USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 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 43 THR OG1 : rot 90:sc= 0.374 USER MOD Set 1.2: A 44 ASN : amide:sc= 0.345 K(o=0.72,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -72:sc= 0.0222 USER MOD Single : A 27 GLN : amide:sc= -1.23 X(o=-1.2,f=-0.77) USER MOD Single : A 35 SER OG : rot 20:sc= 0.477 USER MOD Single : A 47 MET CE :methyl -148:sc= -5.37! (180deg=-5.72!) USER MOD Single : A 57 CYS SG : rot 15:sc= -2.68! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 170:sc= -0.881 USER MOD Single : A 67 ASN : amide:sc= -0.0055 X(o=-0.0055,f=-0.0055) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N GLY A 17 7.921 1.833 3.433 1.00 0.00 N ATOM 210 CA GLY A 17 7.132 2.456 4.480 1.00 0.00 C ATOM 211 C GLY A 17 5.985 1.579 4.941 1.00 0.00 C ATOM 212 O GLY A 17 6.190 0.425 5.318 1.00 0.00 O ATOM 0 HA2 GLY A 17 7.776 2.683 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.737 3.405 4.117 1.00 0.00 H new ATOM 216 N ILE A 18 4.775 2.127 4.914 1.00 0.00 N ATOM 217 CA ILE A 18 3.592 1.387 5.333 1.00 0.00 C ATOM 218 C ILE A 18 2.962 0.645 4.159 1.00 0.00 C ATOM 219 O ILE A 18 2.868 1.177 3.052 1.00 0.00 O ATOM 220 CB ILE A 18 2.538 2.318 5.962 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.116 3.019 7.193 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.289 1.532 6.331 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.322 4.233 7.624 1.00 0.00 C ATOM 0 H ILE A 18 4.588 3.081 4.606 1.00 0.00 H new ATOM 0 HA ILE A 18 3.921 0.666 6.081 1.00 0.00 H new ATOM 0 HB ILE A 18 2.262 3.077 5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.157 2.310 8.019 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.141 3.322 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.554 2.204 6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.869 1.075 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.548 0.753 7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.789 4.680 8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.302 4.961 6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.303 3.933 7.868 1.00 0.00 H new ATOM 235 N THR A 19 2.530 -0.587 4.407 1.00 0.00 N ATOM 236 CA THR A 19 1.909 -1.403 3.371 1.00 0.00 C ATOM 237 C THR A 19 0.516 -1.858 3.791 1.00 0.00 C ATOM 238 O THR A 19 0.288 -2.197 4.952 1.00 0.00 O ATOM 239 CB THR A 19 2.764 -2.641 3.042 1.00 0.00 C ATOM 240 OG1 THR A 19 3.090 -3.345 4.246 1.00 0.00 O ATOM 241 CG2 THR A 19 4.042 -2.240 2.321 1.00 0.00 C ATOM 0 H THR A 19 2.599 -1.042 5.317 1.00 0.00 H new ATOM 0 HA THR A 19 1.831 -0.778 2.481 1.00 0.00 H new ATOM 0 HB THR A 19 2.185 -3.292 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.632 -4.132 4.028 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.629 -3.131 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.790 -1.730 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.623 -1.571 2.956 1.00 0.00 H new ATOM 249 N ALA A 20 -0.412 -1.864 2.840 1.00 0.00 N ATOM 250 CA ALA A 20 -1.782 -2.280 3.112 1.00 0.00 C ATOM 251 C ALA A 20 -2.309 -3.189 2.007 1.00 0.00 C ATOM 252 O ALA A 20 -1.722 -3.277 0.928 1.00 0.00 O ATOM 253 CB ALA A 20 -2.682 -1.064 3.271 1.00 0.00 C ATOM 0 H ALA A 20 -0.240 -1.585 1.874 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.785 -2.845 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.702 -1.390 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.325 -0.453 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.665 -0.476 2.353 1.00 0.00 H new ATOM 259 N VAL A 21 -3.420 -3.866 2.282 1.00 0.00 N ATOM 260 CA VAL A 21 -4.026 -4.768 1.311 1.00 0.00 C ATOM 261 C VAL A 21 -5.456 -4.350 0.990 1.00 0.00 C ATOM 262 O VAL A 21 -6.249 -4.071 1.889 1.00 0.00 O ATOM 263 CB VAL A 21 -4.030 -6.221 1.821 1.00 0.00 C ATOM 264 CG1 VAL A 21 -5.076 -6.402 2.911 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.273 -7.189 0.672 1.00 0.00 C ATOM 0 H VAL A 21 -3.918 -3.806 3.170 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.422 -4.710 0.406 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.052 -6.439 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.064 -7.435 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.852 -5.736 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.062 -6.165 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.273 -8.211 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.237 -6.973 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.483 -7.077 -0.071 1.00 0.00 H new ATOM 275 N ALA A 22 -5.780 -4.309 -0.299 1.00 0.00 N ATOM 276 CA ALA A 22 -7.116 -3.927 -0.739 1.00 0.00 C ATOM 277 C ALA A 22 -8.145 -4.984 -0.351 1.00 0.00 C ATOM 278 O ALA A 22 -7.843 -6.177 -0.322 1.00 0.00 O ATOM 279 CB ALA A 22 -7.131 -3.700 -2.243 1.00 0.00 C ATOM 0 H ALA A 22 -5.135 -4.536 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.384 -2.996 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.135 -3.415 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.431 -2.904 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.838 -4.618 -2.752 1.00 0.00 H new ATOM 285 N LEU A 23 -9.360 -4.538 -0.053 1.00 0.00 N ATOM 286 CA LEU A 23 -10.435 -5.446 0.334 1.00 0.00 C ATOM 287 C LEU A 23 -11.436 -5.620 -0.803 1.00 0.00 C ATOM 288 O LEU A 23 -11.892 -6.731 -1.078 1.00 0.00 O ATOM 289 CB LEU A 23 -11.148 -4.921 1.581 1.00 0.00 C ATOM 290 CG LEU A 23 -10.260 -4.640 2.794 1.00 0.00 C ATOM 291 CD1 LEU A 23 -11.045 -3.909 3.872 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.679 -5.936 3.341 1.00 0.00 C ATOM 0 H LEU A 23 -9.626 -3.553 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.994 -6.418 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.669 -4.001 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.908 -5.646 1.873 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.436 -4.001 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.397 -3.718 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.412 -2.962 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.889 -4.523 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.050 -5.717 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.490 -6.600 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.081 -6.421 2.569 1.00 0.00 H new ATOM 304 N TYR A 24 -11.773 -4.517 -1.462 1.00 0.00 N ATOM 305 CA TYR A 24 -12.721 -4.548 -2.570 1.00 0.00 C ATOM 306 C TYR A 24 -12.248 -3.660 -3.717 1.00 0.00 C ATOM 307 O TYR A 24 -11.595 -2.639 -3.498 1.00 0.00 O ATOM 308 CB TYR A 24 -14.104 -4.097 -2.098 1.00 0.00 C ATOM 309 CG TYR A 24 -14.487 -4.639 -0.739 1.00 0.00 