USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot 54:sc= 0.711 USER MOD Set 1.2: A 100 GLN : amide:sc= -1.81! C(o=-1.1!,f=-5.7!) USER MOD Set 2.1: A 36 SER OG : rot 176:sc= 0.835 USER MOD Set 2.2: A 91 ASN : amide:sc= 0.744 K(o=1.6,f=-0.23) USER MOD Set 3.1: A 33 MET CE :methyl -152:sc= -1.38 (180deg=-2.52!) USER MOD Set 3.2: A 37 THR OG1 : rot -163:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= 1.2 (180deg=0.697) USER MOD Single : A 23 MET CE :methyl 164:sc= -0.534 (180deg=-1.26) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0178 F(o=-1.2,f=-0.018) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 1.02 K(o=1,f=-3.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.16) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HE2:sc= -0.849! C(o=-0.85!,f=-4.3!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.452 K(o=0.45,f=-0.13) USER MOD Single : A 67 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.74) USER MOD Single : A 71 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= -0.0284 (180deg=-0.192) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.0485 (180deg=-0.324) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= -0.178 (180deg=-0.868) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 22:sc= 0.475 USER MOD Single : A 97 THR OG1 : rot -75:sc= 1.3 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 177:sc= 0 (180deg=-0.00619) USER MOD Single : A 102 GLN : amide:sc= 0.0788 X(o=0.079,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 163 N ALA A 12 13.537 4.045 -2.682 1.00 0.00 N ATOM 164 CA ALA A 12 12.400 3.198 -3.012 1.00 0.00 C ATOM 165 C ALA A 12 11.222 3.476 -2.089 1.00 0.00 C ATOM 166 O ALA A 12 10.069 3.448 -2.515 1.00 0.00 O ATOM 167 CB ALA A 12 12.799 1.731 -2.928 1.00 0.00 C ATOM 0 HA ALA A 12 12.091 3.426 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.941 1.106 -3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.608 1.533 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.133 1.502 -1.916 1.00 0.00 H new ATOM 173 N ILE A 13 11.526 3.765 -0.830 1.00 0.00 N ATOM 174 CA ILE A 13 10.499 3.960 0.185 1.00 0.00 C ATOM 175 C ILE A 13 9.648 5.188 -0.137 1.00 0.00 C ATOM 176 O ILE A 13 8.417 5.139 -0.073 1.00 0.00 O ATOM 177 CB ILE A 13 11.105 4.112 1.610 1.00 0.00 C ATOM 178 CG1 ILE A 13 11.762 2.805 2.082 1.00 0.00 C ATOM 179 CG2 ILE A 13 10.035 4.540 2.605 1.00 0.00 C ATOM 180 CD1 ILE A 13 13.103 2.509 1.439 1.00 0.00 C ATOM 0 H ILE A 13 12.481 3.870 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 13 9.874 3.067 0.175 1.00 0.00 H new ATOM 0 HB ILE A 13 11.874 4.883 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.893 2.849 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.084 1.977 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 13 10.479 4.641 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.614 5.497 2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.246 3.789 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.494 1.569 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.979 2.430 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 13 13.801 3.315 1.666 1.00 0.00 H new ATOM 192 N GLU A 14 10.310 6.273 -0.510 1.00 0.00 N ATOM 193 CA GLU A 14 9.627 7.523 -0.798 1.00 0.00 C ATOM 194 C GLU A 14 8.691 7.365 -1.994 1.00 0.00 C ATOM 195 O GLU A 14 7.570 7.868 -1.982 1.00 0.00 O ATOM 196 CB GLU A 14 10.662 8.630 -1.045 1.00 0.00 C ATOM 197 CG GLU A 14 10.068 10.008 -1.284 1.00 0.00 C ATOM 198 CD GLU A 14 10.147 10.434 -2.735 1.00 0.00 C ATOM 199 OE1 GLU A 14 11.231 10.873 -3.175 1.00 0.00 O ATOM 200 OE2 GLU A 14 9.127 10.332 -3.449 1.00 0.00 O ATOM 0 H GLU A 14 11.323 6.312 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 14 9.016 7.802 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.332 8.681 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.269 8.356 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.026 10.010 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.592 10.737 -0.666 1.00 0.00 H new ATOM 207 N LYS A 15 9.134 6.630 -3.009 1.00 0.00 N ATOM 208 CA LYS A 15 8.316 6.421 -4.197 1.00 0.00 C ATOM 209 C LYS A 15 7.193 5.425 -3.938 1.00 0.00 C ATOM 210 O LYS A 15 6.108 5.561 -4.495 1.00 0.00 O ATOM 211 CB LYS A 15 9.167 5.973 -5.387 1.00 0.00 C ATOM 212 CG LYS A 15 9.719 7.132 -6.204 1.00 0.00 C ATOM 213 CD LYS A 15 10.697 7.975 -5.404 1.00 0.00 C ATOM 214 CE LYS A 15 10.953 9.316 -6.070 1.00 0.00 C ATOM 215 NZ LYS A 15 9.757 10.200 -6.011 1.00 0.00 N ATOM 0 H LYS A 15 10.046 6.173 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 15 7.862 7.380 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.997 5.367 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.566 5.335 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.217 6.745 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.896 7.759 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.304 8.136 -4.400 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.638 7.436 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.794 9.809 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.236 9.157 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.058 11.195 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.132 9.993 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.244 10.031 -5.123 1.00 0.00 H new ATOM 229 N ALA A 16 7.442 4.434 -3.091 1.00 0.00 N ATOM 230 CA ALA A 16 6.398 3.491 -2.705 1.00 0.00 C ATOM 231 C ALA A 16 5.284 4.227 -1.969 1.00 0.00 C ATOM 232 O ALA A 16 4.092 3.987 -2.194 1.00 0.00 O ATOM 233 CB ALA A 16 6.972 2.380 -1.835 1.00 0.00 C ATOM 0 H ALA A 16 8.351 4.262 -2.661 1.00 0.00 H new ATOM 0 HA ALA A 16 5.985 3.035 -3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.177 1.687 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.743 1.845 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.407 2.812 -0.934 1.00 0.00 H new ATOM 239 N LEU A 17 5.690 5.147 -1.101 1.00 0.00 N ATOM 240 CA LEU A 17 4.756 5.998 -0.381 1.00 0.00 C ATOM 241 C LEU A 17 4.012 6.898 -1.363 1.00 0.00 C ATOM 242 O LEU A 17 2.811 7.138 -1.225 1.00 0.00 O ATOM 243 CB LEU A 17 5.511 6.851 0.639 1.00 0.00 C ATOM 244 CG LEU A 17 4.637 7.594 1.643 1.00 0.00 C ATOM 245 CD1 LEU A 17 3.942 6.604 2.559 1.00 0.00 C ATOM 246 CD2 LEU A 17 5.471 8.579 2.447 1.00 0.00 C ATOM 0 H LEU A 17 6.670 5.322 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 17 4.034 5.372 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.199 6.208 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.117 7.580 0.101 1.00 0.00 H new ATOM 0 HG LEU A 17 3.877 8.157 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.320 7.144 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.318 5.936 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.689 6.020 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.832 9.101 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.250 8.041 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.930 9.303 1.773 1.00 0.00 H new ATOM 258 N ASP A 18 4.746 7.377 -2.364 1.00 0.00 N ATOM 259 CA ASP A 18 4.195 8.238 -3.409 1.00 0.00 C ATOM 260 C ASP A 18 3.180 7.482 -4.263 1.00 0.00 C ATOM 261 O ASP A 18 2.244 8.078 -4.792 1.00 0.00 O ATOM 262 CB ASP A 18 5.334 8.780 -4.281 1.00 0.00 C ATOM 263 CG ASP A 18 4.851 9.646 -5.429 1.00 0.00 C ATOM 264 OD1 ASP A 18 4.476 10.815 -5.189 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.878 9.172 -6.586 1.00 0.00 O ATOM 0 H ASP A 18 5.741 7.179 -2.474 1.00 0.00 H new ATOM 0 HA ASP A 18 3.676 9.072 -2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.014 9.361 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.905 7.943 -4.682 1.00 0.00 H new ATOM 270 N PHE A 19 3.364 6.173 -4.398 1.00 0.00 N ATOM 271 CA PHE A 19 2.400 5.339 -5.111 1.00 0.00 C ATOM 272 C PHE A 19 1.061 5.327 -4.388 1.00 0.00 C ATOM 273 O PHE A 19 0.019 5.588 -4.989 1.00 0.00 O ATOM 274 CB PHE A 19 2.908 3.902 -5.262 1.00 0.00 C ATOM 275 CG PHE A 19 3.781 3.681 -6.464 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.263 3.815 -7.744 1.00 0.00 C ATOM 277 CD2 PHE A 19 5.109 3.321 -6.318 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.058 3.596 -8.853 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.909 3.104 -7.423 1.00 0.00 C ATOM 280 CZ PHE A 19 5.380 3.241 -8.691 1.00 0.00 C ATOM 0 H PHE A 19 4.168 5.667 -4.025 1.00 0.00 H new ATOM 0 HA PHE A 19 2.272 5.770 -6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.466 3.630 -4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.052 3.230 -5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.228 4.093 -7.875 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.525 3.208 -5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.644 3.703 -9.845 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.945 2.828 -7.295 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.003 3.070 -9.557 1.00 0.00 H new ATOM 290 N ILE A 20 1.094 5.022 -3.095 1.00 0.00 N ATOM 291 CA ILE A 20 -0.128 4.949 -2.299 1.00 0.00 C ATOM 292 C ILE A 20 -0.738 6.336 -2.111 1.00 0.00 C ATOM 293 O ILE A 20 -1.931 6.535 -2.335 1.00 0.00 O ATOM 294 CB ILE A 20 0.125 4.301 -0.920 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.763 2.917 -1.095 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.179 4.199 -0.130 1.00 0.00 C ATOM 297 CD1 ILE A 20 1.055 2.202 0.208 1.00 0.00 C ATOM 0 H ILE A 20 1.949 4.822 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.829 4.321 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 20 0.815 4.931 -0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.099 2.296 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.692 3.025 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.982 3.740 0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.594 5.196 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.892 3.588 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.505 1.232 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.744 2.800 0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.126 2.059 0.761 1.00 0.00 H new ATOM 309 N GLY A 21 0.087 7.299 -1.722 1.00 0.00 N ATOM 310 CA GLY A 21 -0.394 8.652 -1.531 1.00 0.00 C ATOM 311 C GLY A 21 -0.333 9.461 -2.812 1.00 0.00 C ATOM 312 O GLY A 21 -0.161 10.679 -2.779 1.00 0.00 O ATOM 0 H GLY A 21 1.081 7.167 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.421 8.624 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.202 9.144 -0.762 1.00 0.00 H new ATOM 316 N GLY A 22 -0.506 8.785 -3.943 1.00 0.00 N ATOM 317 CA GLY A 22 -0.394 9.437 -5.236 1.00 0.00 C ATOM 318 C GLY A 22 -1.691 10.077 -5.679 1.00 0.00 C ATOM 319 O GLY A 22 -1.955 10.196 -6.878 1.00 0.00 O ATOM 0 H GLY A 22 -0.723 7.789 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.385 10.198 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.081 8.706 -5.981 1.00 0.00 H new ATOM 323 N MET A 23 -2.498 10.490 -4.714 1.00 0.00 N ATOM 324 CA MET A 23 -3.759 11.155 -4.998 1.00 0.00 C ATOM 325 C MET A 23 -3.515 12.505 -5.664 1.00 0.00 C ATOM 326 O MET A 23 -4.282 12.918 -6.535 1.00 0.00 O ATOM 327 CB MET A 23 -4.574 11.340 -3.709 1.00 0.00 C ATOM 328 CG MET A 23 -3.847 12.110 -2.617 1.00 0.00 C ATOM 329 SD MET A 23 -4.867 12.385 -1.158 1.00 0.00 S ATOM 330 CE MET A 23 -3.739 13.324 -0.131 1.00 0.00 C ATOM 0 H MET A 23 -2.299 10.375 -3.720 1.00 0.00 H new ATOM 0 HA MET A 23 -4.328 10.527 -5.683 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.501 11.861 -3.950 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.851 