USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 528 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 38 GLN : amide:sc= -2.95 K(o=-9.1,f=-10!) USER MOD Set 1.2: A 77 MET CE :methyl 152:sc= -6.17! (180deg=-4.8!) USER MOD Single : A 17 THR OG1 : rot 23:sc= 0.147 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.231 USER MOD Single : A 44 ASN : amide:sc= -0.666 X(o=-0.67,f=-1.1) USER MOD Single : A 45 THR OG1 : rot -149:sc= 0.0333 USER MOD Single : A 46 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-3.1!) USER MOD Single : A 47 MET CE :methyl 136:sc= -0.295 (180deg=-0.839) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.551 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00584) USER MOD Single : A 90 ASN : amide:sc= -1.78 X(o=-1.8,f=-1.8) USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= -0.856 (180deg=-2.46) USER MOD ----------------------------------------------------------------- ATOM 202 N THR A 17 3.336 4.419 1.362 1.00 0.00 N ATOM 203 CA THR A 17 3.936 3.183 1.850 1.00 0.00 C ATOM 204 C THR A 17 3.017 2.481 2.843 1.00 0.00 C ATOM 205 O THR A 17 2.175 3.114 3.479 1.00 0.00 O ATOM 206 CB THR A 17 5.296 3.447 2.524 1.00 0.00 C ATOM 207 OG1 THR A 17 6.135 4.212 1.651 1.00 0.00 O ATOM 208 CG2 THR A 17 5.986 2.139 2.880 1.00 0.00 C ATOM 0 HA THR A 17 4.087 2.541 0.983 1.00 0.00 H new ATOM 0 HB THR A 17 5.119 4.008 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.580 4.695 1.004 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.944 2.351 3.355 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.358 1.572 3.567 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.151 1.556 1.974 1.00 0.00 H new ATOM 216 N VAL A 18 3.186 1.168 2.972 1.00 0.00 N ATOM 217 CA VAL A 18 2.372 0.380 3.890 1.00 0.00 C ATOM 218 C VAL A 18 3.213 -0.166 5.039 1.00 0.00 C ATOM 219 O VAL A 18 4.411 -0.404 4.886 1.00 0.00 O ATOM 220 CB VAL A 18 1.688 -0.795 3.166 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.200 -0.363 1.791 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.637 -1.978 3.056 1.00 0.00 C ATOM 0 H VAL A 18 3.879 0.629 2.453 1.00 0.00 H new ATOM 0 HA VAL A 18 1.607 1.047 4.288 1.00 0.00 H new ATOM 0 HB VAL A 18 0.823 -1.106 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.720 -1.206 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.484 0.451 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.047 -0.025 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.137 -2.799 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.523 -1.683 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.933 -2.301 4.054 1.00 0.00 H new ATOM 232 N TYR A 19 2.577 -0.362 6.188 1.00 0.00 N ATOM 233 CA TYR A 19 3.266 -0.879 7.365 1.00 0.00 C ATOM 234 C TYR A 19 2.976 -2.364 7.558 1.00 0.00 C ATOM 235 O TYR A 19 1.908 -2.743 8.039 1.00 0.00 O ATOM 236 CB TYR A 19 2.845 -0.099 8.612 1.00 0.00 C ATOM 237 CG TYR A 19 3.739 -0.341 9.807 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.901 -1.618 10.331 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.420 0.707 10.414 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.716 -1.844 11.423 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.238 0.490 11.506 1.00 0.00 C ATOM 242 CZ TYR A 19 5.382 -0.787 12.007 1.00 0.00 C ATOM 243 OH TYR A 19 6.195 -1.007 13.096 1.00 0.00 O ATOM 0 H TYR A 19 1.585 -0.171 6.330 1.00 0.00 H new ATOM 0 HA TYR A 19 4.338 -0.754 7.211 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.842 0.966 8.381 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.822 -0.371 8.873 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.381 -2.448 9.876 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.308 1.708 10.025 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.831 -2.843 11.817 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.762 1.316 11.965 1.00 0.00 H new ATOM 0 HH TYR A 19 6.590 -0.158 13.386 1.00 0.00 H new ATOM 253 N VAL A 20 3.936 -3.202 7.179 1.00 0.00 N ATOM 254 CA VAL A 20 3.787 -4.646 7.312 1.00 0.00 C ATOM 255 C VAL A 20 4.427 -5.149 8.600 1.00 0.00 C ATOM 256 O VAL A 20 5.615 -4.935 8.840 1.00 0.00 O ATOM 257 CB VAL A 20 4.414 -5.388 6.116 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.183 -6.886 6.236 1.00 0.00 C ATOM 259 CG2 VAL A 20 3.852 -4.857 4.806 1.00 0.00 C ATOM 0 H VAL A 20 4.825 -2.905 6.777 1.00 0.00 H new ATOM 0 HA VAL A 20 2.717 -4.852 7.337 1.00 0.00 H new ATOM 0 HB VAL A 20 5.489 -5.209 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.633 -7.393 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.638 -7.252 7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.112 -7.089 6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.306 -5.392 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.772 -5.004 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.075 -3.794 4.719 1.00 0.00 H new ATOM 269 N GLY A 21 3.632 -5.820 9.428 1.00 0.00 N ATOM 270 CA GLY A 21 4.139 -6.344 10.683 1.00 0.00 C ATOM 271 C GLY A 21 3.608 -7.731 10.989 1.00 0.00 C ATOM 272 O GLY A 21 2.418 -7.904 11.248 1.00 0.00 O ATOM 0 H GLY A 21 2.645 -6.010 9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.228 -6.375 10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.866 -5.667 11.493 1.00 0.00 H new ATOM 276 N GLY A 22 4.494 -8.722 10.957 1.00 0.00 N ATOM 277 CA GLY A 22 4.089 -10.088 11.233 1.00 0.00 C ATOM 278 C GLY A 22 4.391 -11.027 10.082 1.00 0.00 C ATOM 279 O GLY A 22 3.544 -11.829 9.687 1.00 0.00 O ATOM 0 H GLY A 22 5.485 -8.603 10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.600 -10.441 12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.020 -10.111 11.445 1.00 0.00 H new ATOM 283 N LEU A 23 5.600 -10.926 9.541 1.00 0.00 N ATOM 284 CA LEU A 23 6.012 -11.772 8.427 1.00 0.00 C ATOM 285 C LEU A 23 6.759 -13.005 8.926 1.00 0.00 C ATOM 286 O LEU A 23 7.298 -13.011 10.033 1.00 0.00 O ATOM 287 CB LEU A 23 6.897 -10.982 7.461 1.00 0.00 C ATOM 288 CG LEU A 23 6.309 -9.676 6.927 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.399 -8.810 6.316 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.216 -9.961 5.907 1.00 0.00 C ATOM 0 H LEU A 23 6.312 -10.267 9.856 1.00 0.00 H new ATOM 0 HA LEU A 23 5.115 -12.101 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.837 -10.755 7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.136 -11.623 6.612 1.00 0.00 H new ATOM 0 HG LEU A 23 5.867 -9.131 7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.961 -7.885 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.146 -8.577 7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.872 -9.347 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.809 -9.020 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.634 -10.527 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.421 -10.540 6.377 1.00 0.00 H new ATOM 302 N ASP A 24 6.788 -14.047 8.102 1.00 0.00 N ATOM 303 CA ASP A 24 7.472 -15.284 8.458 1.00 0.00 C ATOM 304 C ASP A 24 8.874 -15.323 7.857 1.00 0.00 C ATOM 305 O ASP A 24 9.135 -14.704 6.826 1.00 0.00 O ATOM 306 CB ASP A 24 6.666 -16.493 7.980 1.00 0.00 C ATOM 307 CG ASP A 24 7.248 -17.806 8.465 1.00 0.00 C ATOM 308 OD1 ASP A 24 6.996 -18.172 9.632 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.956 -18.468 7.677 1.00 0.00 O ATOM 0 H ASP A 24 6.346 -14.059 7.183 1.00 0.00 H new ATOM 0 HA ASP A 24 7.560 -15.321 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.638 -16.403 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.631 -16.495 6.891 1.00 0.00 H new ATOM 314 N GLU A 25 9.773 -16.053 8.511 1.00 0.00 N ATOM 315 CA GLU A 25 11.148 -16.170 8.042 1.00 0.00 C ATOM 316 C GLU A 25 11.195 -16.313 6.523 1.00 0.00 C ATOM 317 O GLU A 25 12.025 -15.695 5.855 1.00 0.00 O ATOM 318 CB GLU A 25 11.835 -17.369 8.699 1.00 0.00 C ATOM 319 CG GLU A 25 11.150 -18.695 8.413 1.00 0.00 C ATOM 320 CD GLU A 25 11.616 -19.804 9.336 1.00 0.00 C ATOM 321 OE1 GLU A 25 12.845 -19.978 9.479 1.00 0.00 O ATOM 322 OE2 GLU A 25 10.754 -20.496 9.915 1.00 0.00 O ATOM 0 H GLU A 25 9.573 -16.572 9.366 1.00 0.00 H new ATOM 0 HA GLU A 25 11.678 -15.259 8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.867 -17.421 8.352 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.868 -17.212 9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.072 -18.572 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.342 -18.983 7.379 1.00 0.00 H new ATOM 329 N LYS A 26 10.299 -17.132 5.984 1.00 0.00 N ATOM 330 CA LYS A 26 10.235 -17.357 4.545 1.00 0.00 C ATOM 331 C LYS A 26 10.150 -16.035 3.790 1.00 0.00 C ATOM 332 O LYS A 26 10.968 -15.755 2.913 1.00 0.00 O ATOM 333 CB LYS A 26 9.029 -18.233 4.198 1.00 0.00 C ATOM 334 CG LYS A 26 9.336 -19.721 4.205 1.00 0.00 C ATOM 335 CD LYS A 26 8.069 -20.551 4.329 1.00 0.00 C ATOM 336 CE LYS A 26 7.484 -20.883 2.964 1.00 0.00 C ATOM 337 NZ LYS A 26 6.663 -22.124 3.000 1.00 0.00 N ATOM 0 H LYS A 26 9.606 -17.652 6.523 1.00 0.00 H new ATOM 0 HA LYS A 26 11.148 -17.870 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.228 -18.032 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.658 -17.952 3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.860 -19.990 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.006 -19.951 5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.288 -21.474 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.332 -20.006 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.870 -20.051 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.292 -21.003 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.282 -22.316 2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.255 -22.923 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.877 -22.001 3.670 1.00 0.00 H new ATOM 351 N VAL A 27 9.157 -15.222 4.139 1.00 0.00 N ATOM 352 CA VAL A 27 8.968 -13.928 3.496 1.00 0.00 C ATOM 353 C VAL A 27 10.305 -13.298 3.122 1.00 0.00 C ATOM 354 O VAL A 27 11.284 -13.413 3.859 1.00 0.00 O ATOM 355 CB VAL A 27 8.193 -12.957 4.407 1.00 0.00 C ATOM 356 CG1 VAL A 27 8.171 -11.561 3.804 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.779 -13.465 4.646 1.00 0.00 C ATOM 0 H VAL A 27 8.472 -15.437 4.863 1.00 0.00 H new ATOM 0 HA VAL A 27 8.389 -14.107 2.590 1.00 0.00 H new ATOM 0 HB VAL A 27 8.703 -12.903 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.619 -10.889 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.192 -11.198 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.686 -11.594 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.246 -12.767 5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.257 -13.549 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.820 -14.443 5.125 1.00 0.00 H new ATOM 367 N SER A 28 10.339 -12.633 1.972 1.00 0.00 N ATOM 368 CA SER A 28 11.557 -11.987 1.498 1.00 0.00 C ATOM 369 C SER A 28 11.261 -10.585 0.974 1.00 0.00 C ATOM 370 O SER A 28 10.102 -10.203 0.815 1.00 0.00 O ATOM 371 CB SER A 28 12.210 -12.827 0.398 1.00 0.00 C ATOM 372 OG SER A 28 13.599 -12.562 0.310 1.00 0.00 O ATOM 0 H SER A 28 9.537 -12.527 1.351 1.00 0.00 H new ATOM 0 HA SER A 28 12.245 -11.904 2.339 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.051 -13.886 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.734 -12.612 -0.559 1.00 0.00 H new ATOM 0 HG SER A 28 13.993 -13.112 -0.399 1.00 0.00 H new ATOM 378 N GLU A 29 12.318 -9.824 0.708 1.00 0.00 N ATOM 379 CA GLU A 29 12.171 -8.464 0.203 1.00 0.00 C ATOM 380 C GLU A 29 11.503 -8.462 -1.169 1.00 0.00 C ATOM 381 O GLU A 29 10.468 -7.830 -1.383 1.00 0.00 O ATOM 382 CB GLU A 29 13.536 -7.778 0.118 1.00 0.00 C ATOM 383 CG GLU A 29 13.898 -6.986 1.364 1.00 0.00 C ATOM 384 CD GLU A 29 15.392 -6.948 1.618 1.00 0.00 C ATOM 385 OE1 GLU A 29 16.106 -7.828 1.093 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.847 -6.038 2.342 1.00 0.00 O ATOM 0 H GLU A 29 13.284 -10.126 0.834 1.00 0.00 H new ATOM 0 HA GLU A 29 11.537 -7.913 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.302 -8.533 -0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.544 -7.109 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.524 -5.967 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.398 -7.425 2.227 1.00 0.00 H new ATOM 393 N PRO A 30 12.108 -9.186 -2.122 1.00 0.00 N ATOM 394 CA PRO A 30 11.590 -9.285 -3.490 1.00 0.00 C ATOM 395 C PRO A 30 10.297 -10.089 -3.564 1.00 0.00 C ATOM 396 O PRO A 30 9.760 -10.324 -4.647 1.00 0.00 O ATOM 397 CB PRO A 30 12.711 -10.006 -4.243 1.00 0.00 C ATOM 398 CG PRO A 30 13.431 -10.784 -3.196 1.00 0.00 C ATOM 399 CD PRO A 30 13.345 -9.965 -1.938 1.00 0.00 C ATOM 0 HA PRO A 30 11.341 -8.307 -3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.311 -10.660 -5.017 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.376 -9.297 -4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.975 -11.764 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.469 -10.954 -3.481 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.294 -10.596 -1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.214 -9.318 -1.820 1.00 0.00 H new ATOM 407 N LEU A 31 9.799 -10.507 -2.405 1.00 0.00 N ATOM 408 CA LEU A 31 8.567 -11.285 -2.338 1.00 0.00 C ATOM 409 C LEU A 31 7.352 -10.371 -2.210 1.00 0.00 C ATOM 410 O LEU A 31 6.384 -10.499 -2.961 1.00 0.00 O ATOM 411 CB LEU A 31 8.616 -12.255 -1.156 1.00 0.00 C ATOM 412 CG LEU A 31 7.354 -13.084 -0.914 1.00 0.00 C ATOM 413 CD1 LEU A 31 7.159 -14.097 -2.032 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.426 -13.783 0.435 1.00 0.00 C ATOM 0 H LEU A 31 10.229 -10.320 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 31 8.475 -11.854 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.452 -12.938 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.830 -11.684 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 31 6.496 -12.412 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.256 -14.678 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.062 -13.574 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.019 -14.765 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.520 -14.368 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.293 -14.444 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.517 -13.039 1.226 1.00 0.00 H new ATOM 426 N LEU A 32 7.411 -9.448 -1.257 1.00 0.00 N ATOM 427 CA LEU A 32 6.317 -8.510 -1.032 1.00 0.00 C ATOM 428 C LEU A 32 6.009 -7.719 -2.300 1.00 0.00 C ATOM 429 O LEU A 32 4.846 -7.474 -2.623 1.00 0.00 O ATOM 430 CB LEU A 32 6.666 -7.552 0.108 1.00 0.00 C ATOM 431 CG LEU A 32 7.262 -8.192 1.363 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.640 -7.124 2.378 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.283 -9.185 1.971 1.00 0.00 C ATOM 0 H LEU A 32 8.205 -9.329 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 32 5.431 -9.083 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.372 -6.812 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.762 -7.013 0.393 1.00 0.00 H new ATOM 0 HG LEU A 32 8.166 -8.731 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.062 -7.598 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.377 -6.451 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.752 -6.557 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.724 -9.631 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.362 -8.669 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.061 -9.968 1.246 1.00 0.00 H new ATOM 445 N TRP A 33 7.057 -7.324 -3.014 1.00 0.00 N ATOM 446 CA TRP A 33 6.898 -6.563 -4.247 1.00 0.00 C ATOM 447 C TRP A 33 5.778 -7.142 -5.104 1.00 0.00 C ATOM 448 O TRP A 33 4.717 -6.535 -5.248 1.00 0.00 O ATOM 449 CB TRP A 33 8.207 -6.552 -5.037 1.00 0.00 C ATOM 450 CG TRP A 33 8.322 -5.395 -5.983 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.375 -4.962 -6.866 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.448 -4.526 -6.140 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.845 -3.875 -7.563 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.114 -3.587 -7.136 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.706 -4.447 -5.536 1.00 0.00 C ATOM 456 CZ2 TRP A 33 9.992 -2.585 -7.540 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.577 -3.452 -5.937 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.217 -2.532 -6.931 1.00 0.00 C ATOM 0 H TRP A 33 8.026 -7.518 -2.760 1.00 0.00 H new ATOM 0 HA TRP A 33 6.634 -5.540 -3.981 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.044 -6.525 -4.339 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.291 -7.482 -5.600 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.400 -5.408 -6.997 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.332 -3.365 -8.282 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.992 -5.151 -4.