C ATOM 310 CD1 TYR A 24 -14.069 -4.006 0.425 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.264 -5.784 -0.620 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.416 -4.498 1.669 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.617 -6.282 0.620 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.190 -5.636 1.761 1.00 0.00 C ATOM 315 OH TYR A 24 -15.538 -6.129 2.997 1.00 0.00 O ATOM 0 H TYR A 24 -11.404 -3.590 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.785 -5.574 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.130 -3.008 -2.066 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.849 -4.413 -2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.463 -3.115 0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.598 -6.294 -1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.083 -3.994 2.564 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.224 -7.172 0.695 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.085 -6.934 2.886 1.00 0.00 H new ATOM 325 N ASP A 25 -12.583 -4.055 -4.940 1.00 0.00 N ATOM 326 CA ASP A 25 -12.195 -3.296 -6.122 1.00 0.00 C ATOM 327 C ASP A 25 -12.511 -1.814 -5.944 1.00 0.00 C ATOM 328 O ASP A 25 -13.486 -1.452 -5.286 1.00 0.00 O ATOM 329 CB ASP A 25 -12.911 -3.837 -7.360 1.00 0.00 C ATOM 330 CG ASP A 25 -14.407 -3.973 -7.151 1.00 0.00 C ATOM 331 OD1 ASP A 25 -15.010 -3.049 -6.567 1.00 0.00 O ATOM 332 OD2 ASP A 25 -14.974 -5.003 -7.571 1.00 0.00 O ATOM 0 H ASP A 25 -13.123 -4.897 -5.139 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.119 -3.406 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.724 -3.173 -8.204 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.494 -4.809 -7.621 1.00 0.00 H new ATOM 337 N TYR A 26 -11.680 -0.962 -6.534 1.00 0.00 N ATOM 338 CA TYR A 26 -11.869 0.481 -6.438 1.00 0.00 C ATOM 339 C TYR A 26 -11.349 1.183 -7.688 1.00 0.00 C ATOM 340 O TYR A 26 -10.204 0.983 -8.094 1.00 0.00 O ATOM 341 CB TYR A 26 -11.157 1.027 -5.199 1.00 0.00 C ATOM 342 CG TYR A 26 -11.694 2.362 -4.732 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.264 3.548 -5.314 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.632 2.435 -3.709 1.00 0.00 C ATOM 345 CE1 TYR A 26 -11.751 4.769 -4.889 1.00 0.00 C ATOM 346 CE2 TYR A 26 -13.126 3.652 -3.280 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.682 4.816 -3.873 1.00 0.00 C ATOM 348 OH TYR A 26 -13.171 6.030 -3.448 1.00 0.00 O ATOM 0 H TYR A 26 -10.869 -1.245 -7.084 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.938 0.678 -6.352 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.249 0.304 -4.389 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.094 1.128 -5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.537 3.515 -6.112 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.980 1.526 -3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.404 5.682 -5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.856 3.692 -2.485 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.476 6.505 -2.946 1.00 0.00 H new ATOM 358 N GLN A 27 -12.199 2.006 -8.294 1.00 0.00 N ATOM 359 CA GLN A 27 -11.826 2.738 -9.498 1.00 0.00 C ATOM 360 C GLN A 27 -11.766 4.238 -9.227 1.00 0.00 C ATOM 361 O GLN A 27 -12.787 4.870 -8.958 1.00 0.00 O ATOM 362 CB GLN A 27 -12.820 2.450 -10.624 1.00 0.00 C ATOM 363 CG GLN A 27 -14.273 2.615 -10.209 1.00 0.00 C ATOM 364 CD GLN A 27 -14.852 1.355 -9.597 1.00 0.00 C ATOM 365 OE1 GLN A 27 -15.454 1.392 -8.524 1.00 0.00 O ATOM 366 NE2 GLN A 27 -14.672 0.229 -10.279 1.00 0.00 N ATOM 0 H GLN A 27 -13.150 2.182 -7.971 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.835 2.403 -9.804 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.612 3.117 -11.461 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.666 1.432 -10.982 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.351 3.432 -9.492 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.866 2.897 -11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.167 0.245 -11.165 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.039 -0.651 -9.917 1.00 0.00 H new ATOM 375 N ALA A 28 -10.565 4.800 -9.299 1.00 0.00 N ATOM 376 CA ALA A 28 -10.373 6.226 -9.063 1.00 0.00 C ATOM 377 C ALA A 28 -11.544 7.035 -9.610 1.00 0.00 C ATOM 378 O ALA A 28 -12.036 6.770 -10.706 1.00 0.00 O ATOM 379 CB ALA A 28 -9.068 6.694 -9.690 1.00 0.00 C ATOM 0 H ALA A 28 -9.709 4.290 -9.519 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.325 6.387 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.938 7.760 -9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.235 6.145 -9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.095 6.512 -10.764 1.00 0.00 H new ATOM 385 N ALA A 29 -11.986 8.023 -8.838 1.00 0.00 N ATOM 386 CA ALA A 29 -13.099 8.871 -9.245 1.00 0.00 C ATOM 387 C ALA A 29 -12.623 10.006 -10.146 1.00 0.00 C ATOM 388 O ALA A 29 -13.282 10.354 -11.125 1.00 0.00 O ATOM 389 CB ALA A 29 -13.813 9.429 -8.023 1.00 0.00 C ATOM 0 H ALA A 29 -11.590 8.255 -7.927 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.800 8.260 -9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.642 10.060 -8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.195 8.607 -7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.114 10.020 -7.431 1.00 0.00 H new ATOM 395 N GLY A 30 -11.473 10.582 -9.807 1.00 0.00 N ATOM 396 CA GLY A 30 -10.929 11.672 -10.595 1.00 0.00 C ATOM 397 C GLY A 30 -10.085 12.621 -9.766 1.00 0.00 C ATOM 398 O GLY A 30 -9.117 13.197 -10.264 1.00 0.00 O ATOM 0 H GLY A 30 -10.909 10.313 -9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.323 11.264 -11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.746 12.226 -11.057 1.00 0.00 H new ATOM 402 N ASP A 31 -10.452 12.785 -8.500 1.00 0.00 N ATOM 403 CA ASP A 31 -9.722 13.671 -7.601 1.00 0.00 C ATOM 404 C ASP A 31 -8.349 13.096 -7.267 1.00 0.00 C ATOM 405 O ASP A 31 -8.102 12.670 -6.139 1.00 0.00 O ATOM 406 CB ASP A 31 -10.520 13.900 -6.317 1.00 0.00 C ATOM 407 CG ASP A 31 -11.670 14.868 -6.513 1.00 0.00 C ATOM 408 OD1 ASP A 31 -11.509 15.829 -7.294 1.00 0.00 O ATOM 409 OD2 ASP A 31 -12.731 14.665 -5.886 1.00 0.00 O ATOM 0 H ASP A 31 -11.251 12.316 -8.073 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.582 14.626 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.909 12.946 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.855 14.283 -5.543 1.00 0.00 H new ATOM 414 N ASP A 32 -7.462 13.084 -8.255 1.00 0.00 N ATOM 415 CA ASP A 32 -6.114 12.561 -8.066 1.00 0.00 C ATOM 416 C ASP A 32 -6.150 11.207 -7.365 1.00 0.00 C ATOM 417 O ASP A 32 -5.197 10.821 -6.689 1.00 0.00 