10.359 -3.323 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.949 11.563 -2.329 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.521 13.072 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.295 13.810 0.670 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.994 12.654 0.299 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.240 14.081 -0.736 1.00 0.00 H new ATOM 340 N ASN A 24 -2.438 13.179 -5.238 1.00 0.00 N ATOM 341 CA ASN A 24 -2.048 14.503 -5.753 1.00 0.00 C ATOM 342 C ASN A 24 -3.039 15.588 -5.335 1.00 0.00 C ATOM 343 O ASN A 24 -2.644 16.677 -4.928 1.00 0.00 O ATOM 344 CB ASN A 24 -1.882 14.491 -7.280 1.00 0.00 C ATOM 345 CG ASN A 24 -0.757 13.579 -7.747 1.00 0.00 C ATOM 346 OD1 ASN A 24 0.269 13.422 -6.923 1.00 0.00 O flip ATOM 347 ND2 ASN A 24 -0.811 13.027 -8.847 1.00 0.00 N flip ATOM 0 H ASN A 24 -1.807 12.820 -4.521 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.081 14.739 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.817 14.170 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.688 15.506 -7.627 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.619 13.174 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.048 12.423 -9.153 1.00 0.00 H new ATOM 354 N THR A 25 -4.318 15.288 -5.449 1.00 0.00 N ATOM 355 CA THR A 25 -5.366 16.183 -5.000 1.00 0.00 C ATOM 356 C THR A 25 -5.849 15.719 -3.622 1.00 0.00 C ATOM 357 O THR A 25 -5.093 15.098 -2.880 1.00 0.00 O ATOM 358 CB THR A 25 -6.531 16.195 -6.011 1.00 0.00 C ATOM 359 OG1 THR A 25 -6.004 16.071 -7.337 1.00 0.00 O ATOM 360 CG2 THR A 25 -7.336 17.486 -5.912 1.00 0.00 C ATOM 0 H THR A 25 -4.660 14.417 -5.855 1.00 0.00 H new ATOM 0 HA THR A 25 -4.979 17.199 -4.927 1.00 0.00 H new ATOM 0 HB THR A 25 -7.192 15.359 -5.783 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.740 16.076 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.150 17.464 -6.637 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.748 17.582 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.687 18.336 -6.121 1.00 0.00 H new ATOM 368 N SER A 26 -7.096 16.001 -3.284 1.00 0.00 N ATOM 369 CA SER A 26 -7.637 15.622 -1.995 1.00 0.00 C ATOM 370 C SER A 26 -8.543 14.407 -2.146 1.00 0.00 C ATOM 371 O SER A 26 -9.704 14.529 -2.537 1.00 0.00 O ATOM 372 CB SER A 26 -8.412 16.789 -1.386 1.00 0.00 C ATOM 373 OG SER A 26 -7.624 17.968 -1.384 1.00 0.00 O ATOM 0 H SER A 26 -7.753 16.493 -3.889 1.00 0.00 H new ATOM 0 HA SER A 26 -6.814 15.365 -1.328 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.328 16.959 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.709 16.542 -0.367 1.00 0.00 H new ATOM 0 HG SER A 26 -8.138 18.704 -0.992 1.00 0.00 H new ATOM 430 N HIS A 31 -11.389 6.897 -5.140 1.00 0.00 N ATOM 431 CA HIS A 31 -10.503 7.568 -6.076 1.00 0.00 C ATOM 432 C HIS A 31 -10.132 6.653 -7.245 1.00 0.00 C ATOM 433 O HIS A 31 -10.688 5.564 -7.387 1.00 0.00 O ATOM 434 CB HIS A 31 -9.255 8.048 -5.349 1.00 0.00 C ATOM 435 CG HIS A 31 -9.162 9.539 -5.283 1.00 0.00 C ATOM 436 ND1 HIS A 31 -8.106 10.245 -5.805 1.00 0.00 N ATOM 437 CD2 HIS A 31 -10.021 10.460 -4.788 1.00 0.00 C ATOM 438 CE1 HIS A 31 -8.319 11.535 -5.648 1.00 0.00 C ATOM 439 NE2 HIS A 31 -9.478 11.698 -5.034 1.00 0.00 N ATOM 0 HA HIS A 31 -11.027 8.429 -6.490 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.251 7.643 -4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.372 7.655 -5.853 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -7.284 9.834 -6.246 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.959 10.259 -4.292 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.658 12.327 -5.967 1.00 0.00 H new ATOM 448 N SER A 32 -9.213 7.097 -8.094 1.00 0.00 N ATOM 449 CA SER A 32 -8.773 6.281 -9.222 1.00 0.00 C ATOM 450 C SER A 32 -7.400 5.659 -8.960 1.00 0.00 C ATOM 451 O SER A 32 -7.297 4.498 -8.551 1.00 0.00 O ATOM 452 CB SER A 32 -8.718 7.127 -10.494 1.00 0.00 C ATOM 453 OG SER A 32 -9.942 7.805 -10.713 1.00 0.00 O ATOM 0 H SER A 32 -8.761 8.009 -8.026 1.00 0.00 H new ATOM 0 HA SER A 32 -9.495 5.475 -9.350 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.907 7.851 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.495 6.489 -11.349 1.00 0.00 H new ATOM 0 HG SER A 32 -9.878 8.340 -11.532 1.00 0.00 H new ATOM 459 N MET A 33 -6.361 6.466 -9.159 1.00 0.00 N ATOM 460 CA MET A 33 -4.969 6.030 -9.044 1.00 0.00 C ATOM 461 C MET A 33 -4.689 5.455 -7.664 1.00 0.00 C ATOM 462 O MET A 33 -4.200 4.332 -7.520 1.00 0.00 O ATOM 463 CB MET A 33 -4.052 7.237 -9.304 1.00 0.00 C ATOM 464 CG MET A 33 -2.572 7.017 -9.000 1.00 0.00 C ATOM 465 SD MET A 33 -1.678 6.160 -10.313 1.00 0.00 S ATOM 466 CE MET A 33 -2.164 4.465 -10.029 1.00 0.00 C ATOM 0 H MET A 33 -6.461 7.450 -9.407 1.00 0.00 H new ATOM 0 HA MET A 33 -4.779 5.246 -9.777 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.151 7.527 -10.350 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.407 8.076 -8.706 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.100 7.983 -8.822 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.482 6.444 -8.077 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.377 3.797 -10.379 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.326 4.307 -8.963 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.086 4.255 -10.572 1.00 0.00 H new ATOM 476 N ASP A 34 -5.042 6.231 -6.663 1.00 0.00 N ATOM 477 CA ASP A 34 -4.720 5.924 -5.283 1.00 0.00 C ATOM 478 C ASP A 34 -5.727 4.967 -4.648 1.00 0.00 C ATOM 479 O ASP A 34 -5.609 4.629 -3.474 1.00 0.00 O ATOM 480 CB ASP A 34 -4.636 7.231 -4.490 1.00 0.00 C ATOM 481 CG ASP A 34 -5.807 8.159 -4.771 1.00 0.00 C ATOM 482 OD1 ASP A 34 -5.907 8.680 -5.916 1.00 0.00 O ATOM 483 OD2 ASP A 34 -6.637 8.369 -3.873 1.00 0.00 O ATOM 0 H ASP A 34 -5.564 7.099 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.757 5.413 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.604 7.004 -3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.705 7.742 -4.735 1.00 0.00 H new ATOM 488 N GLU A 35 -6.721 4.528 -5.410 1.00 0.00 N ATOM 489 CA GLU A 35 -7.668 3.552 -4.890 1.00 0.00 C ATOM 490 C GLU A 35 -7.385 2.153 -5.439 1.00 0.00 C ATOM 491 O GLU A 35 -6.802 1.313 -4.756 1.00 0.00 O ATOM 492 CB GLU A 35 -9.107 3.939 -5.207 1.00 0.00 C ATOM 493 CG GLU A 35 -10.118 3.135 -4.406 1.00 0.00 C ATOM 494 CD GLU A 35 -11.271 2.624 -5.240 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.135 1.543 -5.852 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.332 3.276 -5.255 1.00 0.00 O ATOM 0 H GLU A 35 -6.890 4.825 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.540 3.541 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.248 5.000 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.293 3.793 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.612 2.289 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.509 3.756 -3.600 1.00 0.00 H new ATOM 503 N SER A 36 -7.788 1.923 -6.687 1.00 0.00 N ATOM 504 CA SER A 36 -7.749 0.590 -7.285 1.00 0.00 C ATOM 505 C SER A 36 -6.317 0.069 -7.391 1.00 0.00 C ATOM 506 O SER A 36 -6.025 -1.063 -6.990 1.00 0.00 O ATOM 507 CB SER A 36 -8.417 0.610 -8.666 1.00 0.00 C ATOM 508 OG SER A 36 -8.563 -0.701 -9.184 1.00 0.00 O ATOM 0 H SER A 36 -8.148 2.648 -7.308 1.00 0.00 H new ATOM 0 HA SER A 36 -8.301 -0.088 -6.634 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.395 1.086 -8.593 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.821 1.211 -9.353 1.00 0.00 H new ATOM 0 HG SER A 36 -9.045 -0.664 -10.036 1.00 0.00 H new ATOM 514 N THR A 37 -5.419 0.896 -7.906 1.00 0.00 N ATOM 515 CA THR A 37 -4.045 0.479 -8.103 1.00 0.00 C ATOM 516 C THR A 37 -3.327 0.345 -6.760 1.00 0.00 C ATOM 517 O THR A 37 -2.440 -0.495 -6.599 1.00 0.00 O ATOM 518 CB THR A 37 -3.297 1.464 -9.015 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.107 1.759 -10.165 1.00 0.00 O ATOM 520 CG2 THR A 37 -1.964 0.885 -9.470 1.00 0.00 C ATOM 0 H THR A 37 -5.619 1.854 -8.193 1.00 0.00 H new ATOM 0 HA THR A 37 -4.055 -0.496 -8.591 1.00 0.00 H new ATOM 0 HB THR A 37 -3.101 2.376 -8.450 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.549 2.157 -10.865 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.456 1.603 -10.114 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.342 0.675 -8.600 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.138 -0.038 -10.023 1.00 0.00 H new ATOM 528 N ALA A 38 -3.737 1.157 -5.792 1.00 0.00 N ATOM 529 CA ALA A 38 -3.184 1.072 -4.450 1.00 0.00 C ATOM 530 C ALA A 38 -3.594 -0.238 -3.784 1.00 0.00 C ATOM 531 O ALA A 38 -2.805 -0.849 -3.066 1.00 0.00 O ATOM 532 CB ALA A 38 -3.628 2.252 -3.606 1.00 0.00 C ATOM 0 H ALA A 38 -4.448 1.878 -5.913 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.097 1.098 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.201 2.166 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.286 3.178 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.716 2.261 -3.537 1.00 0.00 H new ATOM 538 N LYS A 39 -4.835 -0.662 -4.032 1.00 0.00 N ATOM 539 CA LYS A 39 -5.325 -1.955 -3.556 1.00 0.00 C ATOM 540 C LYS A 39 -4.424 -3.080 -4.053 1.00 0.00 C ATOM 541 O LYS A 39 -4.062 -3.984 -3.296 1.00 0.00 O ATOM 542 CB LYS A 39 -6.759 -2.199 -4.043 1.00 0.00 C ATOM 543 CG LYS A 39 -7.815 -1.353 -3.345 1.00 0.00 C ATOM 544 CD LYS A 39 -9.147 -1.406 -4.081 1.00 0.00 C ATOM 545 CE LYS A 39 -10.259 -0.736 -3.285 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.461 -0.469 -4.125 1.00 0.00 N ATOM 0 H LYS A 39 -5.521 -0.125 -4.562 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.315 -1.941 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.804 -2.003 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.003 -3.252 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.949 -1.706 -2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.473 -0.320 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.047 -0.916 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.414 -2.445 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.537 -1.372 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.892 0.202 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.161 0.063 -3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.185 0.088 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.876 -1.371 -4.433 1.00 0.00 H new ATOM 560 N GLY A 40 -4.065 -3.012 -5.330 1.00 0.00 N ATOM 561 CA GLY A 40 -3.188 -4.009 -5.912 1.00 0.00 C ATOM 562 C GLY A 40 -1.814 -4.008 -5.273 1.00 0.00 C ATOM 563 O GLY A 40 -1.273 -5.066 -4.957 1.00 0.00 O ATOM 0 H GLY A 40 -4.367 -2.281 -5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.638 -4.996 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.089 -3.823 -6.982 1.00 0.00 H new ATOM 567 N ILE A 41 -1.261 -2.818 -5.066 1.00 0.00 N ATOM 568 CA ILE A 41 0.055 -2.676 -4.455 1.00 0.00 C ATOM 569 C ILE A 41 0.033 -3.145 -2.997 1.00 0.00 C ATOM 570 O ILE A 41 0.914 -3.881 -2.558 1.00 0.00 O ATOM 571 CB ILE A 41 0.553 -1.210 -4.531 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.733 -0.788 -5.994 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.855 -1.039 -3.759 1.00 0.00 C ATOM 574 CD1 ILE A 41 1.209 0.640 -6.172 1.00 0.00 C ATOM 0 H ILE A 41 -1.706 -1.934 -5.314 1.00 0.00 H new ATOM 0 HA ILE A 41 0.746 -3.305 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.197 -0.566 -4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.448 -1.460 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.216 -0.911 -6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.185 -0.002 