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.717 -1.875 -8.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.551 -3.382 -5.477 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.920 -1.766 -7.222 1.00 0.00 H new ATOM 469 N GLU A 34 6.021 -8.320 -5.671 1.00 0.00 N ATOM 470 CA GLU A 34 5.031 -8.980 -6.515 1.00 0.00 C ATOM 471 C GLU A 34 3.752 -9.263 -5.732 1.00 0.00 C ATOM 472 O GLU A 34 2.647 -8.998 -6.209 1.00 0.00 O ATOM 473 CB GLU A 34 5.597 -10.285 -7.078 1.00 0.00 C ATOM 474 CG GLU A 34 4.575 -11.113 -7.839 1.00 0.00 C ATOM 475 CD GLU A 34 5.140 -12.435 -8.323 1.00 0.00 C ATOM 476 OE1 GLU A 34 6.053 -12.414 -9.173 1.00 0.00 O ATOM 477 OE2 GLU A 34 4.667 -13.490 -7.850 1.00 0.00 O ATOM 0 H GLU A 34 6.894 -8.836 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 34 4.791 -8.311 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.431 -10.054 -7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.997 -10.881 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.715 -11.303 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.214 -10.542 -8.694 1.00 0.00 H new ATOM 484 N LEU A 35 3.909 -9.804 -4.529 1.00 0.00 N ATOM 485 CA LEU A 35 2.767 -10.124 -3.680 1.00 0.00 C ATOM 486 C LEU A 35 1.872 -8.904 -3.487 1.00 0.00 C ATOM 487 O LEU A 35 0.666 -9.033 -3.274 1.00 0.00 O ATOM 488 CB LEU A 35 3.245 -10.640 -2.321 1.00 0.00 C ATOM 489 CG LEU A 35 2.192 -10.692 -1.214 1.00 0.00 C ATOM 490 CD1 LEU A 35 1.107 -11.701 -1.558 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.838 -11.035 0.120 1.00 0.00 C ATOM 0 H LEU A 35 4.815 -10.030 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 35 2.186 -10.903 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.649 -11.643 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.067 -10.008 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 35 1.731 -9.708 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.366 -11.725 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.625 -11.412 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.552 -12.690 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.074 -11.068 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.325 -12.008 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.579 -10.276 0.372 1.00 0.00 H new ATOM 503 N PHE A 36 2.470 -7.720 -3.565 1.00 0.00 N ATOM 504 CA PHE A 36 1.727 -6.476 -3.400 1.00 0.00 C ATOM 505 C PHE A 36 1.303 -5.913 -4.754 1.00 0.00 C ATOM 506 O PHE A 36 0.259 -5.269 -4.872 1.00 0.00 O ATOM 507 CB PHE A 36 2.575 -5.447 -2.650 1.00 0.00 C ATOM 508 CG PHE A 36 2.407 -5.505 -1.158 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.836 -6.612 -0.443 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.821 -4.454 -0.472 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.682 -6.669 0.930 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.665 -4.505 0.901 1.00 0.00 C ATOM 513 CZ PHE A 36 2.097 -5.613 1.602 1.00 0.00 C ATOM 0 H PHE A 36 3.467 -7.596 -3.741 1.00 0.00 H new ATOM 0 HA PHE A 36 0.831 -6.691 -2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.625 -5.605 -2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.313 -4.448 -2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.296 -7.439 -0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.482 -3.585 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.019 -7.538 1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.206 -3.679 1.424 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.978 -5.654 2.675 1.00 0.00 H new ATOM 523 N LEU A 37 2.120 -6.159 -5.772 1.00 0.00 N ATOM 524 CA LEU A 37 1.831 -5.676 -7.118 1.00 0.00 C ATOM 525 C LEU A 37 0.337 -5.754 -7.416 1.00 0.00 C ATOM 526 O LEU A 37 -0.199 -4.940 -8.167 1.00 0.00 O ATOM 527 CB LEU A 37 2.611 -6.490 -8.152 1.00 0.00 C ATOM 528 CG LEU A 37 4.077 -6.100 -8.345 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.751 -7.033 -9.339 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.188 -4.655 -8.807 1.00 0.00 C ATOM 0 H LEU A 37 2.987 -6.690 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 37 2.141 -4.633 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.570 -7.541 -7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.103 -6.403 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 37 4.587 -6.194 -7.386 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.793 -6.740 -9.464 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.704 -8.057 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.240 -6.972 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.238 -4.395 -8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.662 -4.534 -9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.743 -3.999 -8.059 1.00 0.00 H new ATOM 542 N GLN A 38 -0.330 -6.738 -6.820 1.00 0.00 N ATOM 543 CA GLN A 38 -1.762 -6.921 -7.020 1.00 0.00 C ATOM 544 C GLN A 38 -2.526 -5.644 -6.685 1.00 0.00 C ATOM 545 O GLN A 38 -3.384 -5.203 -7.450 1.00 0.00 O ATOM 546 CB GLN A 38 -2.276 -8.077 -6.160 1.00 0.00 C ATOM 547 CG GLN A 38 -1.784 -8.030 -4.722 1.00 0.00 C ATOM 548 CD GLN A 38 -2.313 -9.180 -3.887 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.405 -9.101 -3.323 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.540 -10.256 -3.804 1.00 0.00 N ATOM 0 H GLN A 38 0.099 -7.420 -6.195 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.929 -7.158 -8.071 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.366 -8.065 -6.163 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.967 -9.020 -6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.694 -8.051 -4.714 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.088 -7.087 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.642 -10.278 -4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.844 -11.061 -3.256 1.00 0.00 H new ATOM 559 N ALA A 39 -2.209 -5.054 -5.537 1.00 0.00 N ATOM 560 CA ALA A 39 -2.864 -3.827 -5.102 1.00 0.00 C ATOM 561 C ALA A 39 -2.516 -2.663 -6.023 1.00 0.00 C ATOM 562 O ALA A 39 -3.381 -1.868 -6.389 1.00 0.00 O ATOM 563 CB ALA A 39 -2.476 -3.502 -3.667 1.00 0.00 C ATOM 0 H ALA A 39 -1.502 -5.406 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.942 -3.983 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.972 -2.583 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.781 -4.319 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.396 -3.371 -3.603 1.00 0.00 H new ATOM 569 N GLY A 40 -1.242 -2.567 -6.393 1.00 0.00 N ATOM 570 CA GLY A 40 -0.803 -1.496 -7.268 1.00 0.00 C ATOM 571 C GLY A 40 0.638 -1.662 -7.709 1.00 0.00 C ATOM 572 O GLY A 40 1.307 -2.636 -7.363 1.00 0.00 O ATOM 0 H GLY A 40 -0.507 -3.212 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.447 -1.462 -8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.915 -0.542 -6.753 1.00 0.00 H new ATOM 576 N PRO A 41 1.136 -0.694 -8.493 1.00 0.00 N ATOM 577 CA PRO A 41 2.512 -0.716 -9.000 1.00 0.00 C ATOM 578 C PRO A 41 3.539 -0.486 -7.897 1.00 0.00 C ATOM 579 O PRO A 41 3.945 0.647 -7.638 1.00 0.00 O ATOM 580 CB PRO A 41 2.538 0.440 -10.004 1.00 0.00 C ATOM 581 CG PRO A 41 1.465 1.366 -9.543 1.00 0.00 C ATOM 582 CD PRO A 41 0.395 0.496 -8.945 1.00 0.00 C ATOM 0 HA PRO A 41 2.772 -1.682 -9.434 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.510 0.934 -10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.349 0.088 -11.018 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.849 2.073 -8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.072 1.952 -10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.111 0.993 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.370 0.239 -9.678 1.00 0.00 H new ATOM 590 N VAL A 42 3.958 -1.570 -7.249 1.00 0.00 N ATOM 591 CA VAL A 42 4.940 -1.486 -6.175 1.00 0.00 C ATOM 592 C VAL A 42 6.226 -0.824 -6.656 1.00 0.00 C ATOM 593 O VAL A 42 6.795 -1.215 -7.675 1.00 0.00 O ATOM 594 CB VAL A 42 5.274 -2.880 -5.611 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.400 -2.788 -4.592 