O ATOM 418 CB ASP A 32 -5.270 13.546 -7.256 1.00 0.00 C ATOM 419 CG ASP A 32 -4.546 14.547 -8.135 1.00 0.00 C ATOM 420 OD1 ASP A 32 -3.990 14.132 -9.172 1.00 0.00 O ATOM 421 OD2 ASP A 32 -4.536 15.746 -7.784 1.00 0.00 O ATOM 0 H ASP A 32 -7.652 13.430 -9.195 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.661 12.430 -9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.912 14.080 -6.555 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.541 12.994 -6.663 1.00 0.00 H new ATOM 426 N GLU A 33 -7.258 10.490 -7.530 1.00 0.00 N ATOM 427 CA GLU A 33 -7.419 9.180 -6.911 1.00 0.00 C ATOM 428 C GLU A 33 -6.768 8.092 -7.761 1.00 0.00 C ATOM 429 O GLU A 33 -6.534 8.281 -8.955 1.00 0.00 O ATOM 430 CB GLU A 33 -8.902 8.865 -6.709 1.00 0.00 C ATOM 431 CG GLU A 33 -9.591 9.788 -5.718 1.00 0.00 C ATOM 432 CD GLU A 33 -11.067 9.966 -6.015 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.402 10.806 -6.876 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.887 9.265 -5.386 1.00 0.00 O ATOM 0 H GLU A 33 -8.056 10.795 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.924 9.203 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.413 8.931 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.002 7.836 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.473 9.387 -4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.101 10.762 -5.733 1.00 0.00 H new ATOM 441 N ILE A 34 -6.477 6.956 -7.137 1.00 0.00 N ATOM 442 CA ILE A 34 -5.854 5.839 -7.836 1.00 0.00 C ATOM 443 C ILE A 34 -6.810 4.655 -7.943 1.00 0.00 C ATOM 444 O ILE A 34 -7.797 4.573 -7.212 1.00 0.00 O ATOM 445 CB ILE A 34 -4.565 5.380 -7.128 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.839 5.110 -5.647 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.473 6.427 -7.288 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.667 4.490 -4.919 1.00 0.00 C ATOM 0 H ILE A 34 -6.663 6.785 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.604 6.193 -8.836 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.224 4.453 -7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.105 6.047 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.701 4.449 -5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.568 6.089 -6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.263 6.575 -8.347 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.804 7.368 -6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.933 4.327 -3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.414 3.536 -5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.809 5.160 -4.975 1.00 0.00 H new ATOM 460 N SER A 35 -6.510 3.740 -8.859 1.00 0.00 N ATOM 461 CA SER A 35 -7.343 2.561 -9.064 1.00 0.00 C ATOM 462 C SER A 35 -6.540 1.283 -8.844 1.00 0.00 C ATOM 463 O SER A 35 -5.517 1.060 -9.491 1.00 0.00 O ATOM 464 CB SER A 35 -7.936 2.569 -10.474 1.00 0.00 C ATOM 465 OG SER A 35 -6.923 2.418 -11.453 1.00 0.00 O ATOM 0 H SER A 35 -5.696 3.793 -9.471 1.00 0.00 H new ATOM 0 HA SER A 35 -8.154 2.588 -8.336 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.663 1.763 -10.571 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.472 3.503 -10.641 1.00 0.00 H new ATOM 0 HG SER A 35 -6.126 2.023 -11.041 1.00 0.00 H new ATOM 471 N PHE A 36 -7.011 0.446 -7.925 1.00 0.00 N ATOM 472 CA PHE A 36 -6.337 -0.810 -7.618 1.00 0.00 C ATOM 473 C PHE A 36 -7.343 -1.951 -7.496 1.00 0.00 C ATOM 474 O PHE A 36 -8.494 -1.740 -7.114 1.00 0.00 O ATOM 475 CB PHE A 36 -5.537 -0.680 -6.321 1.00 0.00 C ATOM 476 CG PHE A 36 -6.213 0.168 -5.282 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.435 -0.209 -4.748 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.626 1.342 -4.838 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.059 0.571 -3.793 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.245 2.126 -3.882 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.463 1.739 -3.358 1.00 0.00 C ATOM 0 H PHE A 36 -7.857 0.615 -7.380 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.654 -1.037 -8.437 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.363 -1.674 -5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.560 -0.253 -6.547 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.905 -1.122 -5.082 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.673 1.648 -5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.013 0.268 -3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.777 3.039 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.948 2.348 -2.610 1.00 0.00 H new ATOM 491 N ASP A 37 -6.900 -3.160 -7.823 1.00 0.00 N ATOM 492 CA ASP A 37 -7.760 -4.335 -7.750 1.00 0.00 C ATOM 493 C ASP A 37 -7.877 -4.834 -6.313 1.00 0.00 C ATOM 494 O ASP A 37 -7.063 -4.509 -5.449 1.00 0.00 O ATOM 495 CB ASP A 37 -7.216 -5.448 -8.647 1.00 0.00 C ATOM 496 CG ASP A 37 -7.772 -5.380 -10.056 1.00 0.00 C ATOM 497 OD1 ASP A 37 -8.950 -4.995 -10.210 1.00 0.00 O ATOM 498 OD2 ASP A 37 -7.030 -5.713 -11.004 1.00 0.00 O ATOM 0 H ASP A 37 -5.950 -3.352 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.753 -4.051 -8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.129 -5.381 -8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.461 -6.416 -8.209 1.00 0.00 H new ATOM 503 N PRO A 38 -8.915 -5.643 -6.050 1.00 0.00 N ATOM 504 CA PRO A 38 -9.163 -6.204 -4.719 1.00 0.00 C ATOM 505 C PRO A 38 -8.123 -7.248 -4.326 1.00 0.00 C ATOM 506 O PRO A 38 -7.739 -8.091 -5.137 1.00 0.00 O ATOM 507 CB PRO A 38 -10.544 -6.850 -4.858 1.00 0.00 C ATOM 508 CG PRO A 38 -10.673 -7.159 -6.310 1.00 0.00 C ATOM 509 CD PRO A 38 -9.924 -6.073 -7.032 1.00 0.00 C ATOM 0 HA PRO A 38 -9.109 -5.443 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.621 -7.753 -4.253 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.332 -6.175 -4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.256 -8.140 -6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.720 -7.179 -6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.462 -6.444 -7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.582 -5.252 -7.317 1.00 0.00 H new ATOM 517 N ASP A 39 -7.672 -7.186 -3.078 1.00 0.00 N ATOM 518 CA ASP A 39 -6.677 -8.128 -2.578 1.00 0.00 C ATOM 519 C ASP A 39 -5.293 -7.799 -3.127 1.00 0.00 C ATOM 520 O ASP A 39 -4.452 -8.684 -3.289 1.00 0.00 O ATOM 521 CB ASP A 39 -7.063 -9.559 -2.955 1.00 0.00 C ATOM 522 CG ASP A 39 -8.553 -9.810 -2.827 1.00 0.00 C ATOM 523 OD1 ASP A 39 -9.117 -9.494 -1.759 1.00 0.00 O ATOM 524 OD2 ASP A 39 -9.153 -10.324 -3.794 1.00 0.00 O ATOM 0 H ASP A 39 -7.979 -6.494 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.646 -8.043 