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.695 -1.301 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.618 -1.691 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.311 0.860 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.485 1.323 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.174 0.766 -5.681 1.00 0.00 H new ATOM 586 N LEU A 42 -0.995 -2.733 -2.264 1.00 0.00 N ATOM 587 CA LEU A 42 -1.146 -3.104 -0.862 1.00 0.00 C ATOM 588 C LEU A 42 -1.275 -4.621 -0.715 1.00 0.00 C ATOM 589 O LEU A 42 -0.751 -5.214 0.238 1.00 0.00 O ATOM 590 CB LEU A 42 -2.373 -2.405 -0.268 1.00 0.00 C ATOM 591 CG LEU A 42 -2.585 -2.606 1.231 1.00 0.00 C ATOM 592 CD1 LEU A 42 -1.396 -2.075 2.017 1.00 0.00 C ATOM 593 CD2 LEU A 42 -3.869 -1.922 1.678 1.00 0.00 C ATOM 0 H LEU A 42 -1.742 -2.137 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.257 -2.784 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.291 -1.336 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.260 -2.759 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.673 -3.674 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.567 -2.228 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.493 -2.606 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.275 -1.010 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.008 -2.073 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.805 -0.854 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.715 -2.348 1.139 1.00 0.00 H new ATOM 605 N LYS A 43 -1.976 -5.240 -1.661 1.00 0.00 N ATOM 606 CA LYS A 43 -2.105 -6.690 -1.698 1.00 0.00 C ATOM 607 C LYS A 43 -0.749 -7.327 -1.986 1.00 0.00 C ATOM 608 O LYS A 43 -0.315 -8.230 -1.273 1.00 0.00 O ATOM 609 CB LYS A 43 -3.115 -7.119 -2.771 1.00 0.00 C ATOM 610 CG LYS A 43 -3.353 -8.623 -2.824 1.00 0.00 C ATOM 611 CD LYS A 43 -4.129 -9.033 -4.073 1.00 0.00 C ATOM 612 CE LYS A 43 -5.526 -8.429 -4.108 1.00 0.00 C ATOM 613 NZ LYS A 43 -6.272 -8.836 -5.330 1.00 0.00 N ATOM 0 H LYS A 43 -2.465 -4.756 -2.414 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.465 -7.027 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.064 -6.617 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.761 -6.782 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.395 -9.143 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.903 -8.935 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.578 -8.720 -4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.204 -10.120 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.080 -8.742 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.453 -7.342 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.219 -8.405 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.756 -8.516 -6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.363 -9.872 -5.352 1.00 0.00 H new ATOM 627 N TYR A 44 -0.083 -6.822 -3.020 1.00 0.00 N ATOM 628 CA TYR A 44 1.210 -7.345 -3.452 1.00 0.00 C ATOM 629 C TYR A 44 2.243 -7.294 -2.324 1.00 0.00 C ATOM 630 O TYR A 44 2.974 -8.259 -2.101 1.00 0.00 O ATOM 631 CB TYR A 44 1.711 -6.558 -4.670 1.00 0.00 C ATOM 632 CG TYR A 44 3.063 -7.010 -5.184 1.00 0.00 C ATOM 633 CD1 TYR A 44 3.225 -8.261 -5.773 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.177 -6.184 -5.082 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.460 -8.676 -6.237 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.414 -6.594 -5.543 1.00 0.00 C ATOM 637 CZ TYR A 44 5.548 -7.837 -6.121 1.00 0.00 C ATOM 638 OH TYR A 44 6.777 -8.248 -6.578 1.00 0.00 O ATOM 0 H TYR A 44 -0.423 -6.041 -3.581 1.00 0.00 H new ATOM 0 HA TYR A 44 1.076 -8.391 -3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.980 -6.648 -5.473 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.768 -5.501 -4.408 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.373 -8.918 -5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.074 -5.206 -4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.572 -9.651 -6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.271 -5.943 -5.450 1.00 0.00 H new ATOM 0 HH TYR A 44 6.701 -8.526 -7.515 1.00 0.00 H new ATOM 648 N LEU A 45 2.297 -6.173 -1.614 1.00 0.00 N ATOM 649 CA LEU A 45 3.242 -6.011 -0.515 1.00 0.00 C ATOM 650 C LEU A 45 3.001 -7.062 0.565 1.00 0.00 C ATOM 651 O LEU A 45 3.937 -7.722 1.018 1.00 0.00 O ATOM 652 CB LEU A 45 3.135 -4.607 0.078 1.00 0.00 C ATOM 653 CG LEU A 45 3.507 -3.471 -0.877 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.328 -2.124 -0.202 1.00 0.00 C ATOM 655 CD2 LEU A 45 4.939 -3.635 -1.370 1.00 0.00 C ATOM 0 H LEU A 45 1.699 -5.364 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 45 4.249 -6.148 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.113 -4.452 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.779 -4.549 0.955 1.00 0.00 H new ATOM 0 HG LEU A 45 2.839 -3.514 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.598 -1.330 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.288 -2.004 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.970 -2.070 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.186 -2.818 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.621 -3.619 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.036 -4.585 -1.896 1.00 0.00 H new ATOM 667 N HIS A 46 1.737 -7.225 0.961 1.00 0.00 N ATOM 668 CA HIS A 46 1.371 -8.236 1.954 1.00 0.00 C ATOM 669 C HIS A 46 1.693 -9.637 1.443 1.00 0.00 C ATOM 670 O HIS A 46 2.122 -10.502 2.206 1.00 0.00 O ATOM 671 CB HIS A 46 -0.118 -8.148 2.302 1.00 0.00 C ATOM 672 CG HIS A 46 -0.454 -7.083 3.302 1.00 0.00 C ATOM 673 ND1 HIS A 46 -0.915 -5.830 2.950 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.418 -7.100 4.655 1.00 0.00 C ATOM 675 CE1 HIS A 46 -1.146 -5.127 4.047 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.850 -5.875 5.090 1.00 0.00 N ATOM 0 H HIS A 46 0.954 -6.673 0.611 1.00 0.00 H new ATOM 0 HA HIS A 46 1.955 -8.041 2.853 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.683 -7.964 1.388 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.446 -9.112 2.691 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -1.055 -5.499 1.996 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.106 -7.926 5.277 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.515 -4.112 4.081 1.00 0.00 H new ATOM 685 N ASP A 47 1.494 -9.840 0.145 1.00 0.00 N ATOM 686 CA ASP A 47 1.698 -11.144 -0.481 1.00 0.00 C ATOM 687 C ASP A 47 3.176 -11.527 -0.485 1.00 0.00 C ATOM 688 O ASP A 47 3.523 -12.706 -0.372 1.00 0.00 O ATOM 689 CB ASP A 47 1.158 -11.123 -1.912 1.00 0.00 C ATOM 690 CG ASP A 47 0.986 -12.510 -2.498 1.00 0.00 C ATOM 691 OD1 ASP A 47 -0.099 -13.105 -2.305 1.00 0.00 O ATOM 692 OD2 ASP A 47 1.917 -13.009 -3.163 1.00 0.00 O ATOM 0 H ASP A 47 1.189 -9.111 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 47 1.156 -11.891 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.198 -10.607 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.837 -10.549 -2.543 1.00 0.00 H new ATOM 697 N LEU A 48 4.044 -10.523 -0.602 1.00 0.00 N ATOM 698 CA LEU A 48 5.489 -10.744 -0.566 1.00 0.00 C ATOM 699 C LEU A 48 5.945 -11.198 0.817 1.00 0.00 C ATOM 700 O LEU A 48 7.053 -11.716 0.978 1.00 0.00 O ATOM 701 CB LEU A 48 6.247 -9.470 -0.946 1.00 0.00 C ATOM 702 CG LEU A 48 6.083 -9.008 -2.392 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.879 -7.735 -2.628 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.517 -10.103 -3.355 1.00 0.00 C ATOM 0 H LEU A 48 3.771 -9.548 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 48 5.711 -11.528 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.921 -8.665 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.308 -9.629 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 48 5.030 -8.796 -2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.755 -7.415 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.520 -6.952 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.934 -7.924 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.393 -9.756 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.564 -10.348 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.905 -10.991 -3.196 1.00 0.00 H new ATOM 716 N GLY A 49 5.094 -10.994 1.811 1.00 0.00 N ATOM 717 CA GLY A 49 5.436 -11.361 3.168 1.00 0.00 C ATOM 718 C GLY A 49 5.720 -10.152 4.030 1.00 0.00 C ATOM 719 O GLY A 49 6.055 -10.284 5.207 1.00 0.00 O ATOM 0 H GLY A 49 4.169 -10.579 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.618 -11.933 3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.310 -12.012 3.158 1.00 0.00 H new ATOM 723 N VAL A 50 5.588 -8.971 3.442 1.00 0.00 N ATOM 724 CA VAL A 50 5.788 -7.729 4.171 1.00 0.00 C ATOM 725 C VAL A 50 4.439 -7.072 4.449 1.00 0.00 C ATOM 726 O VAL A 50 3.861 -6.415 3.582 1.00 0.00 O ATOM 727 CB VAL A 50 6.695 -6.747 3.396 1.00 0.00 C ATOM 728 CG1 VAL A 50 6.964 -5.496 4.221 1.00 0.00 C ATOM 729 CG2 VAL A 50 7.999 -7.422 2.994 1.00 0.00 C ATOM 0 H VAL A 50 5.343 -8.848 2.460 1.00 0.00 H new ATOM 0 HA VAL A 50 6.285 -7.971 5.110 1.00 0.00 H new ATOM 0 HB VAL A 50 6.174 -6.447 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.604 -4.819 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.020 -4.999 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.460 -5.773 5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.623 -6.713 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.526 -7.757 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.783 -8.280 2.357 1.00 0.00 H new ATOM 739 N PRO A 51 3.900 -7.268 5.654 1.00 0.00 N ATOM 740 CA PRO A 51 2.587 -6.766 6.004 1.00 0.00 C ATOM 741 C PRO A 51 2.612 -5.309 6.465 1.00 0.00 C ATOM 742 O PRO A 51 3.063 -4.992 7.567 1.00 0.00 O ATOM 743 CB PRO A 51 2.156 -7.703 7.127 1.00 0.00 C ATOM 744 CG PRO A 51 3.426 -8.103 7.803 1.00 0.00 C ATOM 745 CD PRO A 51 4.528 -7.992 6.774 1.00 0.00 C ATOM 0 HA PRO A 51 1.904 -6.758 5.154 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.480 -7.203 7.821 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.626 -8.572 6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.629 -7.456 8.657 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.356 -9.122 8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.388 -7.450 7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.885 -8.974 6.464 1.00 0.00 H new ATOM 753 N VAL A 52 2.160 -4.426 5.589 1.00 0.00 N ATOM 754 CA VAL A 52 2.017 -3.020 5.928 1.00 0.00 C ATOM 755 C VAL A 52 0.838 -2.837 6.877 1.00 0.00 C ATOM 756 O VAL A 52 -0.319 -2.870 6.457 1.00 0.00 O ATOM 757 CB VAL A 52 1.806 -2.148 4.669 1.00 0.00 C ATOM 758 CG1 VAL A 52 1.780 -0.669 5.031 1.00 0.00 C ATOM 759 CG2 VAL A 52 2.886 -2.429 3.635 1.00 0.00 C ATOM 0 H VAL A 52 1.885 -4.660 4.635 1.00 0.00 H new ATOM 0 HA VAL A 52 2.939 -2.698 6.411 1.00 0.00 H new ATOM 0 HB VAL A 52 0.840 -2.407 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.630 -0.076 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.965 -0.480 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.726 -0.391 5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.720 -1.805 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.864 -2.204 4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.849 -3.479 3.347 1.00 0.00 H new ATOM 769 N SER A 53 1.145 -2.691 8.159 1.00 0.00 N ATOM 770 CA SER A 53 0.129 -2.559 9.188 1.00 0.00 C ATOM 771 C SER A 53 -0.658 -1.258 9.029 1.00 0.00 C ATOM 772 O SER A 53 -0.087 -0.210 8.715 1.00 0.00 O ATOM 773 CB SER A 53 0.790 -2.608 10.564 1.00 0.00 C ATOM 774 