USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 694 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00983) USER MOD Single : A 22 ASN : amide:sc= 0.0212 X(o=0.021,f=-0.026) USER MOD Single : A 23 MET CE :methyl -142:sc= -5.2 (180deg=-10.6!) USER MOD Single : A 25 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-3.7!) USER MOD Single : A 27 MET CE :methyl 151:sc= -2.41 (180deg=-3.75!) USER MOD Single : A 37 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.22) USER MOD Single : A 47 CYS SG : rot -115:sc= -7.44! USER MOD Single : A 48 SER OG : rot 28:sc= 0.103 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.2) USER MOD Single : A 68 SER OG : rot 33:sc= -0.504 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -86:sc= -7.06! USER MOD Single : A 82 GLN : amide:sc= -1.91 K(o=-1.9,f=-2.5) USER MOD Single : A 83 THR OG1 : rot 117:sc= 0.749 USER MOD Single : A 93 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.1!) USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00788 USER MOD Single : A 97 GLN : amide:sc= -9.26! C(o=-9.3!,f=-5!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -169:sc= 1.04 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 219 N VAL A 17 9.464 10.292 -1.665 1.00 0.00 N ATOM 220 CA VAL A 17 8.601 9.278 -1.072 1.00 0.00 C ATOM 221 C VAL A 17 7.486 9.917 -0.252 1.00 0.00 C ATOM 222 O VAL A 17 7.742 10.732 0.635 1.00 0.00 O ATOM 223 CB VAL A 17 9.399 8.317 -0.172 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.474 7.299 0.476 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.492 7.623 -0.971 1.00 0.00 C ATOM 0 HA VAL A 17 8.165 8.713 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 17 9.872 8.898 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.056 6.629 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.732 7.817 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.970 6.721 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.046 6.948 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.042 7.054 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.172 8.369 -1.382 1.00 0.00 H new ATOM 235 N VAL A 18 6.247 9.542 -0.553 1.00 0.00 N ATOM 236 CA VAL A 18 5.092 10.077 0.158 1.00 0.00 C ATOM 237 C VAL A 18 4.666 9.150 1.292 1.00 0.00 C ATOM 238 O VAL A 18 4.798 7.930 1.191 1.00 0.00 O ATOM 239 CB VAL A 18 3.898 10.291 -0.791 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.370 10.845 -2.127 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.133 8.991 -0.985 1.00 0.00 C ATOM 0 H VAL A 18 6.017 8.870 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 18 5.394 11.039 0.573 1.00 0.00 H new ATOM 0 HB VAL A 18 3.224 11.020 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.513 10.990 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.871 11.800 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.065 10.143 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.293 9.160 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.796 8.239 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.761 8.640 -0.022 1.00 0.00 H new ATOM 251 N ILE A 19 4.156 9.738 2.368 1.00 0.00 N ATOM 252 CA ILE A 19 3.709 8.964 3.520 1.00 0.00 C ATOM 253 C ILE A 19 2.195 9.043 3.681 1.00 0.00 C ATOM 254 O ILE A 19 1.568 10.027 3.286 1.00 0.00 O ATOM 255 CB ILE A 19 4.378 9.452 4.819 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.876 9.667 4.598 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.141 8.454 5.943 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.585 8.452 4.042 1.00 0.00 C ATOM 0 H ILE A 19 4.042 10.747 2.467 1.00 0.00 H new ATOM 0 HA ILE A 19 3.999 7.929 3.337 1.00 0.00 H new ATOM 0 HB ILE A 19 3.932 10.405 5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.018 10.505 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.338 9.946 5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.620 8.812 6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.070 8.346 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.564 7.488 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.643 8.677 3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.474 7.618 4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.149 8.185 3.079 1.00 0.00 H new ATOM 270 N ILE A 20 1.612 8.000 4.265 1.00 0.00 N ATOM 271 CA ILE A 20 0.172 7.953 4.481 1.00 0.00 C ATOM 272 C ILE A 20 -0.157 7.484 5.894 1.00 0.00 C ATOM 273 O ILE A 20 0.502 6.595 6.435 1.00 0.00 O ATOM 274 CB ILE A 20 -0.519 7.019 3.469 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.082 7.209 2.074 1.00 0.00 C ATOM 276 CG2 ILE A 20 -2.017 7.279 3.445 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.509 8.377 1.316 1.00 0.00 C ATOM 0 H ILE A 20 2.116 7.177 4.596 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.201 8.968 4.341 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.354 5.987 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.158 7.354 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.068 6.297 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.491 6.611 2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.434 7.099 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.202 8.314 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.036 8.452 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.581 8.225 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.336 9.298 1.873 1.00 0.00 H new ATOM 289 N LYS A 21 -1.182 8.086 6.487 1.00 0.00 N ATOM 290 CA LYS A 21 -1.603 7.729 7.837 1.00 0.00 C ATOM 291 C LYS A 21 -3.045 7.234 7.845 1.00 0.00 C ATOM 292 O LYS A 21 -3.826 7.554 6.950 1.00 0.00 O ATOM 293 CB LYS A 21 -1.460 8.932 8.773 1.00 0.00 C ATOM 294 CG LYS A 21 -0.108 9.010 9.461 1.00 0.00 C ATOM 295 CD LYS A 21 1.026 9.103 8.453 1.00 0.00 C ATOM 296 CE LYS A 21 2.382 9.128 9.141 1.00 0.00 C ATOM 297 NZ LYS A 21 2.622 10.417 9.848 1.00 0.00 N ATOM 0 H LYS A 21 -1.737 8.824 6.054 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.959 6.923 8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.621 9.847 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.242 8.887 9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.083 9.879 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.033 8.130 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.978 8.254 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.906 10.003 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.443 8.306 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.167 8.967 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.583 10.421 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.523 11.205 9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.929 10.526 10.615 1.00 0.00 H new ATOM 311 N ASN A 22 -3.393 6.452 8.862 1.00 0.00 N ATOM 312 CA ASN A 22 -4.742 5.914 8.986 1.00 0.00 C ATOM 313 C ASN A 22 -5.180 5.238 7.691 1.00 0.00 C ATOM 314 O ASN A 22 -6.220 5.572 7.125 1.00 0.00 O ATOM 315 CB ASN A 22 -5.726 7.028 9.351 1.00 0.00 C ATOM 316 CG ASN A 22 -6.912 6.515 10.145 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.755 6.004 11.255 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.106 6.649 9.580 1.00 0.00 N ATOM 0 H ASN A 22 -2.759 6.177 9.612 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.737 5.168 9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.207 7.792 9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.083 7.507 8.439 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.940 6.322 10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.189 7.079 8.659 1.00 0.00 H new ATOM 325 N MET A 23 -4.377 4.285 7.227 1.00 0.00 N ATOM 326 CA MET A 23 -4.683 3.560 5.999 1.00 0.00 C ATOM 327 C MET A 23 -4.751 2.058 6.257 1.00 0.00 C ATOM 328 O MET A 23 -5.237 1.296 5.421 1.00 0.00 O ATOM 329 CB MET A 23 -3.629 3.858 4.930 1.00 0.00 C ATOM 330 CG MET A 23 -2.206 3.576 5.385 1.00 0.00 C ATOM 331 SD MET A 23 -1.132 3.067 4.028 1.00 0.00 S ATOM 332 CE MET A 23 -2.057 1.683 3.365 1.00 0.00 C ATOM 0 H MET A 23 -3.511 3.997 7.682 1.00 0.00 H new ATOM 0 HA MET A 23 -5.657 3.894 5.642 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.843 3.261 4.044 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.707 4.905 4.636 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.794 4.470 5.854 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.220 2.795 6.145 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.366 0.898 3.058 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.730 1.296 4.130 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.638 2.013 2.504 1.00 0.00 H new ATOM 342 N PHE A 24 -4.261 1.639 7.419 1.00 0.00 N ATOM 343 CA PHE A 24 -4.266 0.227 7.786 1.00 0.00 C ATOM 344 C PHE A 24 -4.000 0.053 9.279 1.00 0.00 C ATOM 345 O PHE A 24 -3.733 1.021 9.991 1.00 0.00 O ATOM 346 CB PHE A 24 -3.216 -0.536 6.977 1.00 0.00 C ATOM 347 CG PHE A 24 -1.803 -0.172 7.334 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.225 -0.648 8.500 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.053 0.646 6.504 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.075 -0.314 8.831 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.247 0.983 6.830 1.00 0.00 C ATOM 352 CZ PHE A 24 0.812 0.501 7.995 1.00 0.00 C ATOM 0 H PHE A 24 -3.856 2.256 8.123 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.252 -0.178 7.560 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.357 -1.606 7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.375 -0.343 5.916 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.796 -1.287 9.157 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.490 1.025 5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.514 -0.690 9.743 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.820 1.622 6.175 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.828 0.761 8.251 1.00 0.00 H new ATOM 362 N HIS A 25 -4.075 -1.190 9.746 1.00 0.00 N ATOM 363 CA HIS A 25 -3.843 -1.492 11.153 1.00 0.00 C ATOM 364 C HIS A 25 -3.197 -2.865 11.314 1.00 0.00 C ATOM 365 O HIS A 25 -3.527 -3.820 10.611 1.00 0.00 O ATOM 366 CB HIS A 25 -5.158 -1.441 11.932 1.00 0.00 C ATOM 367 CG HIS A 25 -4.989 -1.049 13.368 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.923 -1.966 14.395 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.870 0.170 13.944 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.773 -1.328 15.542 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.737 -0.031 15.297 1.00 0.00 N ATOM 0 H HIS A 25 -4.294 -2.003 9.170 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.163 -0.740 11.553 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.831 -0.733 11.447 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.637 -2.419 11.885 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.878 1.123 13.435 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.693 -1.789 16.515 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.628 0.702 15.998 1.00 0.00 H new ATOM 379 N PRO A 26 -2.252 -2.968 12.261 1.00 0.00 N ATOM 380 CA PRO A 26 -1.540 -4.219 12.536 1.00 0.00 C ATOM 381 C PRO A 26 -2.439 -5.269 13.180 1.00 0.00 