907 2.338 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.807 3.470 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.244 4.138 3.669 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.138 5.268 7.682 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.852 5.604 5.609 1.00 0.00 H new ATOM 814 N SER A 54 -9.981 -0.881 6.319 1.00 0.00 N ATOM 815 CA SER A 54 -11.050 -1.824 6.014 1.00 0.00 C ATOM 816 C SER A 54 -11.999 -1.254 4.963 1.00 0.00 C ATOM 817 O SER A 54 -12.761 -1.992 4.341 1.00 0.00 O ATOM 818 CB SER A 54 -11.827 -2.174 7.285 1.00 0.00 C ATOM 819 OG SER A 54 -12.102 -3.562 7.349 1.00 0.00 O ATOM 0 H SER A 54 -10.130 -0.338 7.169 1.00 0.00 H new ATOM 0 HA SER A 54 -10.597 -2.730 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.252 -1.873 8.161 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.762 -1.614 7.310 1.00 0.00 H new ATOM 0 HG SER A 54 -12.598 -3.760 8.171 1.00 0.00 H new ATOM 825 N SER A 55 -11.947 0.063 4.767 1.00 0.00 N ATOM 826 CA SER A 55 -12.805 0.726 3.789 1.00 0.00 C ATOM 827 C SER A 55 -11.979 1.323 2.651 1.00 0.00 C ATOM 828 O SER A 55 -10.974 1.996 2.885 1.00 0.00 O ATOM 829 CB SER A 55 -13.631 1.822 4.466 1.00 0.00 C ATOM 830 OG SER A 55 -14.215 2.686 3.505 1.00 0.00 O ATOM 0 H SER A 55 -11.321 0.690 5.272 1.00 0.00 H new ATOM 0 HA SER A 55 -13.478 -0.021 3.369 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.413 1.369 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.996 2.398 5.139 1.00 0.00 H new ATOM 0 HG SER A 55 -14.739 3.377 3.962 1.00 0.00 H new ATOM 836 N LYS A 56 -12.413 1.071 1.419 1.00 0.00 N ATOM 837 CA LYS A 56 -11.717 1.581 0.243 1.00 0.00 C ATOM 838 C LYS A 56 -11.622 3.102 0.271 1.00 0.00 C ATOM 839 O LYS A 56 -10.611 3.676 -0.134 1.00 0.00 O ATOM 840 CB LYS A 56 -12.423 1.139 -1.034 1.00 0.00 C ATOM 841 CG LYS A 56 -11.671 1.533 -2.291 1.00 0.00 C ATOM 842 CD LYS A 56 -11.750 0.446 -3.349 1.00 0.00 C ATOM 843 CE LYS A 56 -13.155 0.319 -3.913 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.328 1.117 -5.158 1.00 0.00 N ATOM 0 H LYS A 56 -13.243 0.517 1.210 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.708 1.169 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.550 0.057 -1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.421 1.577 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.084 2.460 -2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.627 1.729 -2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.052 0.670 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.443 -0.506 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.369 -0.729 -4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.877 0.650 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.300 1.003 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.149 2.121 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.657 0.785 -5.879 1.00 0.00 H new ATOM 858 N ASP A 57 -12.680 3.753 0.750 1.00 0.00 N ATOM 859 CA ASP A 57 -12.713 5.211 0.829 1.00 0.00 C ATOM 860 C ASP A 57 -11.418 5.751 1.426 1.00 0.00 C ATOM 861 O ASP A 57 -10.961 6.838 1.075 1.00 0.00 O ATOM 862 CB ASP A 57 -13.908 5.674 1.665 1.00 0.00 C ATOM 863 CG ASP A 57 -14.410 7.042 1.247 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.383 7.339 0.035 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.831 7.816 2.133 1.00 0.00 O ATOM 0 H ASP A 57 -13.525 3.294 1.089 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.817 5.602 -0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.716 4.949 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.624 5.700 2.717 1.00 0.00 H new ATOM 870 N ASN A 58 -10.829 4.974 2.326 1.00 0.00 N ATOM 871 CA ASN A 58 -9.580 5.360 2.970 1.00 0.00 C ATOM 872 C ASN A 58 -8.421 5.248 1.988 1.00 0.00 C ATOM 873 O ASN A 58 -7.628 6.178 1.835 1.00 0.00 O ATOM 874 CB ASN A 58 -9.319 4.481 4.194 1.00 0.00 C ATOM 875 CG ASN A 58 -10.463 4.520 5.188 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.067 3.493 5.498 1.00 0.00 O ATOM 877 ND2 ASN A 58 -10.767 5.708 5.695 1.00 0.00 N ATOM 0 H ASN A 