OG SER A 53 1.643 -3.732 10.670 1.00 0.00 O ATOM 0 H SER A 53 2.102 -2.661 8.511 1.00 0.00 H new ATOM 0 HA SER A 53 -0.573 -3.387 9.088 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.361 -1.695 10.731 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.025 -2.652 11.339 1.00 0.00 H new ATOM 0 HG SER A 53 2.058 -3.745 11.558 1.00 0.00 H new ATOM 780 N PRO A 54 -1.981 -1.317 9.259 1.00 0.00 N ATOM 781 CA PRO A 54 -2.870 -0.154 9.149 1.00 0.00 C ATOM 782 C PRO A 54 -2.421 1.009 10.027 1.00 0.00 C ATOM 783 O PRO A 54 -2.562 2.165 9.646 1.00 0.00 O ATOM 784 CB PRO A 54 -4.224 -0.688 9.627 1.00 0.00 C ATOM 785 CG PRO A 54 -4.150 -2.156 9.401 1.00 0.00 C ATOM 786 CD PRO A 54 -2.717 -2.535 9.631 1.00 0.00 C ATOM 0 HA PRO A 54 -2.887 0.244 8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.392 -0.457 10.679 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.046 -0.242 9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.810 -2.690 10.084 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.464 -2.412 8.389 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.536 -2.813 10.669 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.423 -3.386 9.017 1.00 0.00 H new ATOM 794 N GLU A 55 -1.865 0.686 11.193 1.00 0.00 N ATOM 795 CA GLU A 55 -1.375 1.699 12.128 1.00 0.00 C ATOM 796 C GLU A 55 -0.379 2.626 11.448 1.00 0.00 C ATOM 797 O GLU A 55 -0.488 3.851 11.534 1.00 0.00 O ATOM 798 CB GLU A 55 -0.707 1.029 13.327 1.00 0.00 C ATOM 799 CG GLU A 55 -0.252 2.009 14.394 1.00 0.00 C ATOM 800 CD GLU A 55 0.393 1.322 15.577 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.343 0.799 16.439 1.00 0.00 O ATOM 802 OE2 GLU A 55 1.636 1.305 15.658 1.00 0.00 O ATOM 0 H GLU A 55 -1.742 -0.274 11.515 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.228 2.287 12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.404 0.319 13.771 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.153 0.457 12.980 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.456 2.713 13.957 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.108 2.589 14.738 1.00 0.00 H new ATOM 809 N VAL A 56 0.582 2.027 10.758 1.00 0.00 N ATOM 810 CA VAL A 56 1.613 2.780 10.063 1.00 0.00 C ATOM 811 C VAL A 56 0.990 3.648 8.973 1.00 0.00 C ATOM 812 O VAL A 56 1.398 4.791 8.763 1.00 0.00 O ATOM 813 CB VAL A 56 2.665 1.838 9.435 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.837 2.632 8.879 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.147 0.813 10.452 1.00 0.00 C ATOM 0 H VAL A 56 0.668 1.015 10.665 1.00 0.00 H new ATOM 0 HA VAL A 56 2.110 3.417 10.795 1.00 0.00 H new ATOM 0 HB VAL A 56 2.192 1.305 8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.565 1.948 8.442 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.480 3.320 8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.308 3.198 9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.887 0.160 9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.598 1.327 11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.302 0.217 10.796 1.00 0.00 H new ATOM 825 N VAL A 57 -0.018 3.097 8.305 1.00 0.00 N ATOM 826 CA VAL A 57 -0.740 3.816 7.263 1.00 0.00 C ATOM 827 C VAL A 57 -1.485 5.015 7.847 1.00 0.00 C ATOM 828 O VAL A 57 -1.432 6.111 7.298 1.00 0.00 O ATOM 829 CB VAL A 57 -1.745 2.897 6.534 1.00 0.00 C ATOM 830 CG1 VAL A 57 -2.467 3.654 5.433 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.042 1.674 5.966 1.00 0.00 C ATOM 0 H VAL A 57 -0.355 2.148 8.469 1.00 0.00 H new ATOM 0 HA VAL A 57 0.000 4.165 6.543 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.485 2.561 7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.170 2.987 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.010 4.495 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.741 4.024 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.768 1.041 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.277 1.991 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.576 1.113 6.776 1.00 0.00 H new ATOM 841 N VAL A 58 -2.166 4.798 8.967 1.00 0.00 N ATOM 842 CA VAL A 58 -2.921 5.857 9.624 1.00 0.00 C ATOM 843 C VAL A 58 -1.998 6.983 10.079 1.00 0.00 C ATOM 844 O VAL A 58 -2.252 8.154 9.802 1.00 0.00 O ATOM 845 CB VAL A 58 -3.721 5.319 10.835 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.429 6.451 11.569 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.731 4.272 10.390 1.00 0.00 C ATOM 0 H VAL A 58 -2.210 3.895 9.439 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.627 6.248 8.891 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.013 4.854 11.521 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.983 6.045 12.415 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.692 7.169 11.929 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.119 6.950 10.889 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.282 3.907 11.256 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.426 4.717 9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.209 3.441 9.916 1.00 0.00 H new ATOM 857 N ALA A 59 -0.915 6.622 10.760 1.00 0.00 N ATOM 858 CA ALA A 59 0.042 7.610 11.247 1.00 0.00 C ATOM 859 C ALA A 59 0.635 8.411 10.092 1.00 0.00 C ATOM 860 O ALA A 59 0.749 9.637 10.159 1.00 0.00 O ATOM 861 CB ALA A 59 1.142 6.928 12.046 1.00 0.00 C ATOM 0 H ALA A 59 -0.678 5.656 10.987 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.485 8.304 11.901 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.849 7.676 12.404 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.704 6.407 12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.662 6.211 11.411 1.00 0.00 H new ATOM 867 N ARG A 60 0.992 7.714 9.023 1.00 0.00 N ATOM 868 CA ARG A 60 1.536 8.363 7.839 1.00 0.00 C ATOM 869 C ARG A 60 0.471 9.226 7.167 1.00 0.00 C ATOM 870 O ARG A 60 0.754 10.336 6.715 1.00 0.00 O ATOM 871 CB ARG A 60 2.074 7.312 6.864 1.00 0.00 C ATOM 872 CG ARG A 60 2.647 7.893 5.581 1.00 0.00 C ATOM 873 CD ARG A 60 3.705 8.951 5.860 1.00 0.00 C ATOM 874 NE ARG A 60 4.807 8.446 6.680 1.00 0.00 N ATOM 875 CZ ARG A 60 6.020 8.998 6.714 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.273 10.095 6.006 1.00 0.00 N ATOM 877 NH2 ARG A 60 6.970 8.466 7.472 1.00 0.00 N ATOM 0 H ARG A 60 0.915 6.699 8.951 1.00 0.00 H new ATOM 0 HA ARG A 60 2.359 9.011 8.140 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.848 6.730 7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.270 6.621 6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.083 7.093 4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.843 8.331 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.101 9.321 4.914 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.241 9.799 6.364 1.00 0.00 H new ATOM 0 HE ARG A 60 4.637 7.624 7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.539 10.515 5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.201 10.516 6.033 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.772 7.635 8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.898 8.888 7.498 1.00 0.00 H new ATOM 891 N GLY A 61 -0.751 8.712 7.118 1.00 0.00 N ATOM 892 CA GLY A 61 -1.849 9.443 6.521 1.00 0.00 C ATOM 893 C GLY A 61 -2.136 10.741 7.242 1.00 0.00 C ATOM 894 O GLY A 61 -2.402 11.763 6.608 1.00 0.00 O ATOM 0 H GLY A 61 -1.001 7.794 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.617 9.654 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.744 8.820 6.529 1.00 0.00 H new ATOM 898 N GLU A 62 -2.077 10.702 8.569 1.00 0.00 N ATOM 899 CA GLU A 62 -2.312 11.892 9.380 1.00 0.00 C ATOM 900 C GLU A 62 -1.193 12.914 9.198 1.00 0.00 C ATOM 901 O GLU A 62 -1.425 14.117 9.286 1.00 0.00 O ATOM 902 CB GLU A 62 -2.450 11.526 10.862 1.00 0.00 C ATOM 903 CG GLU A 62 -3.633 10.616 11.159 1.00 0.00 C ATOM 904 CD GLU A 62 -3.911 10.480 12.643 1.00 0.00 C ATOM 905 OE1 GLU A 62 -4.548 11.388 13.218 1.00 0.00 O ATOM 906 OE2 GLU A 62 -3.514 9.460 13.245 1.00 0.00 O ATOM 0 H GLU A 62 -1.869 9.860 9.106 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.246 12.339 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.534 11.037 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.551 12.441 11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.521 11.008 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.441 9.629 10.738 1.00 0.00 H new ATOM 913 N GLN A 63 0.020 12.437 8.938 1.00 0.00 N ATOM 914 CA GLN A 63 1.154 13.332 8.744 1.00 0.00 C ATOM 915 C GLN A 63 1.111 13.989 7.369 1.00 0.00 C ATOM 916 O GLN A 63 1.170 15.213 7.252 1.00 0.00 O ATOM 917 CB GLN A 63 2.483 12.594 8.914 1.00 0.00 C ATOM 918 CG GLN A 63 3.685 13.510 8.743 1.00 0.00 C ATOM 919 CD GLN A 63 5.007 12.780 8.791 1.00 0.00 C ATOM 920 OE1 GLN A 63 5.606 12.615 9.853 1.00 0.00 O ATOM 921 NE2 GLN A 63 5.482 12.349 7.638 1.00 0.00 N ATOM 0 H GLN A 63 0.242 11.445 8.857 1.00 0.00 H new ATOM 0 HA GLN A 63 1.081 14.106 9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.517 12.137 9.903 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.541 11.785 8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.601 14.033 7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.669 14.269 9.525 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.955 12.505 6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.376 11.859 7.606 1.00 0.00 H new ATOM 930 N GLU A 64 1.003 13.171 6.332 1.00 0.00 N ATOM 931 CA GLU A 64 1.031 13.676 4.964 1.00 0.00 C ATOM 932 C GLU A 64 -0.235 14.463 4.654 1.00 0.00 C ATOM 933 O GLU A 64 -0.220 15.391 3.849 1.00 0.00 O ATOM 934 CB GLU A 64 1.170 12.531 3.962 1.00 0.00 C ATOM 935 CG GLU A 64 2.357 11.615 4.206 1.00 0.00 C ATOM 936 CD GLU A 64 3.687 12.337 4.173 1.00 0.00 C ATOM 937 OE1 GLU A 64 3.966 13.037 3.180 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.463 12.196 5.140 1.00 0.00 O ATOM 0 H GLU A 64 0.896 12.160 6.409 1.00 0.00 H new ATOM 0 HA GLU A 64 1.895 14.334 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.258 11.935 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.253 12.951 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.239 11.129 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.360 10.827 3.453 1.00 0.00 H new ATOM 945 N GLY A 65 -1.329 14.086 5.299 1.00 0.00 N ATOM 946 CA GLY A 65 -2.594 14.749 5.063 1.00 0.00 C ATOM 947 C GLY A 65 -3.424 14.021 4.030 1.00 0.00 C ATOM 948 O GLY A 65 -3.946 14.630 3.096 1.00 0.00 O ATOM 0 H GLY A 65 -1.363 13.331 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.151 14.813 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.412 15.771 4.729 1.00 0.00 H new ATOM 952 N TRP A 66 -3.552 12.712 4.206 1.00 0.00 N ATOM 953 CA TRP A 66 -4.283 11.875 3.263 1.00 0.00 C ATOM 954 C TRP A 66 -5.789 11.943 3.505 1.00 0.00 C ATOM 955 O TRP A 66 -6.556 11.281 2.810 1.00 0.00 O ATOM 956 CB TRP A 66 -3.832 10.417 3.368 1.00 0.00 C ATOM 957 CG TRP A 66 -2.425 10.157 2.913 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.541 11.052 2.382 1.00 0.00 C ATOM 959 CD2 TRP A 66 -1.745 8.898 2.948 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.354 10.423 2.087 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.454 9.103 2.429 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.104 7.616 3.373 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.477 8.073 2.321 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -1.180 6.597 3.266 1.00 0.00 C ATOM 965 CH2 TRP A 66 0.098 6.831 2.746 1.00 0.00 C ATOM 0 H TRP A 66 -3.157 12.205 4.998 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.066 12.257 2.265 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.928 10.096 4.405 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.509 9.799 2.779 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.744 12.100 2.218 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.468 10.869 1.679 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.087 7.426 3.