C ATOM 382 O PRO A 26 -2.453 -6.427 12.765 1.00 0.00 O ATOM 383 CB PRO A 26 -0.435 -3.793 13.506 1.00 0.00 C ATOM 384 CG PRO A 26 -0.965 -2.568 14.169 1.00 0.00 C ATOM 385 CD PRO A 26 -1.808 -1.871 13.137 1.00 0.00 C ATOM 0 HA PRO A 26 -1.168 -4.685 11.623 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.223 -4.577 14.233 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.497 -3.587 12.979 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.557 -2.825 15.048 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.153 -1.925 14.508 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.652 -1.353 13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.235 -1.125 12.587 1.00 0.00 H new ATOM 393 N MET A 27 -3.189 -4.855 14.197 1.00 0.00 N ATOM 394 CA MET A 27 -4.092 -5.761 14.897 1.00 0.00 C ATOM 395 C MET A 27 -5.130 -6.340 13.941 1.00 0.00 C ATOM 396 O MET A 27 -5.866 -7.262 14.294 1.00 0.00 O ATOM 397 CB MET A 27 -4.791 -5.031 16.046 1.00 0.00 C ATOM 398 CG MET A 27 -3.830 -4.444 17.067 1.00 0.00 C ATOM 399 SD MET A 27 -3.408 -5.611 18.375 1.00 0.00 S ATOM 400 CE MET A 27 -2.170 -6.610 17.551 1.00 0.00 C ATOM 0 H MET A 27 -3.189 -3.899 14.554 1.00 0.00 H new ATOM 0 HA MET A 27 -3.501 -6.582 15.303 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.406 -4.230 15.636 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.465 -5.724 16.550 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.918 -4.126 16.561 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.276 -3.553 17.510 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.468 -7.000 18.288 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.655 -7.440 17.037 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.633 -5.999 16.826 1.00 0.00 H new ATOM 410 N ASP A 28 -5.184 -5.793 12.732 1.00 0.00 N ATOM 411 CA ASP A 28 -6.132 -6.257 11.725 1.00 0.00 C ATOM 412 C ASP A 28 -5.550 -7.419 10.926 1.00 0.00 C ATOM 413 O ASP A 28 -6.253 -8.377 10.603 1.00 0.00 O ATOM 414 CB ASP A 28 -6.508 -5.112 10.783 1.00 0.00 C ATOM 415 CG ASP A 28 -7.807 -5.372 10.047 1.00 0.00 C ATOM 416 OD1 ASP A 28 -8.519 -6.329 10.417 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.114 -4.617 9.100 1.00 0.00 O ATOM 0 H ASP A 28 -4.583 -5.028 12.425 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.029 -6.605 12.238 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.596 -4.189 11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.707 -4.963 10.059 1.00 0.00 H new ATOM 422 N PHE A 29 -4.263 -7.327 10.608 1.00 0.00 N ATOM 423 CA PHE A 29 -3.588 -8.370 9.844 1.00 0.00 C ATOM 424 C PHE A 29 -3.520 -9.670 10.641 1.00 0.00 C ATOM 425 O PHE A 29 -3.457 -10.757 10.069 1.00 0.00 O ATOM 426 CB PHE A 29 -2.177 -7.919 9.462 1.00 0.00 C ATOM 427 CG PHE A 29 -2.106 -6.486 9.015 1.00 0.00 C ATOM 428 CD1 PHE A 29 -3.018 -5.987 8.099 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.128 -5.640 9.510 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.954 -4.670 7.686 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.059 -4.321 9.101 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.975 -3.836 8.188 1.00 0.00 C ATOM 0 H PHE A 29 -3.667 -6.541 10.867 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.163 -8.551 8.936 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.516 -8.058 10.317 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.803 -8.559 8.663 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.787 -6.634 7.704 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.410 -6.015 10.224 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.670 -4.293 6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.291 -3.672 9.494 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.925 -2.806 7.867 1.00 0.00 H new ATOM 442 N GLU A 30 -3.533 -9.547 11.965 1.00 0.00 N ATOM 443 CA GLU A 30 -3.472 -10.712 12.840 1.00 0.00 C ATOM 444 C GLU A 30 -4.697 -11.601 12.648 1.00 0.00 C ATOM 445 O GLU A 30 -4.711 -12.756 13.074 1.00 0.00 O ATOM 446 CB GLU A 30 -3.370 -10.274 14.302 1.00 0.00 C ATOM 447 CG GLU A 30 -2.137 -9.437 14.602 1.00 0.00 C ATOM 448 CD GLU A 30 -1.671 -9.580 16.038 1.00 0.00 C ATOM 449 OE1 GLU A 30 -2.222 -10.437 16.759 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.754 -8.833 16.440 1.00 0.00 O ATOM 0 H GLU A 30 -3.585 -8.654 12.454 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.583 -11.286 12.577 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.260 -9.702 14.564 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.362 -11.159 14.938 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.330 -9.732 13.931 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.355 -8.389 14.397 1.00 0.00 H new ATOM 457 N ASP A 31 -5.723 -11.055 12.005 1.00 0.00 N ATOM 458 CA ASP A 31 -6.953 -11.798 11.756 1.00 0.00 C ATOM 459 C ASP A 31 -6.950 -12.400 10.355 1.00 0.00 C ATOM 460 O ASP A 31 -7.566 -13.438 10.113 1.00 0.00 O ATOM 461 CB ASP A 31 -8.169 -10.886 11.930 1.00 0.00 C ATOM 462 CG ASP A 31 -9.459 -11.666 12.088 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.861 -12.348 11.123 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.068 -11.593 13.176 1.00 0.00 O ATOM 0 H ASP A 31 -5.728 -10.100 11.647 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.011 -12.610 12.481 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.022 -10.252 12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.251 -10.225 11.067 1.00 0.00 H new ATOM 469 N ASP A 32 -6.253 -11.742 9.435 1.00 0.00 N ATOM 470 CA ASP A 32 -6.169 -12.212 8.057 1.00 0.00 C ATOM 471 C ASP A 32 -5.161 -11.388 7.262 1.00 0.00 C ATOM 472 O ASP A 32 -5.063 -10.170 7.411 1.00 0.00 O ATOM 473 CB ASP A 32 -7.543 -12.145 7.389 1.00 0.00 C ATOM 474 CG ASP A 32 -8.330 -13.430 7.551 1.00 0.00 C ATOM 475 OD1 ASP A 32 -7.792 -14.503 7.204 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.483 -13.364 8.025 1.00 0.00 O ATOM 0 H ASP A 32 -5.738 -10.881 9.619 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.831 -13.248 8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.111 -11.318 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.417 -11.931 6.328 1.00 0.00 H new ATOM 481 N PRO A 33 -4.393 -12.066 6.397 1.00 0.00 N ATOM 482 CA PRO A 33 -3.379 -11.417 5.561 1.00 0.00 C ATOM 483 C PRO A 33 -3.996 -10.540 4.477 1.00 0.00 C ATOM 484 O PRO A 33 -3.474 -9.471 4.157 1.00 0.00 O ATOM 485 CB PRO A 33 -2.629 -12.595 4.933 1.00 0.00 C ATOM 486 CG PRO A 33 -3.612 -13.715 4.938 1.00 0.00 C ATOM 487 CD PRO A 33 -4.456 -13.519 6.167 1.00 0.00 C ATOM 0 HA PRO A 33 -2.742 -10.748 6.139 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.301 -12.361 3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.737 -12.848 5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.225 -13.700 4.037 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.105 -14.679 4.963 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.480 -13.857 6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.064 -14.078 7.017 1.00 0.00 H new ATOM 495 N LEU A 34 -5.109 -10.997 3.915 1.00 0.00 N ATOM 496 CA LEU A 34 -5.798 -10.253 2.867 1.00 0.00 C ATOM 497 C LEU A 34 -5.782 -8.756 3.161 1.00 0.00 C ATOM 498 O LEU A 34 -5.451 -7.946 2.295 1.00 0.00 O ATOM 499 CB LEU A 34 -7.241 -10.742 2.731 1.00 0.00 C ATOM 500 CG LEU A 34 -7.443 -12.017 1.911 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.492 -11.694 0.426 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.338 -13.021 2.205 1.00 0.00 C ATOM 0 H LEU A 34 -5.554 -11.879 4.168 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.272 -10.426 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.643 -10.909 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.832 -9.946 2.279 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.396 -12.463 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.636 -12.613 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.319 -11.012 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.556 -11.225 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.498 -13.922 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.373 -12.585 1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.351 -13.276 3.265 1.00 0.00 H new ATOM 514 N VAL A 35 -6.141 -8.395 4.389 1.00 0.00 N ATOM 515 CA VAL A 35 -6.164 -6.996 4.799 1.00 0.00 C ATOM 516 C VAL A 35 -4.927 -6.257 4.302 1.00 0.00 C ATOM 517 O VAL A 35 -5.032 -5.259 3.587 1.00 0.00 O ATOM 518 CB VAL A 35 -6.249 -6.862 6.331 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.207 -5.398 6.741 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.507 -7.536 6.856 1.00 0.00 C ATOM 0 H VAL A 35 -6.420 -9.052 5.117 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.053 -6.550 4.353 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.387 -7.363 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.268 -5.322 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.274 -4.951 6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.049 -4.870 6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.550 -7.431 7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.384 -7.067 6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.489 -8.594 6.594 1.00 0.00 H new ATOM 530 N LEU A 36 -3.755 -6.753 4.684 1.00 0.00 N ATOM 531 CA LEU A 36 -2.496 -6.140 4.276 1.00 0.00 C ATOM 532 C LEU A 36 -2.301 -6.247 2.767 1.00 0.00 C ATOM 533 O LEU A 36 -1.746 -5.348 2.138 1.00 0.00 O ATOM 534 CB LEU A 36 -1.325 -6.804 5.002 1.00 0.00 C ATOM 535 CG LEU A 36 -0.032 -5.990 5.077 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.200 -4.809 6.020 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.127 -6.870 5.521 1.00 0.00 C ATOM 0 H LEU A 36 -3.651 -7.578 5.275 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.531 -5.084 4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.641 -7.041 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.107 -7.750 4.507 1.00 0.00 H new ATOM 0 HG LEU A 36 0.192 -5.605 4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.729 -4.241 6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.002 -4.166 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.448 -5.172 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.039 -6.274 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.912 -7.285 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.261 -7.682 4.807 1.00 0.00 H new ATOM 549 N ASN A 37 -2.764 -7.353 2.193 1.00 0.00 N ATOM 550 CA ASN A 37 -2.642 -7.577 0.757 1.00 0.00 C ATOM 551 C ASN A 37 -3.383 -6.498 -0.027 1.00 0.00 C ATOM 552 O ASN A 37 -2.775 -5.733 -0.775 1.00 0.00 O ATOM 553 CB ASN A 37 -3.188 -8.957 0.387 1.00 0.00 C ATOM 554 CG ASN A 37 -2.156 -10.054 0.568 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.037 -9.958 0.063 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.530 -11.104 1.290 1.00 0.00 N ATOM 0 H ASN A 37 -3.227 -8.108 2.700 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.585 -7.530 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.060 -9.177 1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.525 -8.946 