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.751 -9.758 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.524 -10.258 -2.316 1.00 0.00 H new ATOM 529 N ASP A 40 -5.063 -6.522 -3.413 1.00 0.00 N ATOM 530 CA ASP A 40 -3.781 -6.076 -3.944 1.00 0.00 C ATOM 531 C ASP A 40 -2.899 -5.511 -2.835 1.00 0.00 C ATOM 532 O ASP A 40 -3.377 -5.219 -1.738 1.00 0.00 O ATOM 533 CB ASP A 40 -3.994 -5.020 -5.030 1.00 0.00 C ATOM 534 CG ASP A 40 -4.505 -5.618 -6.326 1.00 0.00 C ATOM 535 OD1 ASP A 40 -5.128 -6.700 -6.276 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.283 -5.004 -7.391 1.00 0.00 O ATOM 0 H ASP A 40 -5.748 -5.777 -3.286 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.277 -6.939 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.704 -4.274 -4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.054 -4.502 -5.218 1.00 0.00 H new ATOM 541 N ILE A 41 -1.612 -5.362 -3.127 1.00 0.00 N ATOM 542 CA ILE A 41 -0.665 -4.832 -2.154 1.00 0.00 C ATOM 543 C ILE A 41 -0.185 -3.442 -2.555 1.00 0.00 C ATOM 544 O ILE A 41 0.045 -3.169 -3.733 1.00 0.00 O ATOM 545 CB ILE A 41 0.556 -5.758 -1.995 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.112 -7.147 -1.529 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.552 -5.158 -1.014 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.606 -7.136 -0.198 1.00 0.00 C ATOM 0 H ILE A 41 -1.201 -5.601 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.192 -4.771 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 41 1.046 -5.859 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.544 -7.582 -2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.986 -7.794 -1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.409 -5.824 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.887 -4.189 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.074 -5.031 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.891 -8.153 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.055 -6.731 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.499 -6.516 -0.272 1.00 0.00 H new ATOM 560 N ILE A 42 -0.033 -2.567 -1.566 1.00 0.00 N ATOM 561 CA ILE A 42 0.423 -1.205 -1.815 1.00 0.00 C ATOM 562 C ILE A 42 1.648 -0.872 -0.971 1.00 0.00 C ATOM 563 O ILE A 42 1.783 -1.341 0.160 1.00 0.00 O ATOM 564 CB ILE A 42 -0.686 -0.177 -1.520 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.868 -0.383 -2.468 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.142 1.238 -1.643 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.910 -1.342 -1.935 1.00 0.00 C ATOM 0 H ILE A 42 -0.219 -2.777 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 42 0.687 -1.149 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.035 -0.324 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.339 0.580 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.497 -0.756 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.937 1.953 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.671 1.378 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.230 1.398 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.719 -1.440 -2.659 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.454 -2.318 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.309 -0.960 -0.995 1.00 0.00 H new ATOM 579 N THR A 43 2.539 -0.056 -1.526 1.00 0.00 N ATOM 580 CA THR A 43 3.753 0.341 -0.824 1.00 0.00 C ATOM 581 C THR A 43 3.826 1.855 -0.665 1.00 0.00 C ATOM 582 O THR A 43 3.124 2.595 -1.353 1.00 0.00 O ATOM 583 CB THR A 43 5.014 -0.148 -1.561 1.00 0.00 C ATOM 584 OG1 THR A 43 5.050 0.399 -2.884 1.00 0.00 O ATOM 585 CG2 THR A 43 5.044 -1.667 -1.634 1.00 0.00 C ATOM 0 H THR A 43 2.442 0.343 -2.460 1.00 0.00 H new ATOM 0 HA THR A 43 3.714 -0.124 0.161 1.00 0.00 H new ATOM 0 HB THR A 43 5.888 0.190 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.523 1.257 -2.870 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.944 -1.988 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.045 -2.080 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.164 -2.023 -2.170 1.00 0.00 H new ATOM 593 N ASN A 44 4.680 2.309 0.247 1.00 0.00 N ATOM 594 CA ASN A 44 4.844 3.737 0.496 1.00 0.00 C ATOM 595 C ASN A 44 3.503 4.391 0.816 1.00 0.00 C ATOM 596 O ASN A 44 3.146 5.416 0.233 1.00 0.00 O ATOM 597 CB ASN A 44 5.479 4.418 -0.718 1.00 0.00 C ATOM 598 CG ASN A 44 6.674 3.652 -1.251 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.570 2.927 -2.241 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.818 3.808 -0.595 1.00 0.00 N ATOM 0 H ASN A 44 5.269 1.709 0.825 1.00 0.00 H new ATOM 0 HA ASN A 44 5.502 3.857 1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.733 4.517 -1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.790 5.426 -0.444 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.656 3.317 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.859 4.419 0.221 1.00 0.00 H new ATOM 607 N ILE A 45 2.766 3.793 1.746 1.00 0.00 N ATOM 608 CA ILE A 45 1.466 4.318 2.144 1.00 0.00 C ATOM 609 C ILE A 45 1.616 5.436 3.170 1.00 0.00 C ATOM 610 O ILE A 45 1.959 5.189 4.326 1.00 0.00 O ATOM 611 CB ILE A 45 0.569 3.213 2.734 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.232 2.175 1.662 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.701 3.816 3.314 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.543 0.989 2.192 1.00 0.00 C ATOM 0 H ILE A 45 3.047 2.945 2.238 1.00 0.00 H new ATOM 0 HA ILE A 45 0.996 4.714 1.244 1.00 0.00 H new ATOM 0 HB ILE A 45 1.111 2.715 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.348 2.654 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.157 1.821 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.325 3.023 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.441 4.522 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.249 4.336 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.747 0.294 1.377 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.043 0.485 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.485 1.332 2.621 1.00 0.00 H new ATOM 626 N GLU A 46 1.355 6.666 2.739 1.00 0.00 N ATOM 627 CA GLU A 46 1.461 7.822 3.621 1.00 0.00 C ATOM 628 C GLU A 46 0.100 8.183 4.211 1.00 0.00 C ATOM 629 O GLU A 46 -0.761 8.730 3.523 1.00 0.00 O ATOM 630 CB GLU A 46 2.033 9.021 2.862 1.00 0.00 C ATOM 631 CG GLU A 46 3.548 9.114 2.925 1.00 0.00 C ATOM 632 CD GLU A 46 4.232 8.177 1.949 1.00 0.00 C ATOM 633 OE1 GLU A 46 4.445 7.000 2.308 1.00 0.00 O ATOM 634 OE2 GLU A 46 4.554 8.619 0.826 1.00 0.00 O ATOM 0 H GLU A 46 1.069 6.887 1.785 1.00 0.00 H new ATOM 0 HA GLU A 46 2.135 7.562 