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.037 -3.515 -4.995 1.00 0.00 C ATOM 0 H VAL A 42 3.632 -2.516 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 42 4.495 -0.879 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 42 5.610 -3.514 -6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.622 -3.782 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.290 -2.377 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.096 -2.138 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.291 -4.499 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.669 -2.884 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.263 -3.617 -5.756 1.00 0.00 H new ATOM 606 N VAL A 43 6.679 0.183 -5.916 1.00 0.00 N ATOM 607 CA VAL A 43 7.899 0.900 -6.265 1.00 0.00 C ATOM 608 C VAL A 43 9.133 0.176 -5.738 1.00 0.00 C ATOM 609 O VAL A 43 10.053 -0.134 -6.493 1.00 0.00 O ATOM 610 CB VAL A 43 7.885 2.337 -5.710 1.00 0.00 C ATOM 611 CG1 VAL A 43 8.943 3.186 -6.397 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.505 2.956 -5.872 1.00 0.00 C ATOM 0 H VAL A 43 6.219 0.521 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 43 7.941 0.939 -7.353 1.00 0.00 H new ATOM 0 HB VAL A 43 8.119 2.299 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.918 4.197 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.927 2.751 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.744 3.219 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.513 3.971 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.240 2.982 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.772 2.359 -5.328 1.00 0.00 H new ATOM 622 N ASN A 44 9.143 -0.092 -4.436 1.00 0.00 N ATOM 623 CA ASN A 44 10.264 -0.780 -3.806 1.00 0.00 C ATOM 624 C ASN A 44 9.848 -1.390 -2.471 1.00 0.00 C ATOM 625 O ASN A 44 8.857 -0.976 -1.868 1.00 0.00 O ATOM 626 CB ASN A 44 11.431 0.187 -3.596 1.00 0.00 C ATOM 627 CG ASN A 44 12.408 -0.305 -2.545 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.193 -1.220 -2.792 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.363 0.303 -1.366 1.00 0.00 N ATOM 0 H ASN A 44 8.388 0.157 -3.797 1.00 0.00 H new ATOM 0 HA ASN A 44 10.582 -1.584 -4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.957 0.327 -4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.043 1.161 -3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.996 0.016 -0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.695 1.057 -1.206 1.00 0.00 H new ATOM 636 N THR A 45 10.612 -2.378 -2.014 1.00 0.00 N ATOM 637 CA THR A 45 10.322 -3.045 -0.751 1.00 0.00 C ATOM 638 C THR A 45 11.345 -2.671 0.316 1.00 0.00 C ATOM 639 O THR A 45 12.505 -2.396 0.008 1.00 0.00 O ATOM 640 CB THR A 45 10.307 -4.577 -0.916 1.00 0.00 C ATOM 641 OG1 THR A 45 11.527 -5.016 -1.524 1.00 0.00 O ATOM 642 CG2 THR A 45 9.124 -5.018 -1.764 1.00 0.00 C ATOM 0 H THR A 45 11.436 -2.733 -2.500 1.00 0.00 H new ATOM 0 HA THR A 45 9.334 -2.710 -0.436 1.00 0.00 H new ATOM 0 HB THR A 45 10.212 -5.026 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.355 -5.818 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.134 -6.103 -1.867 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.196 -4.708 -1.283 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.193 -4.560 -2.751 1.00 0.00 H new ATOM 650 N HIS A 46 10.908 -2.662 1.571 1.00 0.00 N ATOM 651 CA HIS A 46 11.786 -2.322 2.684 1.00 0.00 C ATOM 652 C HIS A 46 11.607 -3.305 3.838 1.00 0.00 C ATOM 653 O HIS A 46 10.509 -3.456 4.371 1.00 0.00 O ATOM 654 CB HIS A 46 11.508 -0.897 3.165 1.00 0.00 C ATOM 655 CG HIS A 46 12.499 -0.400 4.171 1.00 0.00 C ATOM 656 ND1 HIS A 46 12.909 -1.145 5.256 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.166 0.776 4.251 1.00 0.00 C ATOM 658 CE1 HIS A 46 13.783 -0.449 5.961 1.00 0.00 C ATOM 659 NE2 HIS A 46 13.956 0.720 5.372 1.00 0.00 N ATOM 0 H HIS A 46 9.951 -2.886 1.843 1.00 0.00 H new ATOM 0 HA HIS A 46 12.816 -2.384 2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.507 -0.226 2.306 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.510 -0.858 3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.090 1.604 3.561 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.273 -0.780 6.865 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.576 1.461 5.697 1.00 0.00 H new ATOM 667 N MET A 47 12.693 -3.970 4.216 1.00 0.00 N ATOM 668 CA MET A 47 12.655 -4.938 5.306 1.00 0.00 C ATOM 669 C MET A 47 13.930 -4.866 6.141 1.00 0.00 C ATOM 670 O MET A 47 15.034 -5.112 5.655 1.00 0.00 O ATOM 671 CB MET A 47 12.472 -6.353 4.754 1.00 0.00 C ATOM 672 CG MET A 47 11.105 -6.591 4.133 1.00 0.00 C ATOM 673 SD MET A 47 10.874 -8.297 3.597 1.00 0.00 S ATOM 674 CE MET A 47 11.013 -9.165 5.158 1.00 0.00 C ATOM 0 H MET A 47 13.610 -3.857 3.784 1.00 0.00 H new ATOM 0 HA MET A 47 11.808 -4.694 5.947 1.00 0.00 H new ATOM 0 HB2 MET A 47 13.240 -6.544 4.005 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.626 -7.071 5.559 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.332 -6.334 4.857 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.977 -5.925 3.279 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.230 -9.920 5.225 1.00 0.00 H new ATOM 0 HE2 MET A 47 11.988 -9.647 5.220 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.906 -8.456 5.979 1.00 0.00 H new ATOM 684 N PRO A 48 13.776 -4.521 7.428 1.00 0.00 N ATOM 685 CA PRO A 48 14.904 -4.409 8.358 1.00 0.00 C ATOM 686 C PRO A 48 15.516 -5.765 8.693 1.00 0.00 C ATOM 687 O PRO A 48 14.816 -6.777 8.749 1.00 0.00 O ATOM 688 CB PRO A 48 14.275 -3.784 9.605 1.00 0.00 C ATOM 689 CG PRO A 48 12.837 -4.167 9.537 1.00 0.00 C ATOM 690 CD PRO A 48 12.490 -4.214 8.075 1.00 0.00 C ATOM 0 HA PRO A 48 15.722 -3.824 7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.742 -4.160 10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.396 -2.701 9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.668 -5.135 10.010 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.215 -3.443 10.063 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.742 -4.978 7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.082 -3.264 7.728 1.00 0.00 H new ATOM 851 N TYR A 59 8.769 -8.236 9.970 1.00 0.00 N ATOM 852 CA TYR A 59 7.987 -7.077 9.557 1.00 0.00 C ATOM 853 C TYR A 59 8.710 -6.291 8.467 1.00 0.00 C ATOM 854 O TYR A 59 9.938 -6.291 8.397 1.00 0.00 O ATOM 855 CB TYR A 59 7.708 -6.170 10.756 1.00 0.00 C ATOM 856 CG TYR A 59 8.939 -5.467 11.282 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.827 -6.119 12.129 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.215 -4.151 10.931 1.00 0.00 C ATOM 859 CE1 TYR A 59 10.952 -5.480 12.613 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.339 -3.505 11.409 1.00 0.00 C ATOM 861 CZ TYR A 59 11.204 -4.174 12.249 1.00 0.00 C ATOM 862 OH TYR A 59 12.325 -3.534 12.728 1.00 0.00 O ATOM 0 HA TYR A 59 7.040 -7.435 9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.967 -5.423 10.471 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.269 -6.765 11.557 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.634 -7.143 12.414 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.539 -3.624 10.273 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.630 -6.000 13.273 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.539 -2.482 11.126 1.00 0.00 H new ATOM 0 HH TYR A 59 12.355 -2.620 12.376 1.00 0.00 H new ATOM 872 N GLY A 60 7.937 -5.622 7.617 1.00 0.00 N ATOM 873 CA GLY A 60 8.520 -4.840 6.542 1.00 0.00 C ATOM 874 C GLY A 60 7.604 -3.728 6.072 1.00 0.00 C ATOM 875 O GLY A 60 6.700 -3.309 6.796 1.00 0.00 O ATOM 0 H GLY A 60 6.918 -5.608 7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.464 -4.411 6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.750 -5.496 5.703 1.00 0.00 H new ATOM 879 N PHE A 61 7.837 -3.246 4.855 1.00 0.00 N ATOM 880 CA PHE A 61 7.027 -2.173 4.290 1.00 0.00 C ATOM 881 C PHE A 61 7.039 -2.229 2.765 1.00 0.00 C ATOM 882 O PHE A 61 7.924 -2.836 2.161 1.00 0.00 O ATOM 883 CB PHE A 61 7.541 -0.813 4.765 1.00 0.00 C ATOM 884 CG PHE A 61 7.761 -0.741 6.249 1.00 0.00 C ATOM 885 CD1 PHE A 61 8.876 -1.326 6.827 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.852 -0.088 7.066 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.081 -1.261 8.193 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.052 -0.019 8.432 1.00 0.00 C ATOM 889 CZ PHE A 61 8.168 -0.607 8.996 1.00 0.00 C ATOM 0 H PHE A 61 8.580 -3.582 4.242 1.00 0.00 H new ATOM 0 HA PHE A 61 6.001 -2.306 4.634 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.478 -0.589 4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.828 -0.042 4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.593 -1.839 6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.977 0.372 6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.954 -1.721 8.631 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.337 0.494 9.058 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.326 -0.555 10.063 1.00 0.00 H new ATOM 899 N VAL A 62 6.049 -1.593 2.147 1.00 0.00 N ATOM 900 CA VAL A 62 5.944 -1.569 0.693 1.00 0.00 C ATOM 901 C VAL A 62 5.577 -0.177 0.192 1.00 0.00 C ATOM 902 O VAL A 62 4.436 0.263 0.333 1.00 0.00 O ATOM 903 CB VAL A 62 4.895 -2.578 0.190 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.794 -2.531 -1.327 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.235 -3.982 0.666 1.00 0.00 C ATOM 0 H VAL A 62 5.307 -1.087 2.631 1.00 0.00 H new ATOM 0 HA VAL A 62 6.922 -1.847 0.300 1.00 0.00 H new ATOM 0 HB VAL A 62 3.925 -2.304 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.048 -3.251 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.500 -1.529 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.761 -2.779 -1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.483 -4.682 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.214 -4.269 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.252 -4.003 1.756 1.00 0.00 H new ATOM 915 N GLU A 63 6.552 0.511 -0.395 1.00 0.00 N ATOM 916 CA GLU A 63 6.330 1.854 -0.917 1.00 0.00 C ATOM 917 C GLU A 63 5.734 1.800 -2.321 1.00 0.00 C ATOM 918 O GLU A 63 6.421 1.467 -3.287 1.00 0.00 O ATOM 919 CB GLU A 63 7.642 2.641 -0.938 1.00 0.00 C ATOM 920 CG GLU A 63 7.495 4.057 -1.469 1.00 0.00 C ATOM 921 CD GLU A 63 8.821 4.789 -1.554 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.278 5.308 -0.514 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.400 4.842 -2.659 1.00 0.00 O ATOM 0 H GLU A 63 7.502 0.161 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 63 5.623 2.359 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.048 2.682 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.367 2.106 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.038 4.025 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.817 4.615 -0.823 1.00 0.00 H new ATOM 930 N PHE A 64 4.451 2.130 -2.427 1.00 0.00 N ATOM 931 CA PHE A 64 3.762 2.118 -3.711 1.00 0.00 C ATOM 932 C PHE A 64 4.073 3.382 -4.508 1.00 0.00 C ATOM 933 O PHE A 64 4.641 4.339 -3.979 1.00 0.00 O ATOM 934 CB PHE A 64 2.251 1.993 -3.502 1.00 0.00 C ATOM 935 CG PHE A 64 1.791 0.580 -3.286 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.495 -0.239 -4.364 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.654 0.070 -2.005 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.071 -1.540 -4.169 1.00 0.00 C ATOM 939 CE2 PHE A 64 1.231 -1.230 -1.804 1.00 0.00 C ATOM 940 CZ PHE A 64 0.938 -2.036 -2.887 1.00 0.00 C ATOM 0 H PHE A 64 3.868 2.409 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 64 4.117 1.256 -4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.960 2.597 -2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.737 2.405 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.597 0.144 -5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.880 0.696 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.844 -2.168 -5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.129 -1.616 -0.800 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.606 -3.052 -2.731 1.00 0.00 H new ATOM 950 N LEU A 65 3.699 3.378 -5.782 1.00 0.00 N ATOM 951 CA LEU A 65 3.938 4.523 -6.653 1.00 0.00 C ATOM 952 C LEU A 65 3.056 5.703 -6.257 1.00 0.00 C ATOM 953 O LEU A 65 3.536 6.826 -6.105 1.00 0.00 O ATOM 954 CB LEU A 65 3.675 4.143 -8.112 1.00 0.00 C ATOM 955 CG LEU A 65 4.077 5.183 -9.159 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.585 5.190 -9.353 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.369 4.911 -10.479 1.00 0.00 C ATOM 0 H LEU A 65 3.229 2.594 -6.235 1.00 0.00 H new ATOM 0 HA LEU A 65 4.981 4.820 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.207 3.216 -8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.611 3.934 -8.226 1.00 0.00 H new ATOM 0 HG LEU A 65 3.773 6.167 -8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.852 5.936 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.072 5.433 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.913 4.206 -9.688 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.666 5.660 -11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.643 3.920 -10.841 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.290 4.958 -10.330 1.00 0.00 H new ATOM 969 N SER A 66 1.764 5.439 -6.089 1.00 0.00 N ATOM 970 CA SER A 66 0.814 6.479 -5.711 1.00 0.00 C ATOM 971 C SER A 66 0.241 6.213 -4.322 1.00 0.00 C ATOM 972 O SER A 66 0.084 5.063 -3.914 1.00 0.00 O ATOM 973 CB SER A 66 -0.319 6.561 -6.735 1.00 0.00 C ATOM 974 OG SER A 66 0.190 6.739 -8.046 1.00 0.00 O ATOM 0 H SER A 66 1.351 4.514 -6.209 1.00 0.00 H new ATOM 0 HA SER A 66 1.345 7.431 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.917 5.650 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.982 7.389 -6.483 1.00 0.00 H new ATOM 0 HG SER A 66 -0.554 6.787 -8.682 1.00 0.00 H new ATOM 980 N GLU A 67 -0.069 7.286 -3.601 1.00 0.00 N ATOM 981 CA GLU A 67 -0.624 7.169 -2.258 1.00 0.00 C ATOM 982 C GLU A 67 -1.857 6.271 -2.255 1.00 0.00 C ATOM 983 O GLU A 67 -1.990 5.384 -1.412 1.00 0.00 O ATOM 984 CB GLU A 67 -0.984 8.551 -1.709 1.00 0.00 C ATOM 985 CG GLU A 67 -1.364 8.541 -0.237 1.00 0.00 C ATOM 986 CD GLU A 67 -2.112 9.792 0.181 1.00 0.00 C ATOM 987 OE1 GLU A 67 -3.066 10.176 -0.528 1.00 0.00 O ATOM 988 OE2 GLU A 67 -1.745 10.386 1.215 1.00 0.00 O ATOM 0 H GLU A 67 0.055 8.245 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 67 0.134 6.718 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.137 9.222 -1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.814 8.958 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.982 7.667 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.462 8.443 0.367 1.00 0.00 H new ATOM 995 N GLU A 68 -2.757 6.507 -3.205 1.00 0.00 N ATOM 996 CA GLU A 68 -3.980 5.721 -3.310 1.00 0.00 C ATOM 997 C GLU A 68 -3.665 4.229 -3.361 1.00 0.00 C ATOM 998 O GLU A 68 -4.296 3.426 -2.673 1.00 0.00 O ATOM 999 CB GLU A 68 -4.769 6.129 -4.556 1.00 0.00 C ATOM 1000 CG GLU A 68 -3.981 5.989 -5.848 1.00 0.00 C ATOM 1001 CD GLU A 68 -4.796 6.361 -7.072 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -5.476 7.408 -7.037 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -4.754 5.604 -8.064 1.00 0.00 O ATOM 0 H GLU A 68 -2.662 7.236 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.585 5.917 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.670 5.519 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.093 7.164 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.095 6.623 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.632 4.961 -5.947 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.684 3.865 -4.180 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.284 2.469 -4.321 1.00 0.00 C ATOM 1012 C ASP A 69 -2.018 1.840 -2.957 1.00 0.00 C ATOM 1013 O ASP A 69 -2.366 0.685 -2.716 1.00 0.00 O ATOM 1014 CB ASP A 69 -1.036 2.361 -5.198 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.362 2.426 -6.678 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.406 1.872 -7.080 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.572 3.030 -7.434 1.00 0.00 O ATOM 0 H ASP A 69 -2.151 4.517 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.102 1.928 -4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.347 3.166 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.524 1.423 -4.982 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.397 2.609 -2.067 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.084 