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.879 -11.874 1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.468 -11.140 1.689 1.00 0.00 H new ATOM 563 N GLU A 38 -4.699 -6.443 0.152 1.00 0.00 N ATOM 564 CA GLU A 38 -5.523 -5.457 -0.539 1.00 0.00 C ATOM 565 C GLU A 38 -5.011 -4.043 -0.280 1.00 0.00 C ATOM 566 O GLU A 38 -4.962 -3.214 -1.188 1.00 0.00 O ATOM 567 CB GLU A 38 -6.981 -5.574 -0.090 1.00 0.00 C ATOM 568 CG GLU A 38 -7.143 -6.124 1.317 1.00 0.00 C ATOM 569 CD GLU A 38 -8.364 -5.569 2.023 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.481 -6.054 1.746 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.203 -4.650 2.853 1.00 0.00 O ATOM 0 H GLU A 38 -5.217 -7.069 0.769 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.463 -5.656 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.448 -4.591 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.516 -6.219 -0.787 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.216 -7.211 1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.253 -5.889 1.900 1.00 0.00 H new ATOM 578 N ILE A 39 -4.633 -3.776 0.966 1.00 0.00 N ATOM 579 CA ILE A 39 -4.126 -2.463 1.345 1.00 0.00 C ATOM 580 C ILE A 39 -2.842 -2.132 0.590 1.00 0.00 C ATOM 581 O ILE A 39 -2.757 -1.109 -0.090 1.00 0.00 O ATOM 582 CB ILE A 39 -3.854 -2.380 2.858 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.173 -2.328 3.633 1.00 0.00 C ATOM 584 CG2 ILE A 39 -2.999 -1.163 3.177 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.004 -2.503 5.126 1.00 0.00 C ATOM 0 H ILE A 39 -4.668 -4.451 1.730 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.897 -1.738 1.083 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.309 -3.273 3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.661 -1.372 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.837 -3.106 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.816 -1.118 4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.048 -1.238 2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.520 -0.259 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.979 -2.455 5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.545 -3.470 5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.366 -1.710 5.515 1.00 0.00 H new ATOM 597 N ARG A 40 -1.848 -3.004 0.714 1.00 0.00 N ATOM 598 CA ARG A 40 -0.568 -2.804 0.044 1.00 0.00 C ATOM 599 C ARG A 40 -0.770 -2.542 -1.446 1.00 0.00 C ATOM 600 O ARG A 40 -0.379 -1.495 -1.959 1.00 0.00 O ATOM 601 CB ARG A 40 0.331 -4.026 0.240 1.00 0.00 C ATOM 602 CG ARG A 40 1.807 -3.738 0.019 1.00 0.00 C ATOM 603 CD ARG A 40 2.554 -4.981 -0.439 1.00 0.00 C ATOM 604 NE ARG A 40 3.948 -4.973 -0.004 1.00 0.00 N ATOM 605 CZ ARG A 40 4.889 -5.745 -0.536 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.586 -6.583 -1.518 1.00 0.00 N ATOM 607 NH2 ARG A 40 6.136 -5.680 -0.086 1.00 0.00 N ATOM 0 H ARG A 40 -1.904 -3.856 1.272 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.086 -1.932 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.192 -4.411 1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.016 -4.812 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.918 -2.950 -0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.249 -3.366 0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.057 -5.868 -0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.514 -5.048 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 40 4.214 -4.340 0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.629 -6.636 -1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.310 -7.175 -1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.373 -5.037 0.669 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.858 -6.273 -0.495 1.00 0.00 H new ATOM 621 N GLU A 41 -1.383 -3.501 -2.132 1.00 0.00 N ATOM 622 CA GLU A 41 -1.636 -3.374 -3.563 1.00 0.00 C ATOM 623 C GLU A 41 -2.411 -2.095 -3.867 1.00 0.00 C ATOM 624 O GLU A 41 -2.173 -1.438 -4.881 1.00 0.00 O ATOM 625 CB GLU A 41 -2.412 -4.588 -4.077 1.00 0.00 C ATOM 626 CG GLU A 41 -3.920 -4.410 -4.031 1.00 0.00 C ATOM 627 CD GLU A 41 -4.666 -5.727 -4.123 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.205 -6.714 -3.513 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.711 -5.770 -4.805 1.00 0.00 O ATOM 0 H GLU A 41 -1.714 -4.374 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.674 -3.325 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.110 -4.794 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.139 -5.461 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.194 -3.905 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.231 -3.763 -4.851 1.00 0.00 H new ATOM 636 N ASP A 42 -3.339 -1.748 -2.982 1.00 0.00 N ATOM 637 CA ASP A 42 -4.149 -0.548 -3.154 1.00 0.00 C ATOM 638 C ASP A 42 -3.268 0.691 -3.268 1.00 0.00 C ATOM 639 O ASP A 42 -3.479 1.539 -4.136 1.00 0.00 O ATOM 640 CB ASP A 42 -5.122 -0.392 -1.984 1.00 0.00 C ATOM 641 CG ASP A 42 -6.460 -1.053 -2.250 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.817 -1.212 -3.436 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.150 -1.411 -1.273 1.00 0.00 O ATOM 0 H ASP A 42 -3.549 -2.281 -2.138 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.718 -0.653 -4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.679 -0.824 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.277 0.668 -1.784 1.00 0.00 H new ATOM 648 N LEU A 43 -2.279 0.791 -2.386 1.00 0.00 N ATOM 649 CA LEU A 43 -1.365 1.928 -2.387 1.00 0.00 C ATOM 650 C LEU A 43 -0.530 1.954 -3.663 1.00 0.00 C ATOM 651 O LEU A 43 -0.132 3.020 -4.134 1.00 0.00 O ATOM 652 CB LEU A 43 -0.448 1.871 -1.164 1.00 0.00 C ATOM 653 CG LEU A 43 -0.931 2.629 0.073 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.086 2.516 1.199 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.195 4.089 -0.264 1.00 0.00 C ATOM 0 H LEU A 43 -2.090 0.099 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.959 2.841 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.304 0.826 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.528 2.264 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.866 2.180 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.275 3.061 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.225 1.467 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.037 2.939 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.538 4.612 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.276 4.551 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.960 4.151 -1.038 1.00 0.00 H new ATOM 667 N ARG A 44 -0.270 0.775 -4.218 1.00 0.00 N ATOM 668 CA ARG A 44 0.517 0.663 -5.440 1.00 0.00 C ATOM 669 C ARG A 44 -0.328 1.002 -6.664 1.00 0.00 C ATOM 670 O ARG A 44 0.181 1.513 -7.662 1.00 0.00 O ATOM 671 CB ARG A 44 1.088 -0.749 -5.577 1.00 0.00 C ATOM 672 CG ARG A 44 2.418 -0.800 -6.309 1.00 0.00 C ATOM 673 CD ARG A 44 3.043 -2.185 -6.234 1.00 0.00 C ATOM 674 NE ARG A 44 4.159 -2.333 -7.164 1.00 0.00 N ATOM 675 CZ ARG A 44 4.744 -3.496 -7.431 1.00 0.00 C ATOM 676 NH1 ARG A 44 4.321 -4.605 -6.842 1.00 0.00 N ATOM 677 NH2 ARG A 44 5.754 -3.550 -8.290 1.00 0.00 N ATOM 0 H ARG A 44 -0.593 -0.116 -3.841 1.00 0.00 H new ATOM 0 HA ARG A 44 1.339 1.376 -5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.213 -1.179 -4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.368 -1.373 -6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.271 -0.522 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.100 -0.068 -5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.391 -2.371 -5.218 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.285 -2.937 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 44 4.509 -1.498 -7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.544 -4.567 -6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.772 -5.496 -7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.082 -2.698 -8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.202 -4.443 -8.494 1.00 0.00 H new ATOM 691 N VAL A 45 -1.624 0.715 -6.581 1.00 0.00 N ATOM 692 CA VAL A 45 -2.540 0.989 -7.681 1.00 0.00 C ATOM 693 C VAL A 45 -3.082 2.412 -7.602 1.00 0.00 C ATOM 694 O VAL A 45 -3.504 2.982 -8.608 1.00 0.00 O ATOM 695 CB VAL A 45 -3.722 0.002 -7.686 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.256 -1.392 -7.293 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.825 0.486 -6.757 1.00 0.00 C ATOM 0 H VAL A 45 -2.063 0.293 -5.763 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.972 0.869 -8.604 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.126 -0.048 -8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.105 -2.076 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.504 -1.738 -8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.825 -1.363 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.652 -0.224 -6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.436 0.567 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.178 1.462 -7.089 1.00 0.00 H new ATOM 707 N GLU A 46 -3.066 2.981 -6.401 1.00 0.00 N ATOM 708 CA GLU A 46 -3.556 4.338 -6.192 1.00 0.00 C ATOM 709 C GLU A 46 -2.524 5.365 -6.647 1.00 0.00 C ATOM 710 O GLU A 46 -2.852 6.321 -7.352 1.00 0.00 O ATOM 711 CB GLU A 46 -3.896 4.560 -4.717 1.00 0.00 C ATOM 712 CG GLU A 46 -2.733 5.096 -3.898 1.00 0.00 C ATOM 713 CD GLU A 46 -3.144 5.496 -2.494 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.340 5.358 -2.165 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.269 5.948 -1.726 1.00 0.00 O ATOM 0 H GLU A 46 -2.719 2.523 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.459 4.466 -6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.731 5.257 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.230 3.617 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.953 4.337 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.303 5.959 -4.406 1.00 0.00 H new ATOM 722 N CYS A 47 -1.276 5.162 -6.240 1.00 0.00 N ATOM 723 CA CYS A 47 -0.195 6.071 -6.604 1.00 0.00 C ATOM 724 C CYS A 47 0.163 5.926 -8.079 1.00 0.00 C ATOM 725 O CYS A 47 0.816 6.794 -8.658 1.00 0.00 O ATOM 726 CB CYS A 47 1.038 5.804 -5.739 1.00 0.00 C ATOM 727 SG CYS A 47 0.830 6.251 -3.999 1.00 0.00 S ATOM 0 H CYS A 47 -0.988 4.376 -5.658 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.537 7.091 -6.430 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.292 4.746 -5.803 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.882 6.359 -6.147 1.00 0.00 H new ATOM 0 HG CYS A 47 1.639 7.224 -3.701 1.00 0.00 H new ATOM 733 N SER A 48 -0.267 4.822 -8.682 1.00 0.00 N ATOM 734 CA SER A 48 0.013 4.560 -10.089 1.00 0.00 C ATOM 735 C SER A 48 -0.912 5.375 -10.987 1.00 0.00 C ATOM 736 O SER A 48 -0.554 5.725 -12.112 1.00 0.00 O ATOM 737 CB SER A 48 -0.145 3.069 -10.393 1.00 0.00 C ATOM 738 OG SER A 48 -0.022 2.816 -11.782 1.00 0.00 O ATOM 0 H SER A 48 -0.811 4.094 -8.218 1.00 0.00 H new ATOM 0 HA SER A 48 1.042 4.857 -10.291 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.610 2.502 -9.849 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.118 2.724 -10.042 1.00 0.00 H new ATOM 0 HG SER A 48 0.548 