4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.724 8.961 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.604 9.937 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.854 10.139 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.880 8.884 3.937 1.00 0.00 H new ATOM 641 N MET A 47 -0.085 7.871 5.490 1.00 0.00 N ATOM 642 CA MET A 47 -1.341 8.162 6.172 1.00 0.00 C ATOM 643 C MET A 47 -1.498 9.661 6.404 1.00 0.00 C ATOM 644 O MET A 47 -0.905 10.222 7.326 1.00 0.00 O ATOM 645 CB MET A 47 -1.404 7.418 7.508 1.00 0.00 C ATOM 646 CG MET A 47 -1.293 5.908 7.368 1.00 0.00 C ATOM 647 SD MET A 47 -0.961 5.088 8.940 1.00 0.00 S ATOM 648 CE MET A 47 -1.771 3.512 8.677 1.00 0.00 C ATOM 0 H MET A 47 0.618 7.417 6.074 1.00 0.00 H new ATOM 0 HA MET A 47 -2.159 7.823 5.536 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.600 7.775 8.152 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.343 7.661 8.006 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.219 5.517 6.947 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.497 5.670 6.663 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.159 3.139 9.625 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.594 3.639 7.973 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.054 2.798 8.272 1.00 0.00 H new ATOM 658 N ILE A 48 -2.301 10.304 5.563 1.00 0.00 N ATOM 659 CA ILE A 48 -2.536 11.738 5.678 1.00 0.00 C ATOM 660 C ILE A 48 -3.592 12.039 6.736 1.00 0.00 C ATOM 661 O ILE A 48 -3.318 12.718 7.726 1.00 0.00 O ATOM 662 CB ILE A 48 -2.984 12.344 4.335 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.904 12.137 3.271 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.297 13.824 4.500 1.00 0.00 C ATOM 665 CD1 ILE A 48 -2.098 10.883 2.449 1.00 0.00 C ATOM 0 H ILE A 48 -2.800 9.855 4.795 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.589 12.190 5.974 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.891 11.835 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.891 13.000 2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.929 12.096 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.612 14.238 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.097 13.948 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.406 14.348 4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.296 10.801 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.081 10.012 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.057 10.930 1.934 1.00 0.00 H new ATOM 677 N ASP A 49 -4.799 11.528 6.522 1.00 0.00 N ATOM 678 CA ASP A 49 -5.897 11.739 7.459 1.00 0.00 C ATOM 679 C ASP A 49 -6.418 10.408 7.993 1.00 0.00 C ATOM 680 O ASP A 49 -5.859 9.350 7.705 1.00 0.00 O ATOM 681 CB ASP A 49 -7.031 12.511 6.783 1.00 0.00 C ATOM 682 CG ASP A 49 -7.815 13.362 7.762 1.00 0.00 C ATOM 683 OD1 ASP A 49 -8.792 12.848 8.346 1.00 0.00 O ATOM 684 OD2 ASP A 49 -7.452 14.543 7.945 1.00 0.00 O ATOM 0 H ASP A 49 -5.043 10.964 5.708 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.520 12.324 8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.617 13.149 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.706 11.807 6.296 1.00 0.00 H new ATOM 689 N ASP A 50 -7.492 10.470 8.773 1.00 0.00 N ATOM 690 CA ASP A 50 -8.089 9.271 9.349 1.00 0.00 C ATOM 691 C ASP A 50 -9.227 8.757 8.473 1.00 0.00 C ATOM 692 O ASP A 50 -10.233 8.258 8.975 1.00 0.00 O ATOM 693 CB ASP A 50 -8.604 9.558 10.760 1.00 0.00 C ATOM 694 CG ASP A 50 -7.555 9.301 11.823 1.00 0.00 C ATOM 695 OD1 ASP A 50 -6.438 9.845 11.698 1.00 0.00 O ATOM 696 OD2 ASP A 50 -7.850 8.554 12.780 1.00 0.00 O ATOM 0 H ASP A 50 -7.967 11.338 9.021 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.319 8.501 9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.931 10.596 10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.477 8.937 10.958 1.00 0.00 H new ATOM 701 N GLY A 51 -9.060 8.883 7.160 1.00 0.00 N ATOM 702 CA GLY A 51 -10.082 8.428 6.235 1.00 0.00 C ATOM 703 C GLY A 51 -9.515 8.066 4.877 1.00 0.00 C ATOM 704 O GLY A 51 -9.929 7.080 4.267 1.00 0.00 O ATOM 0 H GLY A 51 -8.235 9.292 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.589 7.560 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.833 9.209 6.115 1.00 0.00 H new ATOM 708 N TRP A 52 -8.567 8.865 4.401 1.00 0.00 N ATOM 709 CA TRP A 52 -7.944 8.624 3.105 1.00 0.00 C ATOM 710 C TRP A 52 -6.423 8.644 3.220 1.00 0.00 C ATOM 711 O TRP A 52 -5.864 9.367 4.045 1.00 0.00 O ATOM 712 CB TRP A 52 -8.405 9.673 2.091 1.00 0.00 C ATOM 713 CG TRP A 52 -9.870 9.599 1.786 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.901 9.831 2.651 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.467 9.269 0.527 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.103 9.665 2.006 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.864 9.321 0.702 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.959 8.936 -0.731 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.755 9.052 -0.334 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.844 8.669 -1.758 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.229 8.728 -1.555 1.00 0.00 C ATOM 0 H TRP A 52 -8.213 9.685 4.893 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.251 7.637 2.760 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.170 10.666 2.474 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.842 9.547 1.166 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.788 10.105 3.690 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -13.024 9.779 2.430 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.893 8.888 -0.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.823 9.097 -0.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.461 8.410 -2.734 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.894 8.514 -2.378 1.00 0.00 H new ATOM 732 N TRP A 53 -5.761 7.848 2.388 1.00 0.00 N ATOM 733 CA TRP A 53 -4.305 7.776 2.397 1.00 0.00 C ATOM 734 C TRP A 53 -3.746 7.864 0.981 1.00 0.00 C ATOM 735 O TRP A 53 -4.475 7.685 0.005 1.00 0.00 O ATOM 736 CB TRP A 53 -3.842 6.478 3.062 1.00 0.00 C ATOM 737 CG TRP A 53 -4.298 6.343 4.483 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.453 7.350 5.393 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.656 5.132 5.157 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.886 6.837 6.592 1.00 0.00 N ATOM 741 CE2 TRP A 53 -5.019 5.478 6.473 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.707 3.788 4.776 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.425 4.530 7.407 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -5.111 2.847 5.705 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.466 3.222 7.007 1.00 0.00 C ATOM 0 H TRP A 53 -6.209 7.244 1.699 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.928 8.624 2.969 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.214 5.631 2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.753 6.431 3.031 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.263 8.395 5.199 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.077 7.380 7.434 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.436 3.490 3.