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.463 8.249 1.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -1.448 5.602 3.589 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.800 6.013 2.679 1.00 0.00 H new ATOM 976 N ASN A 67 -6.197 12.734 4.502 1.00 0.00 N ATOM 977 CA ASN A 67 -7.607 12.876 4.878 1.00 0.00 C ATOM 978 C ASN A 67 -8.112 11.625 5.591 1.00 0.00 C ATOM 979 O ASN A 67 -7.696 10.506 5.282 1.00 0.00 O ATOM 980 CB ASN A 67 -8.488 13.186 3.659 1.00 0.00 C ATOM 981 CG ASN A 67 -8.213 14.556 3.077 1.00 0.00 C ATOM 982 OD1 ASN A 67 -7.912 15.511 3.800 1.00 0.00 O ATOM 983 ND2 ASN A 67 -8.303 14.659 1.762 1.00 0.00 N ATOM 0 H ASN A 67 -5.561 13.293 5.070 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.674 13.719 5.566 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.321 12.429 2.893 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.537 13.121 3.947 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.121 15.553 1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.555 13.844 1.203 1.00 0.00 H new ATOM 990 N PRO A 68 -9.012 11.802 6.572 1.00 0.00 N ATOM 991 CA PRO A 68 -9.559 10.694 7.365 1.00 0.00 C ATOM 992 C PRO A 68 -10.191 9.606 6.500 1.00 0.00 C ATOM 993 O PRO A 68 -10.002 8.418 6.751 1.00 0.00 O ATOM 994 CB PRO A 68 -10.628 11.360 8.244 1.00 0.00 C ATOM 995 CG PRO A 68 -10.858 12.706 7.642 1.00 0.00 C ATOM 996 CD PRO A 68 -9.563 13.098 6.999 1.00 0.00 C ATOM 0 HA PRO A 68 -8.777 10.189 7.932 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.547 10.774 8.257 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.290 11.445 9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.663 12.673 6.908 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.150 13.429 8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.717 13.771 6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.901 13.609 7.698 1.00 0.00 H new ATOM 1004 N GLU A 69 -10.922 10.024 5.468 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.647 9.096 4.606 1.00 0.00 C ATOM 1006 C GLU A 69 -10.696 8.154 3.864 1.00 0.00 C ATOM 1007 O GLU A 69 -10.813 6.936 3.984 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.522 9.868 3.615 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.595 10.703 4.290 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.525 11.376 3.301 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -15.317 10.666 2.650 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -14.488 12.622 3.194 1.00 0.00 O ATOM 0 H GLU A 69 -11.027 11.005 5.209 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.287 8.482 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.889 10.519 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.995 9.163 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.179 10.067 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.120 11.463 4.911 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.745 8.721 3.123 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.791 7.921 2.357 1.00 0.00 C ATOM 1021 C PHE A 70 -7.974 7.025 3.284 1.00 0.00 C ATOM 1022 O PHE A 70 -7.830 5.826 3.038 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.867 8.831 1.538 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.781 8.103 0.792 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -7.064 7.418 -0.377 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.475 8.111 1.260 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -6.067 6.754 -1.065 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.474 7.451 0.574 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.770 6.772 -0.589 1.00 0.00 C ATOM 0 H PHE A 70 -9.615 9.729 3.037 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.349 7.285 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.469 9.392 0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.407 9.558 2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.075 7.402 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.238 8.640 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.301 6.221 -1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.461 7.467 0.948 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.989 6.255 -1.127 1.00 0.00 H new ATOM 1039 N THR A 71 -7.469 7.612 4.364 1.00 0.00 N ATOM 1040 CA THR A 71 -6.669 6.882 5.338 1.00 0.00 C ATOM 1041 C THR A 71 -7.459 5.711 5.929 1.00 0.00 C ATOM 1042 O THR A 71 -6.926 4.612 6.098 1.00 0.00 O ATOM 1043 CB THR A 71 -6.197 7.815 6.470 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.540 8.961 5.911 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.242 7.095 7.405 1.00 0.00 C ATOM 0 H THR A 71 -7.602 8.599 4.587 1.00 0.00 H new ATOM 0 HA THR A 71 -5.796 6.489 4.818 1.00 0.00 H new ATOM 0 HB THR A 71 -7.072 8.129 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.211 9.612 5.617 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.924 7.775 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.745 6.235 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.370 6.757 6.845 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.735 5.948 6.218 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.611 4.917 6.765 1.00 0.00 C ATOM 1055 C LYS A 72 -9.796 3.779 5.767 1.00 0.00 C ATOM 1056 O LYS A 72 -9.744 2.604 6.136 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.977 5.513 7.130 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.958 4.502 7.703 1.00 0.00 C ATOM 1059 CD LYS A 72 -13.304 5.143 7.992 1.00 0.00 C ATOM 1060 CE LYS A 72 -14.294 4.133 8.549 1.00 0.00 C ATOM 1061 NZ LYS A 72 -15.626 4.742 8.801 1.00 0.00 N ATOM 0 H LYS A 72 -9.188 6.852 6.081 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.143 4.520 7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.831 6.314 7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.415 5.965 6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.088 3.679 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.551 4.076 8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.175 5.958 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.704 5.580 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.400 3.305 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.904 3.717 9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.272 4.020 9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.529 5.516 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.011 5.117 7.910 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.003 4.135 4.503 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.210 3.152 3.455 1.00 0.00 C ATOM 1077 C LYS A 73 -8.980 2.267 3.291 1.00 0.00 C ATOM 1078 O LYS A 73 -9.082 1.043 3.343 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.540 3.839 2.135 1.00 0.00 C ATOM 1080 CG LYS A 73 -11.850 4.608 2.155 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.201 5.134 0.772 1.00 0.00 C ATOM 1082 CE LYS A 73 -13.466 5.978 0.787 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.632 5.240 1.342 1.00 0.00 N ATOM 0 H LYS A 73 -10.031 5.103 4.183 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.052 2.523 3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.731 4.524 1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.582 3.088 1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.650 3.960 2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.775 5.440 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.372 5.730 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.333 4.296 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.293 6.877 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.695 6.303 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.500 5.788 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.713 4.315 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.500 5.100 2.364 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.818 2.889 3.111 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.579 2.144 2.913 1.00 0.00 C ATOM 1099 C VAL A 74 -6.290 1.243 4.110 1.00 0.00 C ATOM 1100 O VAL A 74 -5.888 0.087 3.952 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.377 3.083 2.677 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.111 2.287 2.391 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.666 4.048 1.539 1.00 0.00 C ATOM 0 H VAL A 74 -7.709 3.903 3.098 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.717 1.531 2.023 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.217 3.660 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.279 2.972 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.888 1.641 3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.258 1.677 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.806 4.701 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.859 3.486 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.540 4.650 1.786 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.520 1.769 5.307 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.343 0.992 6.523 1.00 0.00 C ATOM 1115 C ALA A 75 -7.284 -0.206 6.529 1.00 0.00 C ATOM 1116 O ALA A 75 -6.895 -1.306 6.915 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.579 1.860 7.750 1.00 0.00 C ATOM 0 H ALA A 75 -6.829 2.729 5.459 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.317 0.626 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.442 1.262 8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.869 2.687 7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.595 2.254 7.727 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.518 0.017 6.080 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.497 -1.053 6.015 1.00 0.00 C ATOM 1125 C GLY A 76 -9.067 -2.173 5.091 1.00 0.00 C ATOM 1126 O GLY A 76 -9.226 -3.351 5.418 1.00 0.00 O ATOM 0 H GLY A 76 -8.857 0.924 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.661 -1.454 7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.450 -0.649 5.673 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.516 -1.807 3.935 1.00 0.00 N ATOM 1131 CA TRP A 77 -8.015 -2.795 2.984 1.00 0.00 C ATOM 1132 C TRP A 77 -6.886 -3.591 3.623 1.00 0.00 C ATOM 1133 O TRP A 77 -6.839 -4.818 3.533 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.492 -2.130 1.701 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.433 -1.136 1.087 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.794 -1.144 1.145 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.071 0.004 0.297 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.302 -0.062 0.467 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.264 0.655 -0.069 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -6.854 0.543 -0.127 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -9.277 1.815 -0.838 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -6.867 1.693 -0.894 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.070 2.320 -1.242 1.00 0.00 C ATOM 0 H TRP A 77 -8.406 -0.838 3.636 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.843 -3.452 2.719 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.550 -1.629 1.925 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.274 -2.906 0.967 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.387 -1.892 1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.291 0.170 0.377 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.920 0.070 0.