3.501 -12.190 1.00 0.00 H new ATOM 744 N LYS A 49 -2.104 5.673 -10.483 1.00 0.00 N ATOM 745 CA LYS A 49 -3.083 6.447 -11.237 1.00 0.00 C ATOM 746 C LYS A 49 -2.430 7.662 -11.889 1.00 0.00 C ATOM 747 O LYS A 49 -2.698 7.976 -13.048 1.00 0.00 O ATOM 748 CB LYS A 49 -4.223 6.898 -10.321 1.00 0.00 C ATOM 749 CG LYS A 49 -4.894 5.755 -9.579 1.00 0.00 C ATOM 750 CD LYS A 49 -5.328 4.651 -10.528 1.00 0.00 C ATOM 751 CE LYS A 49 -6.219 3.635 -9.832 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.658 4.006 -9.921 1.00 0.00 N ATOM 0 H LYS A 49 -2.416 5.390 -9.554 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.487 5.808 -12.022 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.834 7.613 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.971 7.423 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.206 5.349 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.761 6.132 -9.037 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.862 5.086 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.448 4.149 -10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.069 2.653 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.929 3.555 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.232 3.288 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.806 4.932 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.942 4.058 -10.920 1.00 0.00 H new ATOM 766 N PHE A 50 -1.571 8.342 -11.136 1.00 0.00 N ATOM 767 CA PHE A 50 -0.879 9.522 -11.640 1.00 0.00 C ATOM 768 C PHE A 50 0.310 9.125 -12.509 1.00 0.00 C ATOM 769 O PHE A 50 0.662 9.826 -13.457 1.00 0.00 O ATOM 770 CB PHE A 50 -0.407 10.398 -10.478 1.00 0.00 C ATOM 771 CG PHE A 50 -1.390 10.472 -9.345 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.435 9.476 -8.383 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.268 11.538 -9.241 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.339 9.541 -7.340 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.175 11.609 -8.199 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.209 10.610 -7.247 1.00 0.00 C ATOM 0 H PHE A 50 -1.338 8.095 -10.174 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.580 10.090 -12.252 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.540 10.010 -10.102 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.214 11.405 -10.848 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.756 8.639 -8.449 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.244 12.323 -9.982 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.365 8.757 -6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.856 12.445 -8.130 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.914 10.664 -6.431 1.00 0.00 H new ATOM 786 N GLY A 51 0.927 7.995 -12.178 1.00 0.00 N ATOM 787 CA GLY A 51 2.071 7.524 -12.937 1.00 0.00 C ATOM 788 C GLY A 51 2.410 6.078 -12.636 1.00 0.00 C ATOM 789 O GLY A 51 1.720 5.165 -13.088 1.00 0.00 O ATOM 0 H GLY A 51 0.655 7.397 -11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.866 7.632 -14.002 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.934 8.151 -12.714 1.00 0.00 H new ATOM 793 N GLN A 52 3.478 5.869 -11.871 1.00 0.00 N ATOM 794 CA GLN A 52 3.908 4.523 -11.513 1.00 0.00 C ATOM 795 C GLN A 52 4.396 4.474 -10.069 1.00 0.00 C ATOM 796 O GLN A 52 4.380 5.483 -9.364 1.00 0.00 O ATOM 797 CB GLN A 52 5.018 4.052 -12.455 1.00 0.00 C ATOM 798 CG GLN A 52 4.519 3.670 -13.839 1.00 0.00 C ATOM 799 CD GLN A 52 5.645 3.289 -14.781 1.00 0.00 C ATOM 800 OE1 GLN A 52 5.795 2.123 -15.148 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.444 4.273 -15.177 1.00 0.00 N ATOM 0 H GLN A 52 4.060 6.614 -11.488 1.00 0.00 H new ATOM 0 HA GLN A 52 3.051 3.857 -11.611 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.762 4.843 -12.551 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.522 3.194 -12.010 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.824 2.835 -13.753 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.962 4.505 -14.264 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.283 5.225 -14.848 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.219 4.077 -15.810 1.00 0.00 H new ATOM 810 N ILE A 53 4.829 3.295 -9.635 1.00 0.00 N ATOM 811 CA ILE A 53 5.322 3.115 -8.276 1.00 0.00 C ATOM 812 C ILE A 53 6.755 2.594 -8.275 1.00 0.00 C ATOM 813 O ILE A 53 6.991 1.397 -8.436 1.00 0.00 O ATOM 814 CB ILE A 53 4.434 2.141 -7.479 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.978 2.252 -7.938 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.546 2.421 -5.988 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.372 3.617 -7.704 1.00 0.00 C ATOM 0 H ILE A 53 4.848 2.450 -10.206 1.00 0.00 H new ATOM 0 HA ILE A 53 5.293 4.094 -7.798 1.00 0.00 H new ATOM 0 HB ILE A 53 4.779 1.124 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.922 2.016 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.383 1.505 -7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.913 1.725 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.582 2.297 -5.671 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.224 3.442 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.340 3.621 -8.053 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.396 3.848 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.943 4.367 -8.251 1.00 0.00 H new ATOM 829 N ARG A 54 7.708 3.502 -8.090 1.00 0.00 N ATOM 830 CA ARG A 54 9.119 3.134 -8.068 1.00 0.00 C ATOM 831 C ARG A 54 9.420 2.206 -6.894 1.00 0.00 C ATOM 832 O ARG A 54 10.299 1.348 -6.977 1.00 0.00 O ATOM 833 CB ARG A 54 9.993 4.387 -7.978 1.00 0.00 C ATOM 834 CG ARG A 54 10.161 5.108 -9.305 1.00 0.00 C ATOM 835 CD ARG A 54 11.210 4.436 -10.176 1.00 0.00 C ATOM 836 NE ARG A 54 10.707 3.212 -10.794 1.00 0.00 N ATOM 837 CZ ARG A 54 9.992 3.194 -11.914 1.00 0.00 C ATOM 838 NH1 ARG A 54 9.699 4.328 -12.535 1.00 0.00 N ATOM 839 NH2 ARG A 54 9.570 2.040 -12.414 1.00 0.00 N ATOM 0 H ARG A 54 7.529 4.497 -7.953 1.00 0.00 H new ATOM 0 HA ARG A 54 9.346 2.606 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.555 5.074 -7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.976 4.108 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.207 5.128 -9.832 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.447 6.144 -9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.533 5.128 -10.954 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.087 4.203 -9.572 1.00 0.00 H new ATOM 0 HE ARG A 54 10.916 2.322 -10.341 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.023 5.217 -12.153 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.150 4.312 -13.395 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.794 1.166 -11.939 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.021 2.027 -13.274 1.00 0.00 H new ATOM 853 N LYS A 55 8.685 2.385 -5.802 1.00 0.00 N ATOM 854 CA LYS A 55 8.872 1.564 -4.611 1.00 0.00 C ATOM 855 C LYS A 55 7.685 1.703 -3.663 1.00 0.00 C ATOM 856 O LYS A 55 7.199 2.809 -3.419 1.00 0.00 O ATOM 857 CB LYS A 55 10.163 1.959 -3.891 1.00 0.00 C ATOM 858 CG LYS A 55 10.377 1.225 -2.579 1.00 0.00 C ATOM 859 CD LYS A 55 11.163 -0.060 -2.781 1.00 0.00 C ATOM 860 CE LYS A 55 10.240 -1.245 -3.023 1.00 0.00 C ATOM 861 NZ LYS A 55 10.952 -2.379 -3.674 1.00 0.00 N ATOM 0 H LYS A 55 7.954 3.091 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 55 8.943 0.523 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.010 1.764 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.148 3.032 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.909 1.872 -1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.412 0.995 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.839 0.055 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.781 -0.252 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.819 -1.577 -2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.405 -0.933 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.289 -3.166 -3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.332 -2.070 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.733 -2.694 -3.064 1.00 0.00 H new ATOM 875 N LEU A 56 7.225 0.577 -3.129 1.00 0.00 N ATOM 876 CA LEU A 56 6.096 0.574 -2.205 1.00 0.00 C ATOM 877 C LEU A 56 6.384 -0.310 -0.996 1.00 0.00 C ATOM 878 O LEU A 56 6.704 -1.491 -1.139 1.00 0.00 O ATOM 879 CB LEU A 56 4.831 0.090 -2.916 1.00 0.00 C ATOM 880 CG LEU A 56 3.504 0.473 -2.260 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.006 1.803 -2.803 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.466 -0.617 -2.480 1.00 0.00 C ATOM 0 H LEU A 56 7.616 -0.345 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 56 5.941 1.595 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.837 0.482 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.875 -0.996 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 56 3.668 0.579 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.061 2.060 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.741 2.580 -2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.858 1.724 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.528 -0.327 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.305 -0.756 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.820 -1.550 -2.043 1.00 0.00 H new ATOM 894 N LEU A 57 6.267 0.268 0.194 1.00 0.00 N ATOM 895 CA LEU A 57 6.513 -0.468 1.430 1.00 0.00 C ATOM 896 C LEU A 57 5.438 -0.163 2.468 1.00 0.00 C ATOM 897 O LEU A 57 5.089 0.996 2.695 1.00 0.00 O ATOM 898 CB LEU A 57 7.892 -0.117 1.990 1.00 0.00 C ATOM 899 CG LEU A 57 8.998 0.110 0.958 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.127 0.934 1.558 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.523 -1.220 0.438 1.00 0.00 C ATOM 0 H LEU A 57 6.003 1.244 0.330 1.00 0.00 H new ATOM 0 HA LEU A 57 6.481 -1.533 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.797 0.784 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.205 -0.919 2.658 1.00 0.00 H new ATOM 0 HG LEU A 57 8.578 0.665 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.905 1.085 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.740 1.901 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.546 0.407 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.309 -1.039 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.927 -1.801 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.710 -1.774 -0.031 1.00 0.00 H new ATOM 913 N LEU A 58 4.917 -1.211 3.097 1.00 0.00 N ATOM 914 CA LEU A 58 3.882 -1.056 4.114 1.00 0.00 C ATOM 915 C LEU A 58 4.436 -1.353 5.504 1.00 0.00 C ATOM 916 O LEU A 58 4.883 -2.466 5.780 1.00 0.00 O ATOM 917 CB LEU A 58 2.702 -1.982 3.814 1.00 0.00 C ATOM 918 CG LEU A 58 1.321 -1.460 4.213 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.227 -2.294 3.564 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.168 -1.462 5.727 1.00 0.00 C ATOM 0 H LEU A 58 5.194 -2.177 2.921 1.00 0.00 H new ATOM 0 HA LEU A 58 3.539 -0.022 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.694 -2.192 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.871 -2.930 4.324 1.00 0.00 H new ATOM 