58 -11.197 4.071 2.627 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.665 6.397 3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.156 3.453 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.403 4.809 4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.527 5.795 6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.240 6.534 5.410 1.00 0.00 H new ATOM 884 N ALA A 59 -8.334 4.102 1.319 1.00 0.00 N ATOM 885 CA ALA A 59 -7.282 3.859 0.341 1.00 0.00 C ATOM 886 C ALA A 59 -7.298 4.913 -0.756 1.00 0.00 C ATOM 887 O ALA A 59 -6.254 5.425 -1.147 1.00 0.00 O ATOM 888 CB ALA A 59 -7.441 2.472 -0.257 1.00 0.00 C ATOM 0 H ALA A 59 -8.983 3.325 1.438 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.320 3.921 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.651 2.298 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.375 1.725 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.411 2.396 -0.748 1.00 0.00 H new ATOM 894 N ASP A 60 -8.487 5.228 -1.259 1.00 0.00 N ATOM 895 CA ASP A 60 -8.628 6.221 -2.318 1.00 0.00 C ATOM 896 C ASP A 60 -8.093 7.577 -1.870 1.00 0.00 C ATOM 897 O ASP A 60 -7.296 8.203 -2.569 1.00 0.00 O ATOM 898 CB ASP A 60 -10.095 6.350 -2.732 1.00 0.00 C ATOM 899 CG ASP A 60 -10.602 5.117 -3.455 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.820 4.513 -4.216 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.781 4.758 -3.259 1.00 0.00 O ATOM 0 H ASP A 60 -9.365 4.811 -0.951 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.043 5.886 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.706 6.525 -1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.212 7.220 -3.378 1.00 0.00 H new ATOM 906 N THR A 61 -8.538 8.027 -0.699 1.00 0.00 N ATOM 907 CA THR A 61 -8.104 9.310 -0.159 1.00 0.00 C ATOM 908 C THR A 61 -6.592 9.329 0.044 1.00 0.00 C ATOM 909 O THR A 61 -5.943 10.356 -0.155 1.00 0.00 O ATOM 910 CB THR A 61 -8.814 9.595 1.165 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.171 9.195 1.103 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.783 11.056 1.558 1.00 0.00 C ATOM 0 H THR A 61 -9.198 7.522 -0.108 1.00 0.00 H new ATOM 0 HA THR A 61 -8.366 10.088 -0.877 1.00 0.00 H new ATOM 0 HB THR A 61 -8.268 9.022 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.248 8.256 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.304 11.189 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.748 11.383 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.274 11.650 0.788 1.00 0.00 H new ATOM 920 N LEU A 62 -6.036 8.185 0.424 1.00 0.00 N ATOM 921 CA LEU A 62 -4.599 8.058 0.644 1.00 0.00 C ATOM 922 C LEU A 62 -3.869 8.135 -0.669 1.00 0.00 C ATOM 923 O LEU A 62 -2.909 8.886 -0.834 1.00 0.00 O ATOM 924 CB LEU A 62 -4.280 6.694 1.244 1.00 0.00 C ATOM 925 CG LEU A 62 -3.064 6.660 2.165 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.893 7.378 1.518 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.399 7.285 3.511 1.00 0.00 C ATOM 0 H LEU A 62 -6.562 7.326 0.587 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.291 8.862 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.149 6.348 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.121 5.985 0.431 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.782 5.620 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.032 7.346 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.641 6.888 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.164 8.416 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.521 7.253 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.704 8.321 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.212 6.730 3.978 1.00 0.00 H new ATOM 939 N ALA A 63 -4.322 7.302 -1.590 1.00 0.00 N ATOM 940 CA ALA A 63 -3.713 7.215 -2.887 1.00 0.00 C ATOM 941 C ALA A 63 -3.652 8.582 -3.556 1.00 0.00 C ATOM 942 O ALA A 63 -2.575 9.077 -3.891 1.00 0.00 O ATOM 943 CB ALA A 63 -4.458 6.218 -3.764 1.00 0.00 C ATOM 0 H ALA A 63 -5.116 6.676 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.691 6.860 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.981 