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.698 4.816 8.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.154 1.806 5.422 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.778 2.463 7.709 1.00 0.00 H new ATOM 756 N ARG A 54 -2.450 8.140 0.877 1.00 0.00 N ATOM 757 CA ARG A 54 -1.796 8.252 -0.421 1.00 0.00 C ATOM 758 C ARG A 54 -0.591 7.319 -0.504 1.00 0.00 C ATOM 759 O ARG A 54 0.342 7.422 0.291 1.00 0.00 O ATOM 760 CB ARG A 54 -1.355 9.695 -0.671 1.00 0.00 C ATOM 761 CG ARG A 54 -2.468 10.590 -1.194 1.00 0.00 C ATOM 762 CD ARG A 54 -1.996 12.026 -1.361 1.00 0.00 C ATOM 763 NE ARG A 54 -2.707 12.714 -2.435 1.00 0.00 N ATOM 764 CZ ARG A 54 -2.823 14.035 -2.511 1.00 0.00 C ATOM 765 NH1 ARG A 54 -2.278 14.806 -1.580 1.00 0.00 N ATOM 766 NH2 ARG A 54 -3.486 14.587 -3.519 1.00 0.00 N ATOM 0 H ARG A 54 -1.833 8.290 1.675 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.514 7.961 -1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.969 10.114 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.533 9.696 -1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.823 10.209 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.313 10.561 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.141 12.566 -0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.926 12.034 -1.571 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.138 12.149 -3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.768 14.385 -0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.368 15.820 -1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.907 13.997 -4.236 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.575 15.602 -3.576 1.00 0.00 H new ATOM 780 N GLY A 55 -0.618 6.410 -1.474 1.00 0.00 N ATOM 781 CA GLY A 55 0.477 5.472 -1.642 1.00 0.00 C ATOM 782 C GLY A 55 0.771 5.181 -3.101 1.00 0.00 C ATOM 783 O GLY A 55 0.000 5.556 -3.984 1.00 0.00 O ATOM 0 H GLY A 55 -1.378 6.306 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.372 5.874 -1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.235 4.540 -1.130 1.00 0.00 H new ATOM 787 N VAL A 56 1.892 4.513 -3.355 1.00 0.00 N ATOM 788 CA VAL A 56 2.287 4.173 -4.716 1.00 0.00 C ATOM 789 C VAL A 56 1.798 2.781 -5.099 1.00 0.00 C ATOM 790 O VAL A 56 2.355 1.773 -4.661 1.00 0.00 O ATOM 791 CB VAL A 56 3.817 4.232 -4.888 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.208 3.881 -6.315 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.343 5.607 -4.504 1.00 0.00 C ATOM 0 H VAL A 56 2.542 4.197 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 56 1.826 4.911 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 56 4.269 3.497 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.292 3.928 -6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.865 2.873 -6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.748 4.590 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.425 5.631 -4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.886 6.363 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.096 5.813 -3.463 1.00 0.00 H new ATOM 803 N CYS A 57 0.753 2.732 -5.918 1.00 0.00 N ATOM 804 CA CYS A 57 0.187 1.462 -6.361 1.00 0.00 C ATOM 805 C CYS A 57 0.333 1.298 -7.870 1.00 0.00 C ATOM 806 O CYS A 57 -0.014 2.195 -8.639 1.00 0.00 O ATOM 807 CB CYS A 57 -1.287 1.372 -5.966 1.00 0.00 C ATOM 808 SG CYS A 57 -2.403 2.271 -7.069 1.00 0.00 S ATOM 0 H CYS A 57 0.280 3.556 -6.289 1.00 0.00 H new ATOM 0 HA CYS A 57 0.736 0.657 -5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.583 0.323 -5.944 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.405 1.758 -4.954 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.776 2.576 -8.166 1.00 0.00 H new ATOM 814 N LYS A 58 0.851 0.148 -8.288 1.00 0.00 N ATOM 815 CA LYS A 58 1.044 -0.134 -9.705 1.00 0.00 C ATOM 816 C LYS A 58 1.629 1.076 -10.426 1.00 0.00 C ATOM 817 O LYS A 58 1.235 1.391 -11.549 1.00 0.00 O ATOM 818 CB LYS A 58 -0.284 -0.535 -10.352 1.00 0.00 C ATOM 819 CG LYS A 58 -0.902 -1.784 -9.749 1.00 0.00 C ATOM 820 CD LYS A 58 -2.305 -2.024 -10.279 1.00 0.00 C ATOM 821 CE LYS A 58 -2.279 -2.596 -11.687 1.00 0.00 C ATOM 822 NZ LYS A 58 -2.148 -4.080 -11.681 1.00 0.00 N ATOM 0 H LYS A 58 1.145 -0.604 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 58 1.748 -0.962 -9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.989 0.291 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.125 -0.697 -11.418 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.275 -2.646 -9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.934 -1.688 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.833 -2.710 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.861 -1.087 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.193 -2.314 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.447 -2.160 -12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.134 -4.431 -12.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.264 -4.349 -11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.955 -4.498 -11.175 1.00 0.00 H new ATOM 836 N GLY A 59 2.572 1.750 -9.774 1.00 0.00 N ATOM 837 CA GLY A 59 3.196 2.916 -10.370 1.00 0.00 C ATOM 838 C GLY A 59 2.255 4.102 -10.446 1.00 0.00 C ATOM 839 O GLY A 59 2.225 4.816 -11.449 1.00 0.00 O ATOM 0 H GLY A 59 2.914 1.509 -8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.076 3.191 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.542 2.666 -11.373 1.00 0.00 H new ATOM 843 N ARG A 60 1.482 4.312 -9.385 1.00 0.00 N ATOM 844 CA ARG A 60 0.533 5.417 -9.338 1.00 0.00 C ATOM 845 C ARG A 60 0.333 5.900 -7.904 1.00 0.00 C ATOM 846 O ARG A 60 -0.045 5.126 -7.025 1.00 0.00 O ATOM 847 CB ARG A 60 -0.809 4.992 -9.936 1.00 0.00 C ATOM 848 CG ARG A 60 -0.916 5.243 -11.431 1.00 0.00 C ATOM 849 CD ARG A 60 -2.351 5.529 -11.846 1.00 0.00 C ATOM 850 NE ARG A 60 -2.624 5.087 -13.211 1.00 0.00 N ATOM 851 CZ ARG A 60 -2.785 3.814 -13.553 1.00 0.00 C ATOM 852 NH1 ARG A 60 -2.701 2.861 -12.635 1.00 0.00 N ATOM 853 NH2 ARG A 60 -3.031 3.491 -14.817 1.00 0.00 N ATOM 0 H ARG A 60 1.495 3.731 -8.547 1.00 0.00 H new ATOM 0 HA ARG A 