0 HG LEU A 58 1.225 -0.434 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.749 -1.908 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.325 -2.242 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.320 -3.331 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.180 -1.088 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.284 -2.478 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.930 -0.821 6.171 1.00 0.00 H new ATOM 932 N PHE A 59 4.400 -0.351 6.376 1.00 0.00 N ATOM 933 CA PHE A 59 4.897 -0.505 7.738 1.00 0.00 C ATOM 934 C PHE A 59 3.795 -1.009 8.665 1.00 0.00 C ATOM 935 O PHE A 59 3.289 -0.266 9.506 1.00 0.00 O ATOM 936 CB PHE A 59 5.447 0.825 8.256 1.00 0.00 C ATOM 937 CG PHE A 59 6.333 1.533 7.271 1.00 0.00 C ATOM 938 CD1 PHE A 59 7.287 0.832 6.550 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.212 2.897 7.066 1.00 0.00 C ATOM 940 CE1 PHE A 59 8.104 1.480 5.643 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.026 3.550 6.159 1.00 0.00 C ATOM 942 CZ PHE A 59 7.974 2.841 5.448 1.00 0.00 C ATOM 0 H PHE A 59 4.032 0.576 6.164 1.00 0.00 H new ATOM 0 HA PHE A 59 5.701 -1.241 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.613 1.477 8.516 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.008 0.644 9.173 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.393 -0.232 6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.474 3.457 7.621 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.843 0.923 5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.920 4.614 6.007 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.612 3.350 4.741 1.00 0.00 H new ATOM 952 N ASP A 60 3.428 -2.275 8.505 1.00 0.00 N ATOM 953 CA ASP A 60 2.386 -2.880 9.327 1.00 0.00 C ATOM 954 C ASP A 60 2.644 -2.620 10.808 1.00 0.00 C ATOM 955 O ASP A 60 1.711 -2.409 11.583 1.00 0.00 O ATOM 956 CB ASP A 60 2.310 -4.385 9.066 1.00 0.00 C ATOM 957 CG ASP A 60 1.880 -5.164 10.293 1.00 0.00 C ATOM 958 OD1 ASP A 60 1.056 -4.639 11.072 1.00 0.00 O ATOM 959 OD2 ASP A 60 2.365 -6.300 10.475 1.00 0.00 O ATOM 0 H ASP A 60 3.837 -2.903 7.813 1.00 0.00 H new ATOM 0 HA ASP A 60 1.433 -2.424 9.057 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.608 -4.575 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.285 -4.743 8.735 1.00 0.00 H new ATOM 964 N ARG A 61 3.916 -2.640 11.194 1.00 0.00 N ATOM 965 CA ARG A 61 4.296 -2.409 12.583 1.00 0.00 C ATOM 966 C ARG A 61 3.563 -1.198 13.153 1.00 0.00 C ATOM 967 O ARG A 61 2.830 -1.309 14.136 1.00 0.00 O ATOM 968 CB ARG A 61 5.808 -2.202 12.692 1.00 0.00 C ATOM 969 CG ARG A 61 6.594 -3.498 12.796 1.00 0.00 C ATOM 970 CD ARG A 61 6.507 -4.307 11.511 1.00 0.00 C ATOM 971 NE ARG A 61 7.681 -5.154 11.318 1.00 0.00 N ATOM 972 CZ ARG A 61 7.930 -5.819 10.195 1.00 0.00 C ATOM 973 NH1 ARG A 61 7.092 -5.735 9.171 1.00 0.00 N ATOM 974 NH2 ARG A 61 9.020 -6.570 10.095 1.00 0.00 N ATOM 0 H ARG A 61 4.700 -2.814 10.565 1.00 0.00 H new ATOM 0 HA ARG A 61 4.014 -3.288 13.162 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.154 -1.646 11.820 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.020 -1.587 13.567 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.638 -3.275 13.017 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.212 -4.091 13.627 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.611 -4.928 11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.405 -3.630 10.663 1.00 0.00 H new ATOM 0 HE ARG A 61 8.346 -5.240 12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.254 -5.159 9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.286 -6.247 8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.667 -6.637 10.881 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.210 -7.080 9.233 1.00 0.00 H new ATOM 988 N HIS A 62 3.768 -0.041 12.530 1.00 0.00 N ATOM 989 CA HIS A 62 3.126 1.191 12.975 1.00 0.00 C ATOM 990 C HIS A 62 1.622 0.994 13.132 1.00 0.00 C ATOM 991 O HIS A 62 0.907 0.698 12.174 1.00 0.00 O ATOM 992 CB HIS A 62 3.404 2.322 11.985 1.00 0.00 C ATOM 993 CG HIS A 62 3.735 3.626 12.642 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.965 4.181 13.643 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.760 4.486 12.438 1.00 0.00 C ATOM 996 CE1 HIS A 62 3.502 5.326 14.025 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.592 5.534 13.310 1.00 0.00 N ATOM 0 H HIS A 62 4.373 0.069 11.716 1.00 0.00 H new ATOM 0 HA HIS A 62 3.542 1.458 13.946 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.231 2.031 11.337 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.531 2.458 11.347 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.561 4.370 11.723 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.115 5.981 14.792 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.209 6.342 13.392 1.00 0.00 H new ATOM 1005 N PRO A 63 1.128 1.162 14.368 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.296 1.007 14.679 1.00 0.00 C ATOM 1007 C PRO A 63 -1.144 2.126 14.082 1.00 0.00 C ATOM 1008 O PRO A 63 -2.370 2.027 14.030 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.334 1.066 16.208 1.00 0.00 C ATOM 1010 CG PRO A 63 0.878 1.845 16.587 1.00 0.00 C ATOM 1011 CD PRO A 63 1.922 1.515 15.556 1.00 0.00 C ATOM 0 HA PRO A 63 -0.706 0.086 14.264 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.243 1.551 16.563 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.315 0.067 16.643 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.666 2.914 16.600 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.218 1.576 17.587 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.579 2.363 15.363 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.556 0.688 15.876 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.484 3.188 13.634 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.178 4.324 13.039 1.00 0.00 C ATOM 1021 C ASP A 64 -1.210 4.206 11.519 1.00 0.00 C ATOM 1022 O ASP A 64 -1.261 5.210 10.809 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.500 5.633 13.448 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.472 6.796 13.502 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -2.286 6.846 14.448 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -1.417 7.656 12.599 1.00 0.00 O ATOM 0 H ASP A 64 0.531 3.286 13.672 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.204 4.325 13.406 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.034 5.507 14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.297 5.862 12.741 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.179 2.972 11.025 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.204 2.746 9.592 1.00 0.00 C ATOM 1033 C GLY A 65 -0.287 3.691 8.840 1.00 0.00 C ATOM 1034 O GLY A 65 -0.709 4.763 8.406 1.00 0.00 O ATOM 0 H GLY A 65 -1.137 2.125 11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.910 1.717 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.224 2.866 9.226 1.00 0.00 H new ATOM 1038 N VAL A 66 0.972 3.293 8.686 1.00 0.00 N ATOM 1039 CA VAL A 66 1.951 4.112 7.982 1.00 0.00 C ATOM 1040 C VAL A 66 2.567 3.350 6.813 1.00 0.00 C ATOM 1041 O VAL A 66 3.015 2.214 6.967 1.00 0.00 O ATOM 1042 CB VAL A 66 3.076 4.578 8.925 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.127 5.364 8.157 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.504 5.410 10.064 1.00 0.00 C ATOM 0 H VAL A 66 1.338 2.409 9.039 1.00 0.00 H new ATOM 0 HA VAL A 66 1.419 4.985 7.604 1.00 0.00 H new ATOM 0 HB VAL A 66 3.556 3.698 9.352 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.913 5.684 8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.557 4.733 7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.665 6.239 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.312 5.731 10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.998 6.285 9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.792 4.810 10.631 1.00 0.00 H new ATOM 1054 N ALA A 67 2.586 3.984 5.645 1.00 0.00 N ATOM 1055 CA ALA A 67 3.149 3.367 4.451 1.00 0.00 C ATOM 1056 C ALA A 67 4.118 4.312 3.749 1.00 0.00 C ATOM 1057 O ALA A 67 4.184 5.498 4.070 1.00 0.00 O ATOM 1058 CB ALA A 67 2.037 2.947 3.500 1.00 0.00 C ATOM 0 H ALA A 67 2.218 4.924 5.501 1.00 0.00 H new ATOM 0 HA ALA A 67 3.705 2.481 4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.472 2.488 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.385 2.229 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.457 3.823 3.208 1.00 0.00 H new ATOM 1064 N SER A 68 4.869 3.778 2.791 1.00 0.00 N ATOM 1065 CA SER A 68 5.839 4.574 2.048 1.00 0.00 C ATOM 1066 C SER A 68 5.734 4.298 0.551 1.00 0.00 C ATOM 1067 O SER A 68 6.026 3.195 0.089 1.00 0.00 O ATOM 1068 CB SER A 68 7.258 4.273 2.535 1.00 0.00 C ATOM 1069 OG SER A 68 7.674 2.981 2.127 1.00 0.00 O ATOM 0 H SER A 68 4.824 2.798 2.511 1.00 0.00 H new ATOM 0 HA SER A 68 5.618 5.627 2.223 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.947 5.021 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.296 4.344 3.622 1.00 0.00 H new ATOM 0 HG SER A 68 7.273 2.767 1.259 1.00 0.00 H new ATOM 1075 N VAL A 69 5.313 5.310 -0.203 1.00 0.00 N ATOM 1076 CA VAL A 69 5.170 5.179 -1.648 1.00 0.00 C ATOM 1077 C VAL A 69 6.146 6.091 -2.382 1.00 0.00 C ATOM 1078 O VAL A 69 5.965 7.308 -2.421 1.00 0.00 O ATOM 1079 CB VAL A 69 3.736 5.509 -2.101 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.460 4.916 -3.475 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.725 5.004 -1.082 1.00 0.00 C ATOM 0 H VAL A 69 5.065 6.229 0.164 1.00 0.00 H new ATOM 0 HA VAL A 69 5.392 4.141 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 69 3.637 6.592 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.442 5.160 -3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.163 5.330 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.577 3.833 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.717 5.246 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.823 3.923 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.910 5.480 -0.119 1.00 0.00 H new ATOM 1091 N SER A 70 7.182 5.494 -2.964 1.00 0.00 N ATOM 1092 CA SER A 70 8.189 6.254 -3.695 1.00 0.00 C ATOM 1093 C SER A 70 7.672 6.657 -5.072 1.00 0.00 C ATOM 1094 O SER A 70 6.848 5.963 -5.666 1.00 0.00 O ATOM 1095 CB SER A 70 9.472 5.432 -3.840 1.00 0.00 C ATOM 1096 OG SER A 70 10.565 6.253 -4.212 1.00 0.00 O ATOM 0 H SER A 70 7.345 4.487 -2.943 1.00 0.00 H new ATOM 0 HA SER A 70 8.407 7.160 -3.129 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.694 4.930 -2.898 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.326 4.654 -4.589 1.00 0.00 H new ATOM 0 HG SER A 70 11.373 5.704 -4.296 1.00 0.00 H new ATOM 1102 N PHE A 71 8.163 7.786 -5.573 1.00 0.00 N ATOM 1103 CA PHE A 71 7.750 8.285 -6.880 1.00 0.00 C ATOM 1104 C PHE A 71 8.963 8.657 -7.728 1.00 0.00 C ATOM 1105 O PHE A 71 9.957 9.173 -7.216 1.00 0.00 O ATOM 1106 CB PHE A 71 6.834 9.500 -6.720 1.00 0.00 C ATOM 1107 CG PHE A 71 5.424 9.142 -6.344 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.091 8.878 -5.026 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.433 9.070 -7.309 