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -10.205 2.299 -1.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.932 2.116 -1.231 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.045 3.219 -1.840 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.991 -2.868 4.288 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.832 -3.469 4.933 1.00 0.00 C ATOM 1156 C ALA A 78 -5.244 -4.460 6.016 1.00 0.00 C ATOM 1157 O ALA A 78 -4.670 -5.547 6.115 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.937 -2.392 5.521 1.00 0.00 C ATOM 0 H ALA A 78 -6.049 -1.855 4.394 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.277 -4.018 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.075 -2.857 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.597 -1.728 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.496 -1.817 6.259 1.00 0.00 H new ATOM 1164 N GLU A 79 -6.237 -4.079 6.821 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.735 -4.936 7.896 1.00 0.00 C ATOM 1166 C GLU A 79 -7.248 -6.258 7.345 1.00 0.00 C ATOM 1167 O GLU A 79 -6.900 -7.326 7.843 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.859 -4.248 8.676 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.428 -2.988 9.409 1.00 0.00 C ATOM 1170 CD GLU A 79 -8.542 -2.394 10.240 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -9.429 -1.731 9.667 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -8.545 -2.606 11.472 1.00 0.00 O ATOM 0 H GLU A 79 -6.713 -3.180 6.748 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.899 -5.126 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.664 -3.996 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.269 -4.953 9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.580 -3.219 10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.085 -2.249 8.685 1.00 0.00 H new ATOM 1179 N LYS A 80 -8.068 -6.179 6.302 1.00 0.00 N ATOM 1180 CA LYS A 80 -8.669 -7.367 5.709 1.00 0.00 C ATOM 1181 C LYS A 80 -7.599 -8.314 5.179 1.00 0.00 C ATOM 1182 O LYS A 80 -7.579 -9.496 5.531 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.627 -6.979 4.578 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.780 -6.098 5.026 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.751 -5.832 3.887 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.502 -7.090 3.480 1.00 0.00 C ATOM 1187 NZ LYS A 80 -13.344 -7.612 4.586 1.00 0.00 N ATOM 0 H LYS A 80 -8.331 -5.303 5.850 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.231 -7.880 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.066 -6.460 3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.029 -7.887 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.307 -6.578 5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.392 -5.152 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.464 -5.065 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.206 -5.440 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.130 -6.875 2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.789 -7.856 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.046 -8.277 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.743 -8.103 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.834 -6.822 5.052 1.00 0.00 H new ATOM 1201 N VAL A 81 -6.699 -7.780 4.357 1.00 0.00 N ATOM 1202 CA VAL A 81 -5.654 -8.583 3.726 1.00 0.00 C ATOM 1203 C VAL A 81 -4.743 -9.222 4.777 1.00 0.00 C ATOM 1204 O VAL A 81 -4.279 -10.351 4.610 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.801 -7.736 2.750 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -3.742 -8.593 2.074 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.684 -7.072 1.705 1.00 0.00 C ATOM 0 H VAL A 81 -6.672 -6.790 4.111 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.153 -9.370 3.160 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.300 -6.960 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.155 -7.976 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.086 -9.024 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.225 -9.394 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.066 -6.481 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.214 -7.837 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.406 -6.421 2.199 1.00 0.00 H new ATOM 1217 N ALA A 82 -4.498 -8.497 5.862 1.00 0.00 N ATOM 1218 CA ALA A 82 -3.654 -8.994 6.940 1.00 0.00 C ATOM 1219 C ALA A 82 -4.382 -10.048 7.767 1.00 0.00 C ATOM 1220 O ALA A 82 -3.803 -11.080 8.115 1.00 0.00 O ATOM 1221 CB ALA A 82 -3.197 -7.849 7.830 1.00 0.00 C ATOM 0 H ALA A 82 -4.873 -7.561 6.018 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.777 -9.461 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.568 -8.239 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.628 -7.132 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.067 -7.354 8.262 1.00 0.00 H new ATOM 1227 N SER A 83 -5.646 -9.784 8.075 1.00 0.00 N ATOM 1228 CA SER A 83 -6.462 -10.701 8.860 1.00 0.00 C ATOM 1229 C SER A 83 -6.615 -12.035 8.133 1.00 0.00 C ATOM 1230 O SER A 83 -6.400 -13.100 8.718 1.00 0.00 O ATOM 1231 CB SER A 83 -7.838 -10.078 9.132 1.00 0.00 C ATOM 1232 OG SER A 83 -8.648 -10.924 9.933 1.00 0.00 O ATOM 0 H SER A 83 -6.132 -8.934 7.790 1.00 0.00 H new ATOM 0 HA SER A 83 -5.965 -10.885 9.813 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.710 -9.117 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.342 -9.881 8.186 1.00 0.00 H new ATOM 0 HG SER A 83 -9.516 -10.496 10.088 1.00 0.00 H new ATOM 1238 N GLY A 84 -6.959 -11.974 6.856 1.00 0.00 N ATOM 1239 CA GLY A 84 -7.141 -13.187 6.088 1.00 0.00 C ATOM 1240 C GLY A 84 -8.326 -13.105 5.157 1.00 0.00 C ATOM 1241 O GLY A 84 -8.513 -13.971 4.300 1.00 0.00 O ATOM 0 H GLY A 84 -7.115 -11.109 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.240 -13.386 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.274 -14.028 6.768 1.00 0.00 H new ATOM 1245 N ASN A 85 -9.141 -12.072 5.324 1.00 0.00 N ATOM 1246 CA ASN A 85 -10.266 -11.865 4.430 1.00 0.00 C ATOM 1247 C ASN A 85 -9.811 -11.053 3.244 1.00 0.00 C ATOM 1248 O ASN A 85 -9.549 -9.857 3.356 1.00 0.00 O ATOM 1249 CB ASN A 85 -11.426 -11.147 5.108 1.00 0.00 C ATOM 1250 CG ASN A 85 -11.796 -11.742 6.454 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -11.661 -12.944 6.676 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -12.263 -10.903 7.363 1.00 0.00 N ATOM 0 H ASN A 85 -9.044 -11.374 6.061 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.623 -12.847 4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -11.166 -10.097 5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -12.297 -11.179 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.526 -11.246 8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.360 -9.912 7.140 1.00 0.00 H new ATOM 1259 N ARG A 86 -9.708 -11.717 2.123 1.00 0.00 N ATOM 1260 CA ARG A 86 -9.246 -11.105 0.892 1.00 0.00 C ATOM 1261 C ARG A 86 -10.117 -9.918 0.492 1.00 0.00 C ATOM 1262 O ARG A 86 -11.285 -9.820 0.879 1.00 0.00 O ATOM 1263 CB ARG A 86 -9.280 -12.150 -0.206 1.00 0.00 C ATOM 1264 CG ARG A 86 -10.665 -12.738 -0.394 1.00 0.00 C ATOM 1265 CD ARG A 86 -10.588 -14.201 -0.787 1.00 0.00 C ATOM 1266 NE ARG A 86 -10.274 -15.044 0.365 1.00 0.00 N ATOM 1267 CZ ARG A 86 -9.589 -16.185 0.302 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -9.142 -16.639 -0.862 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -9.351 -16.874 1.407 1.00 0.00 N ATOM 0 H ARG A 86 -9.943 -12.705 2.031 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.232 -10.735 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.947 -11.702 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.577 -12.948 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.235 -12.636 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.199 -12.179 -1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.538 -14.514 -1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.827 -14.334 -1.556 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.602 -14.737 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.322 -16.113 -1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.618 -17.513 -0.901 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.692 -16.531 2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.827 -17.748 1.360 1.00 0.00 H new ATOM 1283 N ILE A 87 -9.543 -9.028 -0.293 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.275 -7.889 -0.815 1.00 0.00 C ATOM 1285 C ILE A 87 -10.641 -8.150 -2.265 1.00 0.00 C ATOM 1286 O ILE A 87 -9.859 -8.745 -3.009 1.00 0.00 O ATOM 1287 CB ILE A 87 -9.469 -6.572 -0.703 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.101 -6.711 -1.383 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -9.307 -6.177 0.759 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.258 -5.454 -1.321 1.00 0.00 C ATOM 0 H ILE A 87 -8.567 -9.072 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.176 -7.767 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.021 -5.784 -1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.553 -7.528 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.251 -6.986 -2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.738 -5.249 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.290 -6.033 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.777 -6.966 1.292 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.306 -5.629 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.784 -4.638 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.076 -5.189 -0.279 1.00 0.00 H new ATOM 1302 N LEU A 88 -11.831 -7.738 -2.660 1.00 0.00 N ATOM 1303 CA LEU A 88 -12.310 -7.999 -4.005 1.00 0.00 C ATOM 1304 C LEU A 88 -12.154 -6.767 -4.881 1.00 0.00 C ATOM 1305 O LEU A 88 -12.812 -5.749 -4.664 1.00 0.00 O ATOM 1306 CB LEU A 88 -13.778 -8.446 -3.992 1.00 0.00 C ATOM 1307 CG LEU A 88 -14.052 -9.834 -3.403 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -13.964 -9.824 -1.882 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -15.410 -10.337 -3.862 1.00 0.00 C ATOM 0 H LEU A 88 -12.483 -7.222 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.705 -8.806 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.355 -7.713 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.152 -8.427 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.283 -10.514 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.164 -10.825 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.965 -9.512 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.700 -9.128 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.595 -11.324 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.185 -9.647 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.426 -10.401 -4.950 1.00 0.00 H new ATOM 1321 N ILE A 89 -11.259 -6.849 -5.851 1.00 0.00 N ATOM 1322 CA ILE A 89 -11.105 -5.781 -6.819 1.00 0.00 C ATOM 1323 C ILE A 89 -11.998 -6.063 -8.025 1.00 0.00 C ATOM 1324 O ILE A 89 -12.153 -7.211 -8.445 1.00 0.00 O ATOM 1325 CB ILE A 89 -9.630 -5.604 -7.267 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -9.463 -4.298 -8.050 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -9.169 -6.791 -8.104 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -8.032 -4.006 -8.457 1.00 0.00 C ATOM 0 H ILE A 89 -10.631 -7.641 -5.987 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.405 -4.847 -6.344 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.006 -5.557 -6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.084 -4.340 -8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.834 -3.472 -7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.132 -6.643 -8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.248 -7.704 -7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.796 -6.876 -8.991 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.995 -3.066 -9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.409 -3.930 -7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.662 -4.812 -9.091 1.00 0.00 H new ATOM 1340 N LYS A 90 -12.607 -5.020 -8.558 1.00 0.00 N ATOM 1341 CA LYS A 90 -13.557 -5.175 -9.645 1.00 0.00 C ATOM 1342 C LYS A 90 -12.889 -4.996 -11.002 1.00 0.00 C ATOM 1343 O LYS A 90 -13.494 -5.250 -12.040 1.00 0.00 O ATOM 1344 CB LYS A 90 -14.698 -4.178 -9.475 1.00 0.00 C ATOM 1345 CG LYS A 90 -15.651 -4.542 -8.350 1.00 0.00 C ATOM 1346 CD LYS A 90 -16.614 -3.410 -8.051 1.00 0.00 C ATOM 1347 CE LYS A 90 -17.965 -3.936 -7.605 1.00 0.00 C ATOM 1348 NZ LYS A 90 -18.609 -4.739 -8.677 1.00 0.00 N ATOM 0 H LYS A 90 -12.461 -4.057 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.955 -6.189 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.282 -3.189 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -15.257 -4.113 -10.409 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.212 -5.436 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.081 -4.783 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.196 -2.771 -7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.738 -2.791 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.843 -4.548 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -18.612 -3.102 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -19.642 -4.646 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.293 -4.395 -9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -18.343 -5.739 -8.569 1.00 0.00 H new ATOM 1362 N ASN A 91 -11.636 -4.562 -10.988 1.00 0.00 N ATOM 1363 CA ASN A 91 -10.902 -4.320 -12.223 1.00 0.00 C ATOM 1364 C ASN A 91 -9.404 -4.573 -12.038 1.00 0.00 C ATOM 1365 O ASN A 91 -8.607 -3.645 -11.923 1.00 0.00 O ATOM 1366 CB ASN A 91 -11.172 -2.894 -12.733 1.00 0.00 C ATOM 1367 CG ASN A 91 -10.960 -1.821 -11.673 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -9.889 -1.227 -11.576 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -11.983 -1.567 -10.871 1.00 0.00 N ATOM 0 H ASN A 91 -11.107 -4.371 -10.137 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.256 -5.024 -12.976 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.519 -2.690 -13.581 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -12.197 -2.835 -13.099 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.896 -0.858 -10.143 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.857 -2.081 -10.981 1.00 0.00 H new ATOM 1376 N PRO A 92 -8.999 -5.853 -12.006 1.00 0.00 N ATOM 1377 CA PRO A 92 -7.595 -6.231 -11.814 1.00 0.00 C ATOM 1378 C PRO A 92 -6.753 -6.003 -13.066 1.00 0.00 C ATOM 1379 O PRO A 92 -5.530 -6.136 -13.039 1.00 0.00 O ATOM 1380 CB PRO A 92 -7.679 -7.722 -11.489 1.00 0.00 C ATOM 1381 CG PRO A 92 -8.914 -8.191 -12.179 1.00 0.00 C ATOM 1382 CD PRO A 92 -9.876 -7.034 -12.150 1.00 0.00 C ATOM 0 HA PRO A 92 -7.112 -5.635 -11.039 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.799 -8.255 -11.847 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.738 -7.890 -10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.697 -8.491 -13.204 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.335 -9.060 -11.675 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.469 -6.983 -13.063 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.577 -7.116 -11.319 1.00 0.00 H new ATOM 1390 N GLU A 93 -7.417 -5.633 -14.151 1.00 0.00 N ATOM 1391 CA GLU A 93 -6.757 -5.440 -15.435 1.00 0.00 C ATOM 1392 C GLU A 93 -6.013 -4.107 -15.474 1.00 0.00 C ATOM 1393 O GLU A 93 -5.241 -3.843 -16.395 1.00 0.00 O ATOM 1394 CB GLU A 93 -7.786 -5.487 -16.560 1.00 0.00 C ATOM 1395 CG GLU A 93 -8.690 -6.705 -16.506 1.00 0.00 C ATOM 1396 CD GLU A 93 -9.750 -6.678 -17.580 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -10.589 -5.758 -17.560 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -9.739 -7.567 -18.459 1.00 0.00 O ATOM 0 H GLU A 93 -8.422 -5.459 -14.168 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.032 -6.243 -15.569 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.400 -4.587 -16.518 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.266 -5.473 -17.518 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.088 -7.607 -16.615 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.168 -6.757 -15.528 1.00 0.00 H new ATOM 1405 N TYR A 94 -6.260 -3.267 -14.477 1.00 0.00 N ATOM 1406 CA TYR A 94 -5.619 -1.964 -14.406 1.00 0.00 C ATOM 1407 C TYR A 94 -4.306 -2.048 -13.642 1.00 0.00 C ATOM 1408 O TYR A 94 -3.455 -1.162 -13.755 1.00 0.00 O ATOM 1409 CB TYR A 94 -6.553 -0.937 -13.766 1.00 0.00 C ATOM 1410 CG TYR A 94 -7.700 -0.541 -14.666 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -8.832 -1.340 -14.781 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -7.642 0.626 -15.416 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -9.875 -0.982 -15.612 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -8.680 0.988 -16.251 1.00 0.00 C ATOM 1415 CZ TYR A 94 -9.792 0.181 -16.346 1.00 0.00 C ATOM 1416 OH TYR A 94 -10.827 0.536 -17.183 1.00 0.00 O ATOM 0 H TYR A 94 -6.899 -3.466 -13.708 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.399 -1.638 -15.423 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.951 -1.345 -12.837 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.981 -0.047 -13.503 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.897 -2.255 -14.211 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.771 1.261 -15.345 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -10.751 -1.610 -15.686 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.620 1.900 -16.827 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.613 1.383 -17.627 1.00 0.00 H new ATOM 1426 N PHE A 95 -4.140 -3.116 -12.872 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.887 -3.350 -12.179 1.00 0.00 C ATOM 1428 C PHE A 95 -1.963 -4.152 -13.085 1.00 0.00 C ATOM 1429 O PHE A 95 -2.012 -5.384 -13.116 1.00 0.00 O ATOM 1430 CB PHE A 95 -3.117 -4.081 -10.850 1.00 0.00 C ATOM 1431 CG PHE A 95 -1.869 -4.237 -10.025 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -1.319 -3.148 -9.369 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -1.247 -5.468 -9.909 1.00 0.00 C ATOM 1434 CE1 PHE A 95 -0.175 -3.287 -8.610 1.00 0.00 C ATOM 1435 CE2 PHE A 95 -0.101 -5.612 -9.152 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.437 -4.519 -8.503 1.00 0.00 C ATOM 0 H PHE A 95 -4.854 -3.827 -12.714 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.424 -2.392 -11.944 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.861 -3.536 -10.269 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.533 -5.068 -11.055 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.791 -2.180 -9.452 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.663 -6.326 -10.416 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.241 -2.431 -8.100 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.374 -6.578 -9.068 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.335 -4.628 -7.913 1.00 0.00 H new ATOM 1446 N SER A 96 -1.154 -3.446 -13.851 1.00 0.00 N ATOM 1447 CA SER A 96 -0.282 -4.075 -14.823 1.00 0.00 C ATOM 1448 C SER A 96 1.039 -4.490 -14.188 1.00 0.00 C ATOM 1449 O SER A 96 1.313 -4.175 -13.024 1.00 0.00 O ATOM 1450 CB SER A 96 -0.051 -3.119 -15.994 1.00 0.00 C ATOM 1451 OG SER A 96 0.261 -1.816 -15.530 1.00 0.00 O ATOM 0 H SER A 96 -1.083 -2.429 -13.818 1.00 0.00 H new ATOM 0 HA SER A 96 -0.762 -4.981 -15.193 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.762 -3.491 -16.618 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.942 -3.083 -16.620 1.00 0.00 H new ATOM 0 HG SER A 96 0.604 -1.869 -14.613 1.00 0.00 H new ATOM 1457 N THR A 97 1.854 -5.197 -14.957 1.00 0.00 N ATOM 1458 CA THR A 97 3.137 -5.677 -14.478 1.00 0.00 C ATOM 1459 C THR A 97 4.065 -4.506 -14.203 1.00 0.00 C ATOM 1460 O THR A 97 4.950 -4.592 -13.369 1.00 0.00 O ATOM 1461 CB THR A 97 3.777 -6.636 -15.502 1.00 0.00 C ATOM 1462 OG1 THR A 97 4.506 -7.669 -14.826 1.00 0.00 O ATOM 1463 CG2 THR A 97 4.711 -5.915 -16.463 1.00 0.00 C ATOM 0 H THR A 97 1.645 -5.451 -15.922 1.00 0.00 H new ATOM 0 HA THR A 97 2.975 -6.225 -13.550 1.00 0.00 H new ATOM 0 HB THR A 97 2.962 -7.068 -16.083 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.348 -7.304 -14.482 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.137 -6.633 -17.164 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.153 -5.158 -17.013 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.513 -5.437 -15.901 1.00 0.00 H new ATOM 1471 N TYR A 98 3.825 -3.416 -14.915 1.00 0.00 N ATOM 1472 CA TYR A 98 4.609 -2.185 -14.781 1.00 0.00 C ATOM 1473 C TYR A 98 4.832 -1.808 -13.309 1.00 0.00 C ATOM 1474 O TYR A 98 5.963 -1.536 -12.887 1.00 0.00 O ATOM 1475 CB TYR A 98 3.898 -1.045 -15.519 1.00 0.00 C ATOM 1476 CG TYR A 98 4.628 0.280 -15.465 1.00 0.00 C ATOM 1477 CD1 TYR A 98 5.865 0.438 -16.075 1.00 0.00 C ATOM 1478 CD2 TYR A 98 4.074 1.372 -14.810 1.00 0.00 C ATOM 1479 CE1 TYR A 98 6.531 1.648 -16.029 1.00 0.00 C ATOM 1480 CE2 TYR A 98 4.734 2.584 -14.761 1.00 0.00 C ATOM 1481 CZ TYR A 98 5.961 2.716 -15.371 1.00 0.00 C ATOM 1482 OH TYR A 98 6.620 3.922 -15.325 1.00 0.00 O ATOM 0 H TYR A 98 3.078 -3.354 -15.607 1.00 0.00 H new ATOM 0 HA TYR A 98 5.590 -2.357 -15.224 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.764 -1.331 -16.562 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.903 -0.916 -15.093 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.313 -0.397 -16.593 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.111 1.272 -14.331 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.494 1.756 -16.507 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.290 3.424 -14.247 1.00 0.00 H new ATOM 0 HH TYR A 98 6.082 4.570 -14.824 1.00 0.00 H new ATOM 1492 N MET A 99 3.757 -1.799 -12.529 1.00 0.00 N ATOM 1493 CA MET A 99 3.856 -1.494 -11.105 1.00 0.00 C ATOM 1494 C MET A 99 4.636 -2.585 -10.384 1.00 0.00 C ATOM 1495 O MET A 99 5.499 -2.301 -9.552 1.00 0.00 O ATOM 1496 CB MET A 99 2.469 -1.349 -10.470 1.00 0.00 C ATOM 1497 CG MET A 99 1.650 -0.182 -11.004 1.00 0.00 C ATOM 1498 SD MET A 99 1.071 -0.440 -12.692 1.00 0.00 S ATOM 1499 CE MET A 99 0.153 1.071 -12.970 1.00 0.00 C ATOM 0 H MET A 99 2.811 -1.998 -12.855 1.00 0.00 H new ATOM 0 HA MET A 99 4.382 -0.545 -11.005 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.911 -2.272 -10.631 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.587 -1.231 -9.393 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.791 -0.020 -10.352 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.254 0.725 -10.968 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.223 1.085 -13.993 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.685 1.121 -12.275 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.807 1.928 -12.812 1.00 0.00 H new ATOM 1509 N GLN A 100 4.337 -3.831 -10.733 1.00 0.00 N ATOM 1510 CA GLN A 100 4.975 -4.994 -10.125 1.00 0.00 C ATOM 1511 C GLN A 100 6.487 -4.959 -10.358 