60 0.941 6.238 -9.927 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.964 3.931 -9.742 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.610 5.529 -9.428 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.282 6.086 -11.706 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.545 4.374 -11.975 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.034 5.028 -11.159 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.545 6.598 -11.765 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.695 5.795 -13.942 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.512 3.105 -11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.825 1.884 -12.901 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.096 4.221 -15.526 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.154 2.513 -15.079 1.00 0.00 H new ATOM 867 N TYR A 61 0.588 7.184 -7.677 1.00 0.00 N ATOM 868 CA TYR A 61 0.439 7.769 -6.350 1.00 0.00 C ATOM 869 C TYR A 61 -0.712 8.770 -6.323 1.00 0.00 C ATOM 870 O TYR A 61 -0.663 9.809 -6.981 1.00 0.00 O ATOM 871 CB TYR A 61 1.737 8.457 -5.924 1.00 0.00 C ATOM 872 CG TYR A 61 1.601 9.281 -4.664 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.813 8.714 -3.413 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.261 10.627 -4.724 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.688 9.464 -2.259 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.136 11.384 -3.576 1.00 0.00 C ATOM 877 CZ TYR A 61 1.350 10.798 -2.346 1.00 0.00 C ATOM 878 OH TYR A 61 1.226 11.548 -1.199 1.00 0.00 O ATOM 0 H TYR A 61 0.899 7.839 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 61 0.215 6.965 -5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.506 7.700 -5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.080 9.101 -6.734 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.080 7.670 -3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.092 11.089 -5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.854 9.008 -1.294 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.872 12.429 -3.641 1.00 0.00 H new ATOM 0 HH TYR A 61 1.143 12.496 -1.435 1.00 0.00 H new ATOM 888 N GLY A 62 -1.749 8.449 -5.555 1.00 0.00 N ATOM 889 CA GLY A 62 -2.898 9.329 -5.454 1.00 0.00 C ATOM 890 C GLY A 62 -3.694 9.102 -4.184 1.00 0.00 C ATOM 891 O GLY A 62 -3.295 8.313 -3.326 1.00 0.00 O ATOM 0 H GLY A 62 -1.813 7.595 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.562 10.365 -5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.546 9.176 -6.317 1.00 0.00 H new ATOM 895 N LEU A 63 -4.820 9.794 -4.062 1.00 0.00 N ATOM 896 CA LEU A 63 -5.674 9.665 -2.886 1.00 0.00 C ATOM 897 C LEU A 63 -6.551 8.421 -2.983 1.00 0.00 C ATOM 898 O LEU A 63 -7.066 8.094 -4.052 1.00 0.00 O ATOM 899 CB LEU A 63 -6.550 10.909 -2.728 1.00 0.00 C ATOM 900 CG LEU A 63 -5.922 12.081 -1.973 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.606 13.386 -2.349 1.00 0.00 C ATOM 902 CD2 LEU A 63 -5.998 11.850 -0.471 1.00 0.00 C ATOM 0 H LEU A 63 -5.164 10.451 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.032 9.567 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.838 11.255 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.466 10.620 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.872 12.150 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.146 14.209 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.499 13.558 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.664 13.328 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.546 12.694 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.041 11.754 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.461 10.936 -0.216 1.00 0.00 H new ATOM 914 N PHE A 64 -6.717 7.731 -1.859 1.00 0.00 N ATOM 915 CA PHE A 64 -7.533 6.523 -1.818 1.00 0.00 C ATOM 916 C PHE A 64 -8.116 6.309 -0.424 1.00 0.00 C ATOM 917 O PHE A 64 -7.476 6.578 0.593 1.00 0.00 O ATOM 918 CB PHE A 64 -6.701 5.306 -2.228 1.00 0.00 C ATOM 919 CG PHE A 64 -5.659 4.924 -1.216 1.00 0.00 C ATOM 920 CD1 PHE A 64 -5.983 4.113 -0.140 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.355 5.376 -1.341 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.026 3.761 0.792 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.393 5.026 -0.411 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.729 4.217 0.656 1.00 0.00 C ATOM 0 H PHE A 64 -6.298 7.988 -0.965 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.356 6.645 -2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.367 4.458 -2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.213 5.514 -3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.995 3.752 -0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.087 6.009 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.292 3.129 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.380 5.385 -0.519 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.979 3.941 1.383 1.00 0.00 H new ATOM 934 N PRO A 65 -9.361 5.812 -0.374 1.00 0.00 N ATOM 935 CA PRO A 65 -10.059 5.550 0.888 1.00 0.00 C ATOM 936 C PRO A 65 -9.455 4.376 1.651 1.00 0.00 C ATOM 937 O PRO A 65 -9.183 3.324 1.075 1.00 0.00 O ATOM 938 CB PRO A 65 -11.486 5.222 0.443 1.00 0.00 C ATOM 939 CG PRO A 65 -11.341 4.716 -0.951 1.00 0.00 C ATOM 940 CD PRO A 65 -10.184 5.468 -1.546 1.00 0.00 C ATOM 0 HA PRO A 65 -9.996 6.396 1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.940 4.473 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.125 6.104 0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.154 3.642 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.253 4.885 -1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.632 4.856 -2.259 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.516 6.359 -2.080 1.00 0.00 H new ATOM 948 N ALA A 66 -9.250 4.564 2.951 1.00 0.00 N ATOM 949 CA ALA A 66 -8.681 3.520 3.793 1.00 0.00 C ATOM 950 C ALA A 66 -9.721 2.456 4.128 1.00 0.00 C ATOM 951 O ALA A 66 -9.407 1.439 4.744 1.00 0.00 O ATOM 952 CB ALA A 66 -8.110 4.122 5.069 1.00 0.00 C ATOM 0 H ALA A 66 -9.470 5.430 3.443 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.875 3.041 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.688 3.330 5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.329 4.839 4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.903 4.629 5.619 1.00 0.00 H new ATOM 958 N ASN A 67 -10.962 2.700 3.718 1.00 0.00 N ATOM 959 CA ASN A 67 -12.050 1.763 3.975 1.00 0.00 C ATOM 960 C ASN A 67 -11.983 0.575 3.020 1.00 0.00 C ATOM 961 O ASN A 67 -12.328 -0.549 3.385 1.00 0.00 O ATOM 962 CB ASN A 67 -13.401 2.467 3.837 1.00 0.00 C ATOM 