1.00 0.00 C ATOM 1110 CE1 PHE A 71 3.795 8.547 -4.677 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.135 8.741 -6.967 1.00 0.00 C ATOM 1112 CZ PHE A 71 2.815 8.480 -5.649 1.00 0.00 C ATOM 0 H PHE A 71 8.847 8.372 -5.094 1.00 0.00 H new ATOM 0 HA PHE A 71 7.203 7.491 -7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.249 10.160 -5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.821 10.061 -7.654 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.853 8.931 -4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.678 9.273 -8.341 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.549 8.341 -3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.372 8.688 -7.729 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.801 8.224 -5.379 1.00 0.00 H new ATOM 1122 N ARG A 72 8.874 8.390 -9.027 1.00 0.00 N ATOM 1123 CA ARG A 72 9.964 8.694 -9.946 1.00 0.00 C ATOM 1124 C ARG A 72 9.957 10.172 -10.327 1.00 0.00 C ATOM 1125 O ARG A 72 10.930 10.888 -10.092 1.00 0.00 O ATOM 1126 CB ARG A 72 9.854 7.832 -11.205 1.00 0.00 C ATOM 1127 CG ARG A 72 10.748 8.297 -12.342 1.00 0.00 C ATOM 1128 CD ARG A 72 12.213 8.010 -12.053 1.00 0.00 C ATOM 1129 NE ARG A 72 12.611 6.682 -12.509 1.00 0.00 N ATOM 1130 CZ ARG A 72 13.871 6.262 -12.542 1.00 0.00 C ATOM 1131 NH1 ARG A 72 14.850 7.064 -12.145 1.00 0.00 N ATOM 1132 NH2 ARG A 72 14.154 5.039 -12.970 1.00 0.00 N ATOM 0 H ARG A 72 8.058 7.964 -9.467 1.00 0.00 H new ATOM 0 HA ARG A 72 10.904 8.470 -9.442 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.107 6.802 -10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.818 7.832 -11.545 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.454 7.798 -13.265 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.610 9.367 -12.500 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.833 8.762 -12.542 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.394 8.095 -10.982 1.00 0.00 H new ATOM 0 HE ARG A 72 11.881 6.041 -12.820 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.636 8.005 -11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.817 6.740 -12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.404 4.419 -13.275 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.122 4.719 -12.995 1.00 0.00 H new ATOM 1146 N ASP A 73 8.854 10.620 -10.917 1.00 0.00 N ATOM 1147 CA ASP A 73 8.720 12.012 -11.330 1.00 0.00 C ATOM 1148 C ASP A 73 8.243 12.880 -10.170 1.00 0.00 C ATOM 1149 O ASP A 73 7.320 12.526 -9.436 1.00 0.00 O ATOM 1150 CB ASP A 73 7.745 12.127 -12.503 1.00 0.00 C ATOM 1151 CG ASP A 73 8.131 11.235 -13.666 1.00 0.00 C ATOM 1152 OD1 ASP A 73 9.209 11.462 -14.256 1.00 0.00 O ATOM 1153 OD2 ASP A 73 7.357 10.309 -13.987 1.00 0.00 O ATOM 0 H ASP A 73 8.040 10.040 -11.120 1.00 0.00 H new ATOM 0 HA ASP A 73 9.701 12.367 -11.646 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.742 11.865 -12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.707 13.163 -12.840 1.00 0.00 H new ATOM 1158 N PRO A 74 8.887 14.044 -9.998 1.00 0.00 N ATOM 1159 CA PRO A 74 8.546 14.987 -8.928 1.00 0.00 C ATOM 1160 C PRO A 74 7.194 15.655 -9.152 1.00 0.00 C ATOM 1161 O PRO A 74 6.508 16.022 -8.200 1.00 0.00 O ATOM 1162 CB PRO A 74 9.672 16.022 -8.995 1.00 0.00 C ATOM 1163 CG PRO A 74 10.158 15.961 -10.402 1.00 0.00 C ATOM 1164 CD PRO A 74 9.996 14.531 -10.835 1.00 0.00 C ATOM 0 HA PRO A 74 8.461 14.492 -7.961 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.309 17.019 -8.744 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.469 15.786 -8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.583 16.630 -11.043 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.200 16.273 -10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.761 14.457 -11.897 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.907 13.956 -10.670 1.00 0.00 H new ATOM 1172 N GLU A 75 6.818 15.809 -10.418 1.00 0.00 N ATOM 1173 CA GLU A 75 5.547 16.433 -10.766 1.00 0.00 C ATOM 1174 C GLU A 75 4.374 15.572 -10.308 1.00 0.00 C ATOM 1175 O GLU A 75 3.361 16.087 -9.835 1.00 0.00 O ATOM 1176 CB GLU A 75 5.465 16.666 -12.277 1.00 0.00 C ATOM 1177 CG GLU A 75 6.646 17.437 -12.839 1.00 0.00 C ATOM 1178 CD GLU A 75 6.706 17.390 -14.354 1.00 0.00 C ATOM 1179 OE1 GLU A 75 5.804 17.961 -15.001 1.00 0.00 O ATOM 1180 OE2 GLU A 75 7.654 16.781 -14.892 1.00 0.00 O ATOM 0 H GLU A 75 7.375 15.510 -11.219 1.00 0.00 H new ATOM 0 HA GLU A 75 5.491 17.394 -10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.398 15.702 -12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.547 17.209 -12.503 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.585 18.476 -12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.570 17.028 -12.430 1.00 0.00 H new ATOM 1187 N GLU A 76 4.519 14.259 -10.453 1.00 0.00 N ATOM 1188 CA GLU A 76 3.471 13.326 -10.056 1.00 0.00 C ATOM 1189 C GLU A 76 3.352 13.257 -8.536 1.00 0.00 C ATOM 1190 O GLU A 76 2.330 13.636 -7.965 1.00 0.00 O ATOM 1191 CB GLU A 76 3.756 11.933 -10.620 1.00 0.00 C ATOM 1192 CG GLU A 76 3.827 11.893 -12.137 1.00 0.00 C ATOM 1193 CD GLU A 76 2.764 12.753 -12.793 1.00 0.00 C ATOM 1194 OE1 GLU A 76 1.616 12.755 -12.303 1.00 0.00 O ATOM 1195 OE2 GLU A 76 3.082 13.423 -13.798 1.00 0.00 O ATOM 0 H GLU A 76 5.352 13.817 -10.842 1.00 0.00 H new ATOM 0 HA GLU A 76 2.526 13.687 -10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.699 11.571 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.978 11.248 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.812 12.230 -12.460 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.716 10.863 -12.475 1.00 0.00 H new ATOM 1202 N ALA A 77 4.405 12.770 -7.887 1.00 0.00 N ATOM 1203 CA ALA A 77 4.420 12.652 -6.435 1.00 0.00 C ATOM 1204 C ALA A 77 3.819 13.890 -5.777 1.00 0.00 C ATOM 1205 O ALA A 77 2.778 13.814 -5.125 1.00 0.00 O ATOM 1206 CB ALA A 77 5.840 12.424 -5.938 1.00 0.00 C ATOM 0 H ALA A 77 5.259 12.451 -8.345 1.00 0.00 H new ATOM 0 HA ALA A 77 3.808 11.793 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.836 12.338 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.235 11.506 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.468 13.265 -6.233 1.00 0.00 H new ATOM 1212 N ASP A 78 4.483 15.027 -5.952 1.00 0.00 N ATOM 1213 CA ASP A 78 4.014 16.282 -5.376 1.00 0.00 C ATOM 1214 C ASP A 78 2.532 16.495 -5.670 1.00 0.00 C ATOM 1215 O ASP A 78 1.848 17.234 -4.961 1.00 0.00 O ATOM 1216 CB ASP A 78 4.829 17.455 -5.923 1.00 0.00 C ATOM 1217 CG ASP A 78 4.905 18.612 -4.946 1.00 0.00 C ATOM 1218 OD1 ASP A 78 3.838 19.082 -4.498 1.00 0.00 O ATOM 1219 OD2 ASP A 78 6.032 19.048 -4.630 1.00 0.00 O ATOM 0 H ASP A 78 5.347 15.106 -6.488 1.00 0.00 H new ATOM 0 HA ASP A 78 4.148 16.229 -4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.838 17.115 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.383 17.800 -6.856 1.00 0.00 H new ATOM 1224 N TYR A 79 2.043 15.844 -6.719 1.00 0.00 N ATOM 1225 CA TYR A 79 0.644 15.965 -7.109 1.00 0.00 C ATOM 1226 C TYR A 79 -0.171 14.785 -6.587 1.00 0.00 C ATOM 1227 O TYR A 79 -1.396 14.862 -6.479 1.00 0.00 O ATOM 1228 CB TYR A 79 0.522 16.049 -8.632 1.00 0.00 C ATOM 1229 CG TYR A 79 -0.905 15.992 -9.130 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -1.950 16.487 -8.359 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.208 15.443 -10.369 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.255 16.436 -8.809 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.509 15.390 -10.828 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.530 15.888 -10.044 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.828 15.835 -10.497 1.00 0.00 O ATOM 0 H TYR A 79 2.595 15.227 -7.315 1.00 0.00 H new ATOM 0 HA TYR A 79 0.249 16.880 -6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.980 16.977 -8.974 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.087 15.231 -9.079 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.738 16.919 -7.392 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.412 15.051 -10.984 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.056 16.823 -8.197 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.727 14.961 -11.795 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.848 15.420 -11.385 1.00 0.00 H new ATOM 1245 N CYS A 80 0.517 13.696 -6.265 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.141 12.499 -5.754 1.00 0.00 C ATOM 1247 C CYS A 80 -0.406 12.621 -4.257 1.00 0.00 C ATOM 1248 O CYS A 80 -1.323 11.994 -3.726 1.00 0.00 O ATOM 1249 CB CYS A 80 0.715 11.262 -6.033 1.00 0.00 C ATOM 1250 SG CYS A 80 1.171 11.057 -7.771 1.00 0.00 S ATOM 0 H CYS A 80 1.530 13.617 -6.349 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.097 12.394 -6.267 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.624 11.320 -5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.172 10.376 -5.704 1.00 0.00 H new ATOM 0 HG CYS A 80 0.222 10.426 -8.397 1.00 0.00 H new ATOM 1256 N ILE A 81 0.403 13.431 -3.582 1.00 0.00 N ATOM 1257 CA ILE A 81 0.255 13.635 -2.146 1.00 0.00 C ATOM 1258 C ILE A 81 -0.888 14.596 -1.842 1.00 0.00 C ATOM 1259 O ILE A 81 -1.427 14.604 -0.736 1.00 0.00 O ATOM 1260 CB ILE A 81 1.551 14.182 -1.520 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.758 15.645 -1.917 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.743 13.338 -1.946 1.00 0.00 C ATOM 1263 CD1 ILE A 81 1.101 16.626 -0.972 1.00 0.00 C ATOM 0 H ILE A 81 1.167 13.956 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 81 0.033 12.661 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 81 1.463 14.129 -0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.827 15.854 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.363 15.800 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.651 13.738 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.597 12.309 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.836 13.362 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.289 17.643 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.027 16.444 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.513 16.499 0.029 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.254 15.404 -2.832 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.335 16.369 -2.670 1.00 0.00 C ATOM 1277 C GLN A 82 -3.674 15.758 -3.070 1.00 0.00 C ATOM 1278 O GLN A 82 -4.730 16.189 -2.604 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.061 17.620 -3.506 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.512 17.317 -4.891 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.387 18.558 -5.754 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.320 18.929 -6.467 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.231 19.207 -5.693 1.00 0.00 N ATOM 0 H GLN A 82 -0.818 15.409 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.384 16.649 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.985 18.189 -3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.352 18.255 -2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.534 16.846 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.164 16.598 