2.127 -0.728 1.00 0.00 C ATOM 1024 C ALA A 70 -2.351 1.723 0.019 1.00 0.00 C ATOM 1025 O ALA A 70 -2.457 0.603 0.519 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.326 3.191 0.052 1.00 0.00 C ATOM 0 H ALA A 70 -1.101 3.568 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.452 1.244 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.099 2.817 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.603 3.430 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.938 4.089 0.131 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.307 2.642 0.093 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.567 2.381 0.779 1.00 0.00 C ATOM 1034 C ASP A 71 -5.242 1.131 0.221 1.00 0.00 C ATOM 1035 O ASP A 71 -5.829 0.345 0.965 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.503 3.583 0.647 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.821 3.372 1.366 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -7.492 2.355 1.091 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.182 4.224 2.204 1.00 0.00 O ATOM 0 H ASP A 71 -3.234 3.575 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.349 2.214 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.011 4.469 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.695 3.776 -0.408 1.00 0.00 H new ATOM 1044 N TYR A 72 -5.154 0.955 -1.093 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.758 -0.197 -1.752 1.00 0.00 C ATOM 1046 C TYR A 72 -5.150 -1.499 -1.240 1.00 0.00 C ATOM 1047 O TYR A 72 -5.849 -2.495 -1.060 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.577 -0.097 -3.267 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.438 -1.067 -4.045 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -6.040 -2.385 -4.230 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.648 -0.665 -4.596 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -6.823 -3.275 -4.940 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.438 -1.547 -5.306 1.00 0.00 C ATOM 1054 CZ TYR A 72 -8.021 -2.851 -5.476 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.804 -3.733 -6.185 1.00 0.00 O ATOM 0 H TYR A 72 -4.670 1.595 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.823 -0.199 -1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.810 0.919 -3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.530 -0.276 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.102 -2.720 -3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.977 0.356 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.499 -4.296 -5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.377 -1.218 -5.726 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.614 -3.276 -6.494 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.841 -1.481 -1.007 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.137 -2.658 -0.514 1.00 0.00 C ATOM 1067 C ALA A 73 -3.410 -2.878 0.970 1.00 0.00 C ATOM 1068 O ALA A 73 -3.336 -4.004 1.464 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.643 -2.522 -0.764 1.00 0.00 C ATOM 0 H ALA A 73 -3.247 -0.664 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.507 -3.527 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.130 -3.408 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.461 -2.421 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.266 -1.640 -0.247 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.723 -1.797 1.677 1.00 0.00 N ATOM 1076 CA ILE A 74 -4.006 -1.874 3.104 1.00 0.00 C ATOM 1077 C ILE A 74 -5.411 -2.410 3.358 1.00 0.00 C ATOM 1078 O ILE A 74 -5.749 -2.792 4.479 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.864 -0.497 3.781 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.433 0.024 3.632 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.250 -0.587 5.250 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.311 1.519 3.827 1.00 0.00 C ATOM 0 H ILE A 74 -3.787 -0.858 1.284 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.275 -2.559 3.534 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.539 0.204 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.794 -0.482 4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.061 -0.237 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.145 0.393 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.285 -0.919 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.598 -1.300 5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.270 1.818 3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.924 2.034 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.652 1.784 4.828 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.226 -2.438 2.309 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.594 -2.930 2.416 1.00 0.00 C ATOM 1096 C LYS A 75 -7.670 -4.409 2.050 1.00 0.00 C ATOM 1097 O LYS A 75 -8.557 -5.128 2.513 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.522 -2.121 1.507 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.703 -2.729 0.127 1.00 0.00 C ATOM 1100 CD LYS A 75 -9.149 -1.689 -0.887 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.645 -1.429 -0.797 1.00 0.00 C ATOM 1102 NZ LYS A 75 -11.425 -2.377 -1.640 1.00 0.00 N ATOM 0 H LYS A 75 -5.962 -2.125 1.375 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.916 -2.812 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.497 -2.030 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.124 -1.112 1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.765 -3.178 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.440 -3.531 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.606 -0.759 -0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.897 -2.028 -1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.967 -1.517 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.855 -0.407 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.440 -2.167 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.136 -2.276 -2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.245 -3.351 -1.324 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.735 -4.857 1.220 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.695 -6.251 0.795 1.00 0.00 C ATOM 1118 C ILE A 76 -5.610 -7.022 1.539 1.00 0.00 C ATOM 1119 O ILE A 76 -5.818 -8.161 1.956 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.447 -6.372 -0.720 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.141 -5.672 -1.102 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.616 -5.784 -1.496 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.833 -5.735 -2.582 1.00 0.00 C ATOM 0 H ILE A 76 -5.995 -4.275 0.828 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.669 -6.680 1.031 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.360 -7.428 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.194 -4.628 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.319 -6.126 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.426 -5.877 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.529 -6.322 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.731 -4.731 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.894 -5.219 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.747 -6.777 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.636 -5.255 -3.141 1.00 0.00 H new ATOM 1135 N MET A 77 -4.451 -6.392 1.703 1.00 0.00 N ATOM 1136 CA MET A 77 -3.333 -7.018 2.400 1.00 0.00 C ATOM 1137 C MET A 77 -3.463 -6.835 3.909 1.00 0.00 C ATOM 1138 O MET A 77 -2.464 -6.819 4.629 1.00 0.00 O ATOM 1139 CB MET A 77 -2.008 -6.428 1.915 1.00 0.00 C ATOM 1140 CG MET A 77 -1.904 -6.329 0.402 1.00 0.00 C ATOM 1141 SD MET A 77 -2.387 -7.854 -0.429 1.00 0.00 S ATOM 1142 CE MET A 77 -0.902 -8.217 -1.362 1.00 0.00 C ATOM 0 H MET A 77 -4.262 -5.449 1.363 1.00 0.00 H new ATOM 0 HA MET A 77 -3.350 -8.085 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.883 -5.434 2.345 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.188 -7.042 2.288 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.536 -5.513 0.051 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.879 -6.079 0.128 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.822 -9.293 -1.515 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.948 -7.715 -2.329 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.031 -7.863 -0.811 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.697 -6.698 4.380 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.957 -6.518 5.804 1.00 0.00 C ATOM 1154 C ASP A 78 -5.292 -7.849 6.468 1.00 0.00 C ATOM 1155 O ASP A 78 -6.125 -8.608 5.974 1.00 0.00 O ATOM 1156 CB ASP A 78 -6.102 -5.526 6.013 1.00 0.00 C ATOM 1157 CG ASP A 78 -7.453 -6.209 6.087 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.816 -6.913 5.122 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -8.148 -6.040 7.111 1.00 0.00 O ATOM 0 H ASP A 78 -5.534 -6.708 3.797 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.053 -6.120 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.930 -4.966 6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.107 -4.804 5.196 1.00 0.00 H new ATOM 1164 N MET A 79 -4.637 -8.126 7.591 1.00 0.00 N ATOM 1165 CA MET A 79 -4.867 -9.366 8.323 1.00 0.00 C ATOM 1166 C MET A 79 -4.798 -10.570 7.388 1.00 0.00 C ATOM 1167 O MET A 79 -5.588 -11.507 7.508 1.00 0.00 O ATOM 1168 CB MET A 79 -6.227 -9.327 9.023 1.00 0.00 C ATOM 1169 CG MET A 79 -6.238 -8.473 10.280 1.00 0.00 C ATOM 1170 SD MET A 79 -7.755 -8.666 11.236 1.00 0.00 S ATOM 1171 CE MET A 79 -7.090 -8.901 12.882 1.00 0.00 C ATOM 0 H MET A 79 -3.943 -7.509 8.013 1.00 0.00 H new ATOM 0 HA MET A 79 -4.083 -9.465 9.074 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.974 -8.945 8.327 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.523 -10.344 9.282 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.384 -8.739 10.903 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.117 -7.425 10.004 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.908 -9.035 13.589 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.452 -9.785 12.894 1.00 0.00 H new ATOM 0 HE3 MET A 79 -6.504 -8.027 13.166 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.849 -10.538 6.459 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.677 -11.627 5.505 1.00 0.00 C ATOM 1183 C ILE A 80 -3.046 -12.846 6.170 1.00 0.00 C ATOM 1184 O ILE A 80 -2.331 -12.724 7.165 1.00 0.00 O ATOM 1185 CB ILE A 80 -2.804 -11.198 4.312 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -3.637 -10.410 3.299 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.171 -12.415 3.653 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.044 -10.397 1.908 1.00 0.00 C ATOM 0 H ILE A 80 -3.187 -9.770 6.346 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.671 -11.888 5.142 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.006 -10.552 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.639 -10.837 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.744 -9.383 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.557 -12.095 2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.548 -12.939 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.954 -13.084 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.687 -9.820 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.054 -9.942 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.963 -11.419 1.538 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.314 -14.022 5.613 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.771 -15.264 6.149 1.00 0.00 C ATOM 1202 C LYS A 81 -1.668 -15.809 5.247 1.00 0.00 C ATOM 1203 O LYS A 81 -1.917 -16.650 4.382 1.00 0.00 O ATOM 1204 CB LYS A 81 -3.881 -16.307 6.301 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.555 -16.283 7.662 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.085 -17.654 8.046 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.904 -17.597 9.326 1.00 0.00 C ATOM 1208 NZ LYS A 81 -7.340 -17.312 9.054 1.00 0.00 N ATOM 0 H LYS A 81 -3.905 -14.141 4.790 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.344 -15.051 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.633 -16.141 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.462 -17.299 6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.844 -15.943 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.375 -15.565 7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.700 -18.047 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.251 -18.344 8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.816 -18.546 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.499 -16.827 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.864 -17.281 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.427 -16.395 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.734 -18.060 8.449 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.448 -15.326 5.455 1.00 0.00 N ATOM 1223 CA LEU A 82 0.695 -15.767 4.662 1.00 0.00 C ATOM 1224 C LEU A 82 1.527 -16.791 5.427 1.00 0.00 C ATOM 1225 O LEU A 82 1.637 -16.727 6.652 1.00 0.00 O ATOM 1226 CB LEU A 82 1.566 -14.569 4.279 1.00 0.00 C ATOM 1227 CG LEU A 82 2.759 -14.870 3.371 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.285 -15.283 1.986 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.681 -13.663 3.283 1.00 0.00 C ATOM 0 H LEU A 82 -0.225 -14.629 6.166 1.00 0.00 H new ATOM 0 HA LEU A 82 0.317 -16.239 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.936 -13.830 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.938 -14.109 5.194 1.00 0.00 H new ATOM 0 HG LEU A 82 3.319 -15.699 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.148 -15.493 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.666 -16.177 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.701 -14.475 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.524 -13.896 2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.132 -12.814 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.049 -13.413 4.278 1.00 0.00 H new ATOM 1241 N TYR A 83 2.112 -17.734 4.697 1.00 0.00 N ATOM 1242 CA TYR A 83 2.934 -18.773 5.306 1.00 0.00 C ATOM 1243 C TYR A 83 2.563 -18.970 6.773 1.00 0.00 C ATOM 1244 O TYR A 83 3.415 -18.889 7.657 1.00 0.00 O ATOM 1245 CB TYR A 83 4.416 -18.415 5.187 1.00 0.00 C ATOM 1246 CG TYR A 83 4.809 -17.914 3.815 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.480 -18.631 2.672 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.510 -16.724 3.664 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.839 -18.178 1.417 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.871 -16.262 2.413 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.533 -16.993 1.293 1.00 0.00 C ATOM 1252 OH TYR A 83 5.891 -16.537 0.044 1.00 0.00 O ATOM 0 H TYR A 83 2.032 -17.800 3.682 1.00 0.00 H new ATOM 0 HA TYR A 83 2.749 -19.706 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.657 -17.651 5.926 1.00 0.00 H new ATOM 0 HB3 TYR A 83 5.014 -19.294 5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.934 -19.558 2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.777 -16.150 4.539 1.00 0.00 H new ATOM 0 HE1 TYR A 83 4.578 -18.749 0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.415 -15.334 2.313 1.00 0.00 H new ATOM 0 HH TYR A 83 5.233 -16.840 -0.616 1.00 0.00 H new ATOM 1262 N GLY A 84 1.284 -19.231 7.024 1.00 0.00 N ATOM 1263 CA GLY A 84 0.821 -19.436 8.384 1.00 0.00 C ATOM 1264 C GLY A 84 1.216 -18.302 9.308 1.00 0.00 C ATOM 1265 O GLY A 84 1.982 -18.497 10.252 1.00 0.00 O ATOM 0 H GLY A 84 0.560 -19.304 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.264 -19.539 8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.230 -20.371 8.767 1.00 0.00 H new ATOM 1269 N LYS A 85 0.693 -17.111 9.037 1.00 0.00 N ATOM 1270 CA LYS A 85 0.995 -15.939 9.851 1.00 0.00 C ATOM 1271 C LYS A 85 0.104 -14.763 9.463 1.00 0.00 C ATOM 1272 O LYS A 85 0.191 -14.224 8.360 1.00 0.00 O ATOM 1273 CB LYS A 85 2.467 -15.550 9.696 1.00 0.00 C ATOM 1274 CG LYS A 85 3.386 -16.243 10.686 1.00 0.00 C ATOM 1275 CD LYS A 85 4.589 -15.379 11.028 1.00 0.00 C ATOM 1276 CE LYS A 85 5.086 -15.650 12.440 1.00 0.00 C ATOM 1277 NZ LYS A 85 5.583 -17.045 12.595 1.00 0.00 N ATOM 0 H LYS A 85 0.058 -16.932 8.260 1.00 0.00 H new ATOM 0 HA LYS A 85 0.800 -16.192 10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.792 -15.788 8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.564 -14.471 9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.833 -16.475 