963 CG ASN A 67 -13.448 3.780 4.594 1.00 0.00 C ATOM 964 OD1 ASN A 67 -13.424 3.801 5.825 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.517 4.885 3.860 1.00 0.00 N ATOM 0 H ASN A 67 -11.239 3.538 3.207 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.943 1.393 4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.606 2.651 2.782 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.189 1.810 4.205 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.552 5.798 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.535 4.821 2.842 1.00 0.00 H new ATOM 972 N TYR A 68 -11.536 0.832 1.796 1.00 0.00 N ATOM 973 CA TYR A 68 -11.425 -0.214 0.787 1.00 0.00 C ATOM 974 C TYR A 68 -10.091 -0.945 0.904 1.00 0.00 C ATOM 975 O TYR A 68 -9.715 -1.721 0.026 1.00 0.00 O ATOM 976 CB TYR A 68 -11.571 0.381 -0.614 1.00 0.00 C ATOM 977 CG TYR A 68 -13.008 0.611 -1.028 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.719 1.707 -0.557 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.653 -0.270 -1.887 1.00 0.00 C ATOM 980 CE1 TYR A 68 -15.032 1.921 -0.932 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.965 -0.063 -2.268 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.650 1.033 -1.787 1.00 0.00 C ATOM 983 OH TYR A 68 -16.957 1.241 -2.163 1.00 0.00 O ATOM 0 H TYR A 68 -11.244 1.756 1.479 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.228 -0.931 0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.034 1.329 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.097 -0.286 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.238 2.404 0.113 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.120 -1.131 -2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.571 2.779 -0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.451 -0.756 -2.939 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.241 0.525 -2.769 1.00 0.00 H new ATOM 993 N VAL A 69 -9.378 -0.691 1.998 1.00 0.00 N ATOM 994 CA VAL A 69 -8.087 -1.325 2.233 1.00 0.00 C ATOM 995 C VAL A 69 -7.915 -1.692 3.702 1.00 0.00 C ATOM 996 O VAL A 69 -8.673 -1.238 4.559 1.00 0.00 O ATOM 997 CB VAL A 69 -6.925 -0.407 1.805 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.136 0.094 0.385 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.781 0.756 2.774 1.00 0.00 C ATOM 0 H VAL A 69 -9.674 -0.051 2.735 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.065 -2.233 1.630 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.001 -0.985 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.306 0.740 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.185 -0.755 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.068 0.656 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.956 1.394 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.704 1.336 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.580 0.373 3.774 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.912 -2.518 3.987 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.641 -2.947 5.354 1.00 0.00 C ATOM 1011 C GLU A 70 -5.140 -2.990 5.623 1.00 0.00 C ATOM 1012 O GLU A 70 -4.394 -3.688 4.935 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.256 -4.324 5.611 1.00 0.00 C ATOM 1014 CG GLU A 70 -7.083 -4.811 7.040 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.072 -6.324 7.144 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -7.803 -6.977 6.371 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -6.330 -6.854 7.998 1.00 0.00 O ATOM 0 H GLU A 70 -6.275 -2.903 3.290 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.093 -2.223 6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.319 -4.287 5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.803 -5.047 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.151 -4.416 7.444 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.891 -4.414 7.655 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.703 -2.239 6.628 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.291 -2.190 6.989 1.00 0.00 C ATOM 1026 C LEU A 71 -2.748 -3.591 7.255 1.00 0.00 C ATOM 1027 O LEU A 71 -3.452 -4.450 7.787 1.00 0.00 O ATOM 1028 CB LEU A 71 -3.090 -1.310 8.224 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.355 0.184 8.034 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.502 0.875 9.380 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.239 0.824 7.222 1.00 0.00 C ATOM 0 H LEU A 71 -5.307 -1.656 7.207 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.742 -1.760 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.742 -1.676 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.065 -1.435 8.572 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.289 0.301 7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.690 1.937 9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.336 0.435 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.585 0.749 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.444 1.887 7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.290 0.696 7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.182 0.348 6.243 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.491 -3.813 6.884 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.853 -5.109 7.083 1.00 0.00 C ATOM 1045 C ARG A 72 0.108 -5.065 8.267 1.00 0.00 C ATOM 1046 O ARG A 72 0.679 -4.020 8.576 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.103 -5.532 5.818 1.00 0.00 C ATOM 1048 CG ARG A 72 -0.989 -6.204 4.782 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.169 -6.767 3.631 1.00 0.00 C ATOM 1050 NE ARG A 72 0.649 -7.904 4.045 1.00 0.00 N ATOM 1051 CZ ARG A 72 1.750 -8.287 3.410 1.00 0.00 C ATOM 1052 NH1 ARG A 72 2.163 -7.628 2.336 1.00 0.00 N ATOM 1053 NH2 ARG A 72 2.441 -9.331 3.848 1.00 0.00 N ATOM 0 H ARG A 72 -0.894 -3.112 6.444 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.632 -5.841 7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.363 -4.654 5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.701 -6.214 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.557 -7.006 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.712 -5.484 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.837 -7.075 2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.475 -5.985 3.228 1.00 0.00 H new ATOM 0 HE ARG A 72 0.358 -8.433 4.867 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.634 -6.825 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.009 -7.924 1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.127 -9.841 4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.287 -9.624 3.359 1.00 0.00 H new