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.515 18.864 -5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.089 20.049 -6.251 1.00 0.00 H new ATOM 1292 N THR A 83 -3.625 14.753 -3.938 1.00 0.00 N ATOM 1293 CA THR A 83 -4.833 14.084 -4.403 1.00 0.00 C ATOM 1294 C THR A 83 -5.134 12.847 -3.565 1.00 0.00 C ATOM 1295 O THR A 83 -6.279 12.399 -3.489 1.00 0.00 O ATOM 1296 CB THR A 83 -4.713 13.670 -5.882 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.890 14.813 -6.726 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.745 12.609 -6.233 1.00 0.00 C ATOM 0 H THR A 83 -2.760 14.384 -4.334 1.00 0.00 H new ATOM 0 HA THR A 83 -5.649 14.799 -4.298 1.00 0.00 H new ATOM 0 HB THR A 83 -3.719 13.252 -6.040 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.064 14.982 -7.226 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.641 12.333 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.589 11.729 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.746 13.004 -6.060 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.101 12.299 -2.935 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.256 11.113 -2.099 1.00 0.00 C ATOM 1308 C LEU A 84 -4.455 11.499 -0.637 1.00 0.00 C ATOM 1309 O LEU A 84 -4.741 10.649 0.206 1.00 0.00 O ATOM 1310 CB LEU A 84 -3.032 10.206 -2.237 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.756 9.658 -3.637 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.371 9.032 -3.703 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.820 8.644 -4.032 1.00 0.00 C ATOM 0 H LEU A 84 -3.147 12.657 -2.987 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.141 10.574 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.154 10.762 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.151 9.363 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.791 10.487 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.193 8.648 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.620 9.785 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.307 8.214 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.608 8.264 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.816 7.817 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.799 9.123 -4.026 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.305 12.786 -0.345 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.473 13.286 1.015 1.00 0.00 C ATOM 1327 C ASP A 85 -5.914 13.114 1.483 1.00 0.00 C ATOM 1328 O ASP A 85 -6.235 13.366 2.644 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.070 14.759 1.093 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.231 15.693 0.815 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.019 15.401 -0.109 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.353 16.714 1.523 1.00 0.00 O ATOM 0 H ASP A 85 -4.067 13.502 -1.031 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.825 12.705 1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.667 14.970 2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.272 14.953 0.376 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.781 12.685 0.571 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.178 12.489 0.909 1.00 0.00 C ATOM 1339 C GLY A 86 -8.656 11.082 0.609 1.00 0.00 C ATOM 1340 O GLY A 86 -9.824 10.757 0.820 1.00 0.00 O ATOM 0 H GLY A 86 -6.540 12.470 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.326 12.701 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.787 13.202 0.353 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.750 10.245 0.113 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.086 8.866 -0.220 1.00 0.00 C ATOM 1346 C ARG A 87 -8.749 8.167 0.963 1.00 0.00 C ATOM 1347 O ARG A 87 -8.673 8.639 2.098 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.831 8.100 -0.640 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.406 8.367 -2.075 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.043 7.376 -3.038 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.391 7.781 -3.427 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.243 6.984 -4.062 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.888 5.746 -4.378 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.453 7.424 -4.382 1.00 0.00 N ATOM 0 H ARG A 87 -6.778 10.498 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.790 8.881 -1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.012 8.367 0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.009 7.032 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.688 9.382 -2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.321 8.304 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.421 7.284 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.080 6.391 -2.573 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.695 8.728 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.959 5.404 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.544 5.136 -4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.730 8.375 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.106 6.811 -4.870 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.399 7.041 0.690 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.076 6.278 1.732 1.00 0.00 C ATOM 1370 C TRP A 88 -9.630 4.819 1.715 1.00 0.00 C ATOM 1371 O TRP A 88 -9.736 4.140 0.694 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.592 6.363 1.553 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.151 7.720 1.857 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.075 8.833 1.070 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.870 8.106 3.033 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.703 9.889 1.686 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.200 9.468 2.891 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.269 7.434 4.192 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.908 10.168 3.865 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -13.971 8.130 5.157 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.286 9.485 4.989 1.00 0.00 C ATOM 0 H TRP A 88 -9.471 6.637 -0.244 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.807 6.710 2.696 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.845 6.095 0.527 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.069 5.628 2.201 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.592 8.877 0.105 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.786 10.833 1.307 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.033 6.389 4.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.150 11.213 3.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.283 7.621 6.057 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.838 10.000 5.761 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.132 4.344 2.851 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.670 2.965 2.966 1.00 0.00 C ATOM 1394 C PHE A 89 -9.384 2.245 4.106 1.00 0.00 C ATOM 1395 O PHE A 89 -9.599 2.814 5.176 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.157 2.929 3.192 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.359 3.040 1.925 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.577 4.086 1.042 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.390 2.099 1.616 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.844 4.190 -0.125 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.654 2.198 0.450 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.881 3.245 -0.421 1.00 0.00 C ATOM 0 H PHE A 89 -9.038 4.893 3.705 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.903 2.451 2.034 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.878 3.744 3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.895 1.999 3.697 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.328 4.828 1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.208 1.278 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.024 5.010 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.902 1.457 0.221 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.307 3.325 -1.332 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.748 0.989 3.869 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.434 0.211 4.884 1.00 0.00 C ATOM 1414 C GLY A 90 -11.769 0.816 5.275 1.00 0.00 C ATOM 1415 O GLY A 90 -12.423 0.345 6.204 1.00 0.00 O ATOM 0 H GLY A 90 -9.580 0.496 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.592 -0.803 4.515 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.801 0.134 5.768 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.173 1.864 4.563 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.435 2.517 4.857 1.00 0.00 C ATOM 1421 C GLY A 91 -13.248 3.910 5.426 1.00 0.00 C ATOM 1422 O GLY A 91 -14.170 4.725 5.406 1.00 0.00 O ATOM 0 H GLY A 91 -11.649 2.272 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.031 2.577 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.998 1.910 5.567 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.052 4.182 5.937 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.748 5.485 6.518 1.00 0.00 C ATOM 1428 C ARG A 92 -10.882 6.313 5.573 1.00 0.00 C ATOM 1429 O ARG A 92 -10.320 5.789 4.612 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.037 5.315 7.861 1.00 0.00 C ATOM 1431 CG ARG A 92 -11.395 4.025 8.581 1.00 0.00 C ATOM 1432 CD ARG A 92 -10.444 2.897 8.209 1.00 0.00 C ATOM 1433 NE ARG A 92 -10.257 1.955 9.309 1.00 0.00 N ATOM 1434 CZ ARG A 92 -9.556 2.232 10.403 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -8.981 3.418 10.543 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -9.431 1.322 11.361 1.00 0.00 N ATOM 0 H ARG A 92 -11.278 3.518 5.961 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.689 6.012 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.960 5.343 7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.285 6.160 8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.364 4.188 9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.417 3.739 8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.833 2.367 7.340 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.479 3.316 7.922 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.688 1.034 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.076 4.121 9.810 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.443 3.628 11.384 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.873 0.409 11.258 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.893 1.536 12.200 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.781 7.608 5.853 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.985 8.508 5.027 1.00 0.00 C ATOM 1452 C GLN A 93 -8.516 8.466 5.436 1.00 0.00 C ATOM 1453 O GLN A 93 -8.183 8.044 6.544 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.517 9.938 5.136 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.300 10.765 3.879 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.401 12.256 4.137 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.533 12.693 5.280 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.340 13.046 3.071 1.00 0.00 N ATOM 0 H GLN A 93 -11.240 8.057 6.645 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.064 