11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.725 -17.191 10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.391 -15.572 10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.322 -14.327 10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.885 -14.950 12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.278 -15.471 13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.944 -17.180 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.805 -17.712 12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.348 -17.219 11.912 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.774 -14.353 10.391 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.696 -13.235 10.170 1.00 0.00 C ATOM 1293 C PRO A 86 -0.976 -11.892 10.115 1.00 0.00 C ATOM 1294 O PRO A 86 -0.889 -11.183 11.118 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.625 -13.296 11.385 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.821 -13.968 12.443 1.00 0.00 C ATOM 1297 CD PRO A 86 -0.932 -14.949 11.729 1.00 0.00 C ATOM 0 HA PRO A 86 -2.215 -13.317 9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.935 -12.299 11.697 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.533 -13.857 11.162 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.231 -13.243 13.004 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.466 -14.476 13.160 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.027 -15.064 12.234 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.385 -15.939 11.677 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.463 -11.548 8.939 1.00 0.00 N ATOM 1306 CA ILE A 87 0.248 -10.289 8.755 1.00 0.00 C ATOM 1307 C ILE A 87 -0.679 -9.098 8.975 1.00 0.00 C ATOM 1308 O ILE A 87 -1.891 -9.198 8.784 1.00 0.00 O ATOM 1309 CB ILE A 87 0.865 -10.192 7.347 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.235 -10.055 6.293 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.730 -11.410 7.063 1.00 0.00 C ATOM 1312 CD1 ILE A 87 0.259 -9.510 4.971 1.00 0.00 C ATOM 0 H ILE A 87 -0.526 -12.123 8.099 1.00 0.00 H new ATOM 0 HA ILE A 87 1.048 -10.266 9.495 1.00 0.00 H new ATOM 0 HB ILE A 87 1.496 -9.305 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.691 -11.031 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.016 -9.399 6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.159 -11.327 6.064 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.532 -11.466 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.120 -12.311 7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.574 -9.440 4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.689 -8.520 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.019 -10.177 4.564 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.099 -7.971 9.377 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.873 -6.760 9.622 1.00 0.00 C ATOM 1326 C ARG A 88 -0.378 -5.612 8.747 1.00 0.00 C ATOM 1327 O ARG A 88 0.812 -5.297 8.733 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.786 -6.364 11.097 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.929 -6.906 11.941 1.00 0.00 C ATOM 1330 CD ARG A 88 -1.839 -8.416 12.096 1.00 0.00 C ATOM 1331 NE ARG A 88 -0.999 -8.802 13.226 1.00 0.00 N ATOM 1332 CZ ARG A 88 -1.348 -8.627 14.496 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -2.516 -8.076 14.795 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -0.529 -9.004 15.469 1.00 0.00 N ATOM 0 H ARG A 88 0.903 -7.872 9.540 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.913 -6.966 9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.158 -6.723 11.506 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.773 -5.277 11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.911 -6.436 12.924 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.881 -6.643 11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.840 -8.827 12.232 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.437 -8.851 11.181 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.094 -9.230 13.030 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.149 -7.786 14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.782 -7.943 15.771 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.370 -9.429 15.243 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.798 -8.869 16.443 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.300 -4.991 8.017 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.958 -3.879 7.140 1.00 0.00 C ATOM 1350 C VAL A 89 -1.725 -2.619 7.525 1.00 0.00 C ATOM 1351 O VAL A 89 -2.934 -2.661 7.751 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.253 -4.215 5.666 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.219 -2.956 4.813 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.262 -5.247 5.147 1.00 0.00 C ATOM 0 H VAL A 89 -2.289 -5.240 8.016 1.00 0.00 H new ATOM 0 HA VAL A 89 0.111 -3.701 7.258 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.254 -4.641 5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.430 -3.214 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.971 -2.253 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.232 -2.498 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.485 -5.473 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.750 -4.850 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.341 -6.158 5.741 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.014 -1.498 7.598 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.628 -0.225 7.957 1.00 0.00 C ATOM 1366 C ASN A 90 -0.802 0.945 7.431 1.00 0.00 C ATOM 1367 O ASN A 90 0.379 0.793 7.115 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.778 -0.117 9.475 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.746 -1.141 10.036 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -3.962 -0.982 9.935 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -2.208 -2.200 10.630 1.00 0.00 N ATOM 0 H ASN A 90 -0.012 -1.446 7.413 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.616 -0.184 7.498 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.803 -0.248 9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.123 0.884 9.733 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.809 -2.923 11.025 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.194 -2.290 10.691 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.430 2.112 7.340 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.754 3.309 6.855 1.00 0.00 C ATOM 1380 C LYS A 91 0.601 3.482 7.534 1.00 0.00 C ATOM 1381 O LYS A 91 0.686 3.560 8.760 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.622 4.545 7.103 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.709 4.744 6.061 1.00 0.00 C ATOM 1384 CD LYS A 91 -2.236 5.633 4.923 1.00 0.00 C ATOM 1385 CE LYS A 91 -1.186 4.937 4.071 1.00 0.00 C ATOM 1386 NZ LYS A 91 0.195 5.222 4.550 1.00 0.00 N ATOM 0 H LYS A 91 -2.407 2.254 7.596 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.591 3.195 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.084 4.463 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.984 5.429 7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.015 3.776 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.587 5.188 6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.086 5.911 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.823 6.556 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.361 3.861 4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.285 5.262 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.822 4.435 4.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.540 6.100 4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.188 5.330 5.584 1.00 0.00 H new ATOM 1400 N ALA A 92 1.657 3.543 6.730 1.00 0.00 N ATOM 1401 CA ALA A 92 3.007 3.710 7.254 1.00 0.00 C ATOM 1402 C ALA A 92 3.167 5.064 7.937 1.00 0.00 C ATOM 1403 O ALA A 92 3.613 5.144 9.082 1.00 0.00 O ATOM 1404 CB ALA A 92 4.029 3.556 6.138 1.00 0.00 C ATOM 0 H ALA A 92 1.604 3.479 5.713 1.00 0.00 H new ATOM 0 HA ALA A 92 3.179 2.934 7.999 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.033 3.683 6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.939 2.563 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.849 4.311 5.373 1.00 0.00 H new