6.167 -4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.434 5.234 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.493 6.539 -3.881 1.00 0.00 H new ATOM 949 N ALA A 64 -4.821 9.199 -3.737 1.00 0.00 N ATOM 950 CA ALA A 64 -4.905 10.517 -4.351 1.00 0.00 C ATOM 951 C ALA A 64 -3.971 11.491 -3.646 1.00 0.00 C ATOM 952 O ALA A 64 -3.349 12.345 -4.279 1.00 0.00 O ATOM 953 CB ALA A 64 -6.335 11.031 -4.313 1.00 0.00 C ATOM 0 H ALA A 64 -5.721 8.803 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.596 10.433 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.380 12.017 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.983 10.345 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.669 11.101 -3.278 1.00 0.00 H new ATOM 959 N ARG A 65 -3.858 11.338 -2.331 1.00 0.00 N ATOM 960 CA ARG A 65 -2.983 12.183 -1.537 1.00 0.00 C ATOM 961 C ARG A 65 -1.532 11.927 -1.924 1.00 0.00 C ATOM 962 O ARG A 65 -0.727 12.854 -2.014 1.00 0.00 O ATOM 963 CB ARG A 65 -3.189 11.900 -0.049 1.00 0.00 C ATOM 964 CG ARG A 65 -2.925 13.095 0.847 1.00 0.00 C ATOM 965 CD ARG A 65 -3.389 12.828 2.269 1.00 0.00 C ATOM 966 NE ARG A 65 -4.173 13.939 2.806 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.656 13.973 4.045 1.00 0.00 C ATOM 968 NH1 ARG A 65 -4.437 12.965 4.879 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.360 15.021 4.453 1.00 0.00 N ATOM 0 H ARG A 65 -4.364 10.634 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.224 13.228 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.213 11.560 0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.533 11.083 0.249 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.860 13.325 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.440 13.970 0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.988 11.918 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.522 12.654 2.907 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.360 14.734 2.195 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.895 12.157 4.572 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.810 12.998 5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.531 15.800 3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.731 15.048 5.403 1.00 0.00 H new ATOM 983 N ALA A 66 -1.213 10.659 -2.168 1.00 0.00 N ATOM 984 CA ALA A 66 0.129 10.277 -2.569 1.00 0.00 C ATOM 985 C ALA A 66 0.454 10.899 -3.914 1.00 0.00 C ATOM 986 O ALA A 66 1.554 11.403 -4.127 1.00 0.00 O ATOM 987 CB ALA A 66 0.269 8.763 -2.615 1.00 0.00 C ATOM 0 H ALA A 66 -1.869 9.881 -2.094 1.00 0.00 H new ATOM 0 HA ALA A 66 0.841 10.648 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.283 8.500 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.066 8.349 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.442 8.354 -3.333 1.00 0.00 H new ATOM 993 N LYS A 67 -0.525 10.885 -4.813 1.00 0.00 N ATOM 994 CA LYS A 67 -0.351 11.473 -6.129 1.00 0.00 C ATOM 995 C LYS A 67 -0.077 12.964 -5.994 1.00 0.00 C ATOM 996 O LYS A 67 0.844 13.499 -6.609 1.00 0.00 O ATOM 997 CB LYS A 67 -1.591 11.237 -6.993 1.00 0.00 C ATOM 998 CG LYS A 67 -1.791 9.783 -7.386 1.00 0.00 C ATOM 999 CD LYS A 67 -3.191 9.541 -7.928 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.376 8.096 -8.363 1.00 0.00 C ATOM 1001 NZ LYS A 67 -3.005 7.892 -9.790 1.00 0.00 N ATOM 0 H LYS A 67 -1.444 10.473 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 67 0.499 10.997 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.472 11.583 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.514 11.842 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.054 9.504 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.619 9.144 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.927 9.789 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.375 10.203 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.767 7.447 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.415 7.802 -8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.146 6.894 -10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.603 