8.176 3.992 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.583 9.904 5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.031 10.435 5.976 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.318 10.538 3.464 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.037 10.479 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.230 12.641 2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.403 14.058 3.182 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.644 8.906 4.536 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.211 8.919 4.804 1.00 0.00 C ATOM 1469 C ILE A 94 -5.571 10.211 4.308 1.00 0.00 C ATOM 1470 O ILE A 94 -6.082 10.860 3.394 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.504 7.722 4.143 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.481 7.891 2.622 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.193 6.421 4.526 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.829 6.736 1.895 1.00 0.00 C ATOM 0 H ILE A 94 -7.904 9.258 3.615 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.091 8.849 5.885 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.475 7.684 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.503 8.006 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.951 8.811 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.681 5.584 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.162 6.298 5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.231 6.447 4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.849 6.924 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.796 6.634 2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.372 5.816 2.112 1.00 0.00 H new ATOM 1486 N THR A 95 -4.447 10.580 4.915 1.00 0.00 N ATOM 1487 CA THR A 95 -3.736 11.794 4.536 1.00 0.00 C ATOM 1488 C THR A 95 -2.433 11.465 3.816 1.00 0.00 C ATOM 1489 O THR A 95 -1.861 10.393 4.007 1.00 0.00 O ATOM 1490 CB THR A 95 -3.424 12.670 5.764 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.819 13.899 5.347 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.496 11.943 6.725 1.00 0.00 C ATOM 0 H THR A 95 -4.010 10.054 5.672 1.00 0.00 H new ATOM 0 HA THR A 95 -4.391 12.347 3.863 1.00 0.00 H new ATOM 0 HB THR A 95 -4.361 12.883 6.279 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.625 14.451 6.133 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.290 12.581 7.584 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.971 11.022 7.063 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.561 11.704 6.218 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.969 12.395 2.987 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.732 12.205 2.241 1.00 0.00 C ATOM 1502 C ALA A 96 0.214 13.384 2.436 1.00 0.00 C ATOM 1503 O ALA A 96 -0.223 14.503 2.703 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.033 12.005 0.762 1.00 0.00 C ATOM 0 H ALA A 96 -2.432 13.288 2.816 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.239 11.311 2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.100 11.864 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.664 11.125 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.551 12.882 0.374 1.00 0.00 H new ATOM 1510 N GLN A 97 1.511 13.126 2.301 1.00 0.00 N ATOM 1511 CA GLN A 97 2.518 14.168 2.464 1.00 0.00 C ATOM 1512 C GLN A 97 3.867 13.711 1.919 1.00 0.00 C ATOM 1513 O GLN A 97 4.096 12.518 1.722 1.00 0.00 O ATOM 1514 CB GLN A 97 2.653 14.549 3.939 1.00 0.00 C ATOM 1515 CG GLN A 97 2.763 13.352 4.869 1.00 0.00 C ATOM 1516 CD GLN A 97 1.414 12.878 5.373 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.964 13.278 6.447 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.760 12.021 4.598 1.00 0.00 N ATOM 0 H GLN A 97 1.889 12.205 2.079 1.00 0.00 H new ATOM 0 HA GLN A 97 2.196 15.042 1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.535 15.178 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.790 15.148 4.231 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.259 12.534 4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.393 13.614 5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.170 11.716 3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.153 11.668 4.885 1.00 0.00 H new ATOM 1527 N ALA A 98 4.756 14.668 1.676 1.00 0.00 N ATOM 1528 CA ALA A 98 6.083 14.364 1.155 1.00 0.00 C ATOM 1529 C ALA A 98 7.077 14.129 2.288 1.00 0.00 C ATOM 1530 O ALA A 98 7.253 14.981 3.158 1.00 0.00 O ATOM 1531 CB ALA A 98 6.566 15.488 0.252 1.00 0.00 C ATOM 0 H ALA A 98 4.581 15.661 1.832 1.00 0.00 H new ATOM 0 HA ALA A 98 6.015 13.447 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.558 15.247 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.875 15.607 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.612 16.417 0.820 1.00 0.00 H new ATOM 1537 N TRP A 99 7.723 12.968 2.271 1.00 0.00 N ATOM 1538 CA TRP A 99 8.698 12.621 3.298 1.00 0.00 C ATOM 1539 C TRP A 99 10.025 13.331 3.050 1.00 0.00 C ATOM 1540 O TRP A 99 10.290 13.803 1.944 1.00 0.00 O ATOM 1541 CB TRP A 99 8.915 11.108 3.334 1.00 0.00 C ATOM 1542 CG TRP A 99 9.825 10.664 4.440 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.732 10.997 5.761 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.966 9.807 4.319 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.746 10.400 6.469 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.516 9.663 5.608 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.574 9.146 3.249 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.646 8.887 5.852 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.696 8.376 3.493 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.222 8.251 4.785 1.00 0.00 C ATOM 0 H TRP A 99 7.589 12.252 1.557 1.00 0.00 H new ATOM 0 HA TRP A 99 8.306 12.948 4.261 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.951 10.612 3.446 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.331 10.785 2.380 1.00 0.00 H new ATOM 0 HD1 TRP A 99 8.972 11.636 6.187 1.00 0.00 H new ATOM 0 HE1 TRP A 99 10.901 10.491 7.473 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.175 9.235 2.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 13.054 8.790 6.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.175 7.862 2.673 1.00 0.00 H new ATOM 0 HH2 TRP A 99 14.099 7.641 4.943 1.00 0.00 H new ATOM 1561 N ASP A 100 10.854 13.404 4.086 1.00 0.00 N ATOM 1562 CA ASP A 100 12.154 14.056 3.979 1.00 0.00 C ATOM 1563 C ASP A 100 13.283 13.032 4.049 1.00 0.00 C ATOM 1564 O ASP A 100 13.933 12.741 3.046 1.00 0.00 O ATOM 1565 CB ASP A 100 12.321 15.093 5.091 1.00 0.00 C ATOM 1566 CG ASP A 100 13.518 15.995 4.867 1.00 0.00 C ATOM 1567 OD1 ASP A 100 13.955 16.124 3.704 1.00 0.00 O ATOM 1568 OD2 ASP A 100 14.019 16.573 5.854 1.00 0.00 O ATOM 0 H ASP A 100 10.649 13.020 5.008 1.00 0.00 H new ATOM 0 HA ASP A 100 12.202 14.559 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.419 15.701 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 100 12.429 14.581 6.047 1.00 0.00 H new ATOM 1573 N GLY A 101 13.511 12.490 5.241 1.00 0.00 N ATOM 1574 CA GLY A 101 14.562 11.505 5.420 1.00 0.00 C ATOM 1575 C GLY A 101 15.082 11.464 6.843 1.00 0.00 C ATOM 1576 O GLY A 101 16.288 11.560 7.075 1.00 0.00 O ATOM 0 H GLY A 101 12.987 12.715 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.183 10.520 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.385 11.729 4.742 1.00 0.00 H new ATOM 1580 N THR A 102 14.171 11.322 7.801 1.00 0.00 N ATOM 1581 CA THR A 102 14.544 11.272 9.209 1.00 0.00 C ATOM 1582 C THR A 102 13.863 10.106 9.916 1.00 0.00 C ATOM 1583 O THR A 102 14.412 9.529 10.855 1.00 0.00 O ATOM 1584 CB THR A 102 14.179 12.581 9.934 1.00 0.00 C ATOM 1585 OG1 THR A 102 14.200 12.378 11.351 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.803 13.070 9.507 1.00 0.00 C ATOM 0 H THR A 102 13.169 11.240 7.627 1.00 0.00 H new ATOM 0 HA THR A 102 15.625 11.135 9.245 1.00 0.00 H new ATOM 0 HB THR A 102 14.916 13.338 9.665 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.968 13.215 11.805 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.567 13.996 10.032 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.799 13.251 8.432 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.056 12.314 9.751 1.00 0.00 H new ATOM 1594 N THR A 103 12.663 9.761 9.459 1.00 0.00 N ATOM 1595 CA THR A 103 11.907 8.663 10.048 1.00 0.00 C ATOM 1596 C THR A 103 12.674 7.350 9.945 1.00 0.00 C ATOM 1597 O THR A 103 13.527 7.185 9.073 1.00 0.00 O ATOM 1598 CB THR A 103 10.534 8.498 9.369 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.610 7.886 10.275 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.652 7.654 8.109 1.00 0.00 C ATOM 0 H THR A 103 12.194 10.227 8.682 1.00 0.00 H new ATOM 0 HA THR A 103 11.756 8.911 11.099 1.00 0.00 H new ATOM 0 HB THR A 103 10.169 9.487 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.800 7.624 9.789 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.670 7.551 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 103 11.334 8.138 7.409 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.037 6.667 8.367 1.00 0.00 H new ATOM 1608 N ASP A 104 12.363 6.417 10.839 1.00 0.00 N ATOM 1609 CA ASP A 104 13.022 5.117 10.847 1.00 0.00 C ATOM 1610 C ASP A 104 12.025 4.000 10.552 1.00 0.00 C ATOM 1611 O ASP A 104 12.221 2.855 10.960 1.00 0.00 O ATOM 1612 CB ASP A 104 13.697 4.871 12.197 1.00 0.00 C ATOM 1613 CG ASP A 104 14.934 5.726 12.391 1.00 0.00 C ATOM 1614 OD1 ASP A 104 15.867 5.613 11.568 1.00 0.00 O ATOM 1615 OD2 ASP A 104 14.970 6.507 13.364 1.00 0.00 O ATOM 0 H ASP A 104 11.659 6.537 11.567 1.00 0.00 H new ATOM 0 HA ASP A 104 13.781 5.118 10.065 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.987 5.078 12.998 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.970 3.819 12.277 1.00 0.00 H new ATOM 1620 N TYR A 105 10.955 4.342 9.843 1.00 0.00 N ATOM 1621 CA TYR A 105 9.926 3.370 9.496 1.00 0.00 C ATOM 1622 C TYR A 105 10.543 2.010 9.185 1.00 0.00 C ATOM 1623 O TYR A 105 10.309 1.033 9.897 1.00 0.00 O ATOM 1624 CB TYR A 105 9.114 3.860 8.296 1.00 0.00 C ATOM 1625 CG TYR A 105 8.221 5.039 8.610 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.457 5.067 9.771 1.00 0.00 C ATOM 1627 CD2 TYR A 105 8.140 6.124 7.746 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.639 6.142 10.061 1.00 0.00 C ATOM 1629 CE2 TYR A 105 7.326 7.204 8.030 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.577 7.208 9.188 1.00 0.00 C ATOM 1631 OH TYR A 105 5.764 8.280 9.474 1.00 0.00 O ATOM 0 H TYR A 105 10.778 5.285 9.497 1.00 0.00 H new ATOM 0 HA TYR A 105 9.263 3.260 10.354 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.798 4.137 7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.501 3.039 7.923 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.504 4.235 10.458 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.723 6.123 6.837 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.051 6.148 10.967 1.00 0.00 H new ATOM 0 HE2 TYR A 105 7.277 8.041 7.349 1.00 0.00 H new ATOM 0 HH TYR A 105 5.837 8.946 8.758 1.00 0.00 H new