1.00 0.00 C ATOM 1512 O GLN A 100 7.265 -5.164 -9.428 1.00 0.00 O ATOM 1513 CB GLN A 100 4.361 -6.274 -10.710 1.00 0.00 C ATOM 1514 CG GLN A 100 4.619 -7.541 -9.899 1.00 0.00 C ATOM 1515 CD GLN A 100 6.003 -8.133 -10.101 1.00 0.00 C ATOM 1516 OE1 GLN A 100 6.561 -8.736 -9.189 1.00 0.00 O ATOM 1517 NE2 GLN A 100 6.556 -7.991 -11.294 1.00 0.00 N ATOM 0 H GLN A 100 3.645 -4.064 -11.446 1.00 0.00 H new ATOM 0 HA GLN A 100 4.804 -4.978 -9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.284 -6.133 -10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.752 -6.419 -11.717 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.482 -7.317 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.873 -8.289 -10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.062 -7.483 -12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.476 -8.389 -11.480 1.00 0.00 H new ATOM 1526 N GLU A 101 6.890 -4.680 -11.599 1.00 0.00 N ATOM 1527 CA GLU A 101 8.302 -4.625 -11.970 1.00 0.00 C ATOM 1528 C GLU A 101 9.049 -3.648 -11.075 1.00 0.00 C ATOM 1529 O GLU A 101 10.067 -3.992 -10.476 1.00 0.00 O ATOM 1530 CB GLU A 101 8.471 -4.192 -13.433 1.00 0.00 C ATOM 1531 CG GLU A 101 7.678 -5.017 -14.438 1.00 0.00 C ATOM 1532 CD GLU A 101 7.957 -6.503 -14.353 1.00 0.00 C ATOM 1533 OE1 GLU A 101 9.100 -6.915 -14.631 1.00 0.00 O ATOM 1534 OE2 GLU A 101 7.030 -7.269 -14.015 1.00 0.00 O ATOM 0 H GLU A 101 6.250 -4.487 -12.370 1.00 0.00 H new ATOM 0 HA GLU A 101 8.714 -5.626 -11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.173 -3.148 -13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.528 -4.246 -13.693 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.614 -4.845 -14.278 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.909 -4.669 -15.445 1.00 0.00 H new ATOM 1541 N GLN A 102 8.520 -2.430 -10.982 1.00 0.00 N ATOM 1542 CA GLN A 102 9.132 -1.387 -10.169 1.00 0.00 C ATOM 1543 C GLN A 102 9.238 -1.822 -8.712 1.00 0.00 C ATOM 1544 O GLN A 102 10.324 -1.804 -8.133 1.00 0.00 O ATOM 1545 CB GLN A 102 8.319 -0.097 -10.257 1.00 0.00 C ATOM 1546 CG GLN A 102 8.298 0.521 -11.645 1.00 0.00 C ATOM 1547 CD GLN A 102 7.409 1.742 -11.720 1.00 0.00 C ATOM 1548 OE1 GLN A 102 7.855 2.869 -11.504 1.00 0.00 O ATOM 1549 NE2 GLN A 102 6.141 1.526 -12.023 1.00 0.00 N ATOM 0 H GLN A 102 7.667 -2.143 -11.462 1.00 0.00 H new ATOM 0 HA GLN A 102 10.135 -1.209 -10.556 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.295 -0.302 -9.945 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.728 0.628 -9.553 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.313 0.796 -11.933 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.953 -0.221 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.812 0.576 -12.195 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.491 2.310 -12.085 1.00 0.00 H new ATOM 1558 N LEU A 103 8.111 -2.228 -8.137 1.00 0.00 N ATOM 1559 CA LEU A 103 8.057 -2.607 -6.727 1.00 0.00 C ATOM 1560 C LEU A 103 9.007 -3.760 -6.428 1.00 0.00 C ATOM 1561 O LEU A 103 9.806 -3.688 -5.496 1.00 0.00 O ATOM 1562 CB LEU A 103 6.632 -3.000 -6.332 1.00 0.00 C ATOM 1563 CG LEU A 103 5.587 -1.892 -6.480 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.198 -2.430 -6.183 1.00 0.00 C ATOM 1565 CD2 LEU A 103 5.910 -0.718 -5.567 1.00 0.00 C ATOM 0 H LEU A 103 7.219 -2.304 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 103 8.368 -1.742 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.325 -3.851 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.639 -3.335 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 103 5.609 -1.538 -7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.467 -1.629 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.963 -3.234 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.167 -2.813 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.154 0.057 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.920 -1.055 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.889 -0.314 -5.826 1.00 0.00 H new ATOM 1577 N LYS A 104 8.931 -4.810 -7.236 1.00 0.00 N ATOM 1578 CA LYS A 104 9.741 -6.002 -7.026 1.00 0.00 C ATOM 1579 C LYS A 104 11.227 -5.674 -7.102 1.00 0.00 C ATOM 1580 O LYS A 104 12.004 -6.085 -6.243 1.00 0.00 O ATOM 1581 CB LYS A 104 9.392 -7.071 -8.061 1.00 0.00 C ATOM 1582 CG LYS A 104 10.123 -8.388 -7.850 1.00 0.00 C ATOM 1583 CD LYS A 104 9.668 -9.443 -8.841 1.00 0.00 C ATOM 1584 CE LYS A 104 10.322 -10.787 -8.563 1.00 0.00 C ATOM 1585 NZ LYS A 104 9.839 -11.836 -9.492 1.00 0.00 N ATOM 0 H LYS A 104 8.313 -4.860 -8.046 1.00 0.00 H new ATOM 0 HA LYS A 104 9.523 -6.385 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.318 -7.253 -8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.626 -6.691 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.197 -8.230 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.949 -8.743 -6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.584 -9.547 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.911 -9.121 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.404 -10.691 -8.654 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.114 -11.087 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.308 -12.738 -9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.810 -11.946 -9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.060 -11.562 -10.471 1.00 0.00 H new ATOM 1599 N GLU A 105 11.614 -4.914 -8.118 1.00 0.00 N ATOM 1600 CA GLU A 105 13.014 -4.577 -8.315 1.00 0.00 C ATOM 1601 C GLU A 105 13.522 -3.706 -7.168 1.00 0.00 C ATOM 1602 O GLU A 105 14.682 -3.784 -6.795 1.00 0.00 O ATOM 1603 CB GLU A 105 13.220 -3.861 -9.649 1.00 0.00 C ATOM 1604 CG GLU A 105 14.672 -3.815 -10.099 1.00 0.00 C ATOM 1605 CD GLU A 105 15.222 -5.190 -10.430 1.00 0.00 C ATOM 1606 OE1 GLU A 105 15.588 -5.939 -9.501 1.00 0.00 O ATOM 1607 OE2 GLU A 105 15.297 -5.528 -11.630 1.00 0.00 O ATOM 0 H GLU A 105 10.980 -4.522 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 105 13.584 -5.506 -8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.627 -4.361 -10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.842 -2.842 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.757 -3.173 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.278 -3.364 -9.313 1.00 0.00 H new ATOM 1614 N LEU A 106 12.641 -2.891 -6.601 1.00 0.00 N ATOM 1615 CA LEU A 106 13.011 -2.035 -5.478 1.00 0.00 C ATOM 1616 C LEU A 106 13.195 -2.854 -4.204 1.00 0.00 C ATOM 1617 O LEU A 106 13.985 -2.495 -3.332 1.00 0.00 O ATOM 1618 CB LEU A 106 11.960 -0.946 -5.259 1.00 0.00 C ATOM 1619 CG LEU A 106 11.853 0.087 -6.382 1.00 0.00 C ATOM 1620 CD1 LEU A 106 10.772 1.107 -6.067 1.00 0.00 C ATOM 1621 CD2 LEU A 106 13.191 0.781 -6.599 1.00 0.00 C ATOM 0 H LEU A 106 11.669 -2.804 -6.898 1.00 0.00 H new ATOM 0 HA LEU A 106 13.961 -1.559 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.988 -1.422 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.186 -0.426 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 106 11.580 -0.432 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.710 1.834 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.813 0.600 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.016 1.620 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.096 1.512 -7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.492 1.286 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.945 0.042 -6.870 1.00 0.00 H new ATOM 1633 N VAL A 107 12.462 -3.957 -4.104 1.00 0.00 N ATOM 1634 CA VAL A 107 12.582 -4.853 -2.959 1.00 0.00 C ATOM 1635 C VAL A 107 13.826 -5.727 -3.092 1.00 0.00 C ATOM 1636 O VAL A 107 14.491 -6.036 -2.099 1.00 0.00 O ATOM 1637 CB VAL A 107 11.329 -5.748 -2.801 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.475 -6.694 -1.618 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.082 -4.894 -2.637 1.00 0.00 C ATOM 0 H VAL A 107 11.779 -4.252 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 107 12.671 -4.232 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 107 11.231 -6.347 -3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.580 -7.310 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.343 -7.335 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.607 -6.115 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.211 -5.540 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.184 -4.268 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.956 -4.261 -3.516 1.00 0.00 H new ATOM 1649 N LEU A 108 14.140 -6.116 -4.324 1.00 0.00 N ATOM 1650 CA LEU A 108 15.328 -6.918 -4.599 1.00 0.00 C ATOM 1651 C LEU A 108 16.587 -6.057 -4.583 1.00 0.00 C ATOM 1652 O LEU A 108 17.610 -6.454 -4.025 1.00 0.00 O ATOM 1653 CB LEU A 108 15.197 -7.643 -5.945 1.00 0.00 C ATOM 1654 CG LEU A 108 14.536 -9.029 -5.894 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.327 -9.963 -4.995 1.00 0.00 C ATOM 1656 CD2 LEU A 108 13.095 -8.933 -5.419 1.00 0.00 C ATOM 0 H LEU A 108 13.587 -5.888 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 108 15.414 -7.665 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.622 -7.011 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.192 -7.751 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 108 14.532 -9.436 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.844 -10.940 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.341 -10.069 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.365 -9.552 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.653 -9.929 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.070 -8.499 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.528 -8.302 -6.103 1.00 0.00 H new ATOM 1668 N GLU A 109 16.508 -4.872 -5.180 1.00 0.00 N ATOM 1669 CA GLU A 109 17.631 -3.939 -5.169 1.00 0.00 C ATOM 1670 C GLU A 109 17.666 -3.156 -3.865 1.00 0.00 C ATOM 1671 O GLU A 109 18.380 -2.164 -3.742 1.00 0.00 O ATOM 1672 CB GLU A 109 17.574 -2.974 -6.356 1.00 0.00 C ATOM 1673 CG GLU A 109 18.664 -3.221 -7.390 1.00 0.00 C ATOM 1674 CD GLU A 109 20.060 -3.137 -6.801 1.00 0.00 C ATOM 1675 OE1 GLU A 109 20.608 -2.017 -6.696 1.00 0.00 O ATOM 1676 OE2 GLU A 109 20.624 -4.193 -6.450 1.00 0.00 O ATOM 0 H GLU A 109 15.682 -4.535 -5.676 1.00 0.00 H new ATOM 0 HA GLU A 109 18.544 -4.529 -5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.600 -3.060 -6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.658 -1.952 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.521 -4.206 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.569 -2.491 -8.194 1.00 0.00 H new ATOM 1683 N HIS A 110 16.891 -3.602 -2.893 1.00 0.00 N ATOM 1684 CA HIS A 110 16.987 -3.066 -1.552 1.00 0.00 C ATOM 1685 C HIS A 110 18.273 -3.569 -0.922 1.00 0.00 C ATOM 1686 O HIS A 110 18.301 -4.658 -0.344 1.00 0.00 O ATOM 1687 CB HIS A 110 15.778 -3.480 -0.705 1.00 0.00 C ATOM 1688 CG HIS A 110 15.794 -2.928 0.690 1.00 0.00 C ATOM 1689 ND1 HIS A 110 16.457 -3.536 1.732 1.00 0.00 N ATOM 1690 CD2 HIS A 110 15.220 -1.820 1.213 1.00 0.00 C ATOM 1691 CE1 HIS A 110 16.294 -2.827 2.829 1.00 0.00 C ATOM 1692 NE2 HIS A 110 15.545 -1.778 2.547 1.00 0.00 N ATOM 0 H HIS A 110 16.190 -4.333 -3.009 1.00 0.00 H new ATOM 0 HA HIS A 110 16.996 -1.977 -1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 110 14.867 -3.151 -1.205 1.00 0.00 H new ATOM 0 HB3 HIS A 110 15.738 -4.568 -0.654 1.00 0.00 H new ATOM 0 HD2 HIS A 110 14.617 -1.100 0.679 1.00 0.00 H new ATOM 0 HE1 HIS A 110 16.705 -3.065 3.799 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.256 -1.057 3.208 1.00 0.00 H new