8.492 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.007 8.148 -9.929 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.873 13.619 -5.157 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.708 15.043 -4.903 1.00 0.00 C ATOM 1017 C ASN A 68 0.570 15.281 -4.102 1.00 0.00 C ATOM 1018 O ASN A 68 1.166 16.355 -4.161 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.915 15.589 -4.140 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.080 17.085 -4.307 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.104 17.835 -4.286 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -3.320 17.529 -4.474 1.00 0.00 N ATOM 0 H ASN A 68 -1.640 13.185 -4.643 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.634 15.565 -5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.818 15.086 -4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.807 15.355 -3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.493 18.527 -4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.100 16.872 -4.485 1.00 0.00 H new ATOM 1029 N ALA A 69 0.977 14.256 -3.359 1.00 0.00 N ATOM 1030 CA ALA A 69 2.180 14.318 -2.540 1.00 0.00 C ATOM 1031 C ALA A 69 3.436 14.166 -3.391 1.00 0.00 C ATOM 1032 O ALA A 69 4.522 14.585 -2.993 1.00 0.00 O ATOM 1033 CB ALA A 69 2.135 13.231 -1.478 1.00 0.00 C ATOM 0 H ALA A 69 0.484 13.364 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 69 2.216 15.295 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.037 13.281 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.260 13.377 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.076 12.255 -1.959 1.00 0.00 H new ATOM 1039 N GLY A 70 3.281 13.550 -4.560 1.00 0.00 N ATOM 1040 CA GLY A 70 4.411 13.335 -5.443 1.00 0.00 C ATOM 1041 C GLY A 70 4.752 11.867 -5.555 1.00 0.00 C ATOM 1042 O GLY A 70 5.889 11.503 -5.861 1.00 0.00 O ATOM 0 H GLY A 70 2.391 13.196 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.183 13.734 -6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.276 13.884 -5.070 1.00 0.00 H new ATOM 1046 N PHE A 71 3.761 11.019 -5.293 1.00 0.00 N ATOM 1047 CA PHE A 71 3.941 9.579 -5.344 1.00 0.00 C ATOM 1048 C PHE A 71 2.820 8.948 -6.162 1.00 0.00 C ATOM 1049 O PHE A 71 1.696 9.442 -6.160 1.00 0.00 O ATOM 1050 CB PHE A 71 3.923 9.005 -3.926 1.00 0.00 C ATOM 1051 CG PHE A 71 4.457 9.949 -2.883 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.700 10.543 -3.040 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.710 10.252 -1.753 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.191 11.418 -2.088 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.197 11.128 -0.799 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.438 11.710 -0.967 1.00 0.00 C ATOM 0 H PHE A 71 2.817 11.313 -5.041 1.00 0.00 H new ATOM 0 HA PHE A 71 4.900 9.356 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.900 8.733 -3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.511 8.087 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.292 10.320 -3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.739 9.799 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.162 11.872 -2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.607 11.356 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.820 12.393 -0.223 1.00 0.00 H new ATOM 1066 N ASP A 72 3.118 7.858 -6.850 1.00 0.00 N ATOM 1067 CA ASP A 72 2.108 7.179 -7.654 1.00 0.00 C ATOM 1068 C ASP A 72 1.422 6.085 -6.845 1.00 0.00 C ATOM 1069 O ASP A 72 1.679 4.900 -7.051 1.00 0.00 O ATOM 1070 CB ASP A 72 2.745 6.582 -8.911 1.00 0.00 C ATOM 1071 CG ASP A 72 1.720 5.952 -9.833 1.00 0.00 C ATOM 1072 OD1 ASP A 72 1.308 4.803 -9.567 1.00 0.00 O ATOM 1073 OD2 ASP A 72 1.329 6.607 -10.823 1.00 0.00 O ATOM 0 H ASP A 72 4.041 7.425 -6.870 1.00 0.00 H new ATOM 0 HA ASP A 72 1.357 7.911 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.283 7.363 -9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.480 5.831 -8.621 1.00 0.00 H new ATOM 1078 N ALA A 73 0.546 6.485 -5.922 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.166 5.521 -5.088 1.00 0.00 C ATOM 1080 C ALA A 73 -1.418 4.989 -5.776 1.00 0.00 C ATOM 1081 O ALA A 73 -2.127 5.724 -6.463 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.540 6.151 -3.756 1.00 0.00 C ATOM 0 H ALA A 73 0.315 7.461 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 73 0.506 4.680 -4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.070 5.421 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.364 6.470 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.183 7.014 -3.929 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.685 3.707 -5.566 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.856 3.055 -6.136 1.00 0.00 C ATOM 1090 C ILE A 74 -3.553 2.219 -5.070 1.00 0.00 C ATOM 1091 O ILE A 74 -2.916 1.758 -4.127 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.483 2.153 -7.330 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.519 1.049 -6.888 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.869 2.984 -8.448 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -2.156 -0.323 -6.832 1.00 0.00 C ATOM 0 H ILE A 74 -1.100 3.093 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.526 3.836 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.391 1.683 -7.707 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.673 1.020 -7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.122 1.297 -5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.611 2.334 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.587 3.734 -8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.970 3.479 -8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.415 -1.055 -6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.984 -0.311 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.528 -0.592 -7.821 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.855 2.019 -5.219 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.609 1.231 -4.250 1.00 0.00 C ATOM 1109 C VAL A 75 -5.896 -0.165 -4.783 1.00 0.00 C ATOM 1110 O VAL A 75 -6.274 -0.335 -5.943 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.933 1.921 -3.864 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.770 1.023 -2.959 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.654 3.255 -3.185 1.00 0.00 C ATOM 0 H VAL A 75 -5.408 2.387 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.989 1.149 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.502 2.106 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.699 1.531 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.998 0.093 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.212 0.802 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.597 3.732 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.064 3.088 -2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.101 3.902 -3.866 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.710 -1.165 -3.927 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.947 -2.547 -4.309 1.00 0.00 C ATOM 1125 C ILE A 76 -6.700 -3.298 -3.215 1.00 0.00 C ATOM 1126 O ILE A 76 -6.377 -3.184 -2.029 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.621 -3.279 -4.605 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -4.893 -4.713 -5.063 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.724 -3.268 -3.376 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.636 -5.502 -5.359 1.00 0.00 C ATOM 0 H ILE A 76 -5.396 -1.041 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.554 -2.529 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.106 -2.755 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.464 -5.230 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.516 -4.688 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.793 -3.788 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.506 -2.238 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.230 -3.770 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.905 -6.509 -5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.075 -5.008 -6.152 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.022 -5.558 -4.460 1.00 0.00 H new