USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 705 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 59 GLN : amide:sc= -0.688 K(o=-0.69,f=-0.16) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 73 HIS : no HD1:sc= -0.0575 K(o=-1.2,f=-0.23) USER MOD Set 2.2: A 75 ASN : amide:sc= -1.1 K(o=-1.2,f=-0.23) USER MOD Set 3.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 92 TYR OH : rot 109:sc= 1.22 USER MOD Single : A 18 THR OG1 : rot 26:sc= 0.0666 USER MOD Single : A 19 TYR OH : rot 42:sc= 1.17 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 5:sc= 0.215 USER MOD Single : A 32 SER OG : rot -125:sc= 0.159 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.143) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= -0.169 (180deg=-0.72) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 84 TYR OH : rot -15:sc= -0.333 USER MOD Single : A 88 LYS NZ :NH3+ 163:sc=-0.00195 (180deg=-0.154) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= -1.76 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N THR A 18 -3.205 -20.458 -0.766 1.00 0.00 N ATOM 245 CA THR A 18 -1.762 -20.529 -0.572 1.00 0.00 C ATOM 246 C THR A 18 -1.198 -19.182 -0.138 1.00 0.00 C ATOM 247 O THR A 18 -0.067 -19.097 0.342 1.00 0.00 O ATOM 248 CB THR A 18 -1.045 -20.983 -1.858 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.545 -22.259 -2.274 1.00 0.00 O ATOM 250 CG2 THR A 18 0.458 -21.070 -1.637 1.00 0.00 C ATOM 0 HA THR A 18 -1.584 -21.263 0.214 1.00 0.00 H new ATOM 0 HB THR A 18 -1.241 -20.245 -2.636 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.457 -22.379 -1.936 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.943 -21.392 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.841 -20.091 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.668 -21.789 -0.845 1.00 0.00 H new ATOM 258 N TYR A 19 -1.992 -18.131 -0.309 1.00 0.00 N ATOM 259 CA TYR A 19 -1.570 -16.786 0.065 1.00 0.00 C ATOM 260 C TYR A 19 -1.772 -16.546 1.558 1.00 0.00 C ATOM 261 O TYR A 19 -2.561 -17.233 2.207 1.00 0.00 O ATOM 262 CB TYR A 19 -2.348 -15.743 -0.740 1.00 0.00 C ATOM 263 CG TYR A 19 -3.766 -15.539 -0.256 1.00 0.00 C ATOM 264 CD1 TYR A 19 -4.044 -14.680 0.800 1.00 0.00 C ATOM 265 CD2 TYR A 19 -4.828 -16.204 -0.857 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.338 -14.491 1.245 1.00 0.00 C ATOM 267 CE2 TYR A 19 -6.125 -16.020 -0.419 1.00 0.00 C ATOM 268 CZ TYR A 19 -6.375 -15.164 0.633 1.00 0.00 C ATOM 269 OH TYR A 19 -7.665 -14.977 1.073 1.00 0.00 O ATOM 0 H TYR A 19 -2.931 -18.184 -0.704 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.508 -16.691 -0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.817 -14.792 -0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.370 -16.047 -1.787 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.235 -14.151 1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.636 -16.876 -1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.537 -13.820 2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.939 -16.544 -0.898 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.811 -14.027 1.263 1.00 0.00 H new ATOM 279 N ASP A 20 -1.053 -15.567 2.096 1.00 0.00 N ATOM 280 CA ASP A 20 -1.153 -15.234 3.512 1.00 0.00 C ATOM 281 C ASP A 20 -0.850 -13.757 3.745 1.00 0.00 C ATOM 282 O ASP A 20 0.135 -13.227 3.233 1.00 0.00 O ATOM 283 CB ASP A 20 -0.194 -16.100 4.330 1.00 0.00 C ATOM 284 CG ASP A 20 -0.826 -17.404 4.774 1.00 0.00 C ATOM 285 OD1 ASP A 20 -1.951 -17.364 5.313 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.195 -18.465 4.583 1.00 0.00 O ATOM 0 H ASP A 20 -0.394 -14.990 1.573 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.175 -15.432 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.694 -16.314 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.136 -15.543 5.207 1.00 0.00 H new ATOM 291 N ALA A 21 -1.705 -13.099 4.521 1.00 0.00 N ATOM 292 CA ALA A 21 -1.529 -11.684 4.823 1.00 0.00 C ATOM 293 C ALA A 21 -0.486 -11.482 5.917 1.00 0.00 C ATOM 294 O ALA A 21 0.382 -10.615 5.808 1.00 0.00 O ATOM 295 CB ALA A 21 -2.855 -11.063 5.235 1.00 0.00 C ATOM 0 H ALA A 21 -2.526 -13.523 4.952 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.173 -11.187 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.708 -10.006 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.573 -11.166 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.235 -11.571 6.121 1.00 0.00 H new ATOM 301 N SER A 22 -0.577 -12.286 6.971 1.00 0.00 N ATOM 302 CA SER A 22 0.357 -12.193 8.087 1.00 0.00 C ATOM 303 C SER A 22 1.792 -12.399 7.613 1.00 0.00 C ATOM 304 O SER A 22 2.744 -11.996 8.282 1.00 0.00 O ATOM 305 CB SER A 22 0.008 -13.226 9.160 1.00 0.00 C ATOM 306 OG SER A 22 -0.026 -14.534 8.616 1.00 0.00 O ATOM 0 H SER A 22 -1.288 -13.010 7.076 1.00 0.00 H new ATOM 0 HA SER A 22 0.274 -11.194 8.515 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.742 -13.182 9.964 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.960 -12.986 9.599 1.00 0.00 H new ATOM 0 HG SER A 22 -0.249 -15.176 9.322 1.00 0.00 H new ATOM 312 N LYS A 23 1.941 -13.032 6.454 1.00 0.00 N ATOM 313 CA LYS A 23 3.259 -13.293 5.888 1.00 0.00 C ATOM 314 C LYS A 23 3.745 -12.100 5.070 1.00 0.00 C ATOM 315 O LYS A 23 4.774 -12.174 4.398 1.00 0.00 O ATOM 316 CB LYS A 23 3.220 -14.545 5.010 1.00 0.00 C ATOM 317 CG LYS A 23 3.106 -15.838 5.799 1.00 0.00 C ATOM 318 CD LYS A 23 4.295 -16.033 6.724 1.00 0.00 C ATOM 319 CE LYS A 23 5.590 -15.570 6.074 1.00 0.00 C ATOM 320 NZ LYS A 23 6.783 -16.206 6.697 1.00 0.00 N ATOM 0 H LYS A 23 1.164 -13.374 5.888 1.00 0.00 H new ATOM 0 HA LYS A 23 3.955 -13.455 6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.376 -14.472 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.123 -14.579 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.186 -15.828 6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.037 -16.680 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.133 -15.479 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.378 -17.086 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.567 -15.806 5.010 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.671 -14.486 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.645 -15.864 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.820 -15.960 7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.719 -17.239 6.594 1.00 0.00 H new ATOM 334 N VAL A 24 2.999 -11.002 5.132 1.00 0.00 N ATOM 335 CA VAL A 24 3.356 -9.793 4.399 1.00 0.00 C ATOM 336 C VAL A 24 3.906 -8.724 5.336 1.00 0.00 C ATOM 337 O VAL A 24 3.254 -8.339 6.308 1.00 0.00 O ATOM 338 CB VAL A 24 2.145 -9.220 3.638 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.435 -7.805 3.161 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.776 -10.120 2.469 1.00 0.00 C ATOM 0 H VAL A 24 2.144 -10.925 5.682 1.00 0.00 H new ATOM 0 HA VAL A 24 4.127 -10.074 3.682 1.00 0.00 H new ATOM 0 HB VAL A 24 1.295 -9.181 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.569 -7.417 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.647 -7.168 4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.298 -7.815 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.919 -9.700 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.621 -10.193 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.523 -11.113 2.840 1.00 0.00 H new ATOM 350 N THR A 25 5.111 -8.247 5.039 1.00 0.00 N ATOM 351 CA THR A 25 5.750 -7.223 5.855 1.00 0.00 C ATOM 352 C THR A 25 6.018 -5.961 5.043 1.00 0.00 C ATOM 353 O THR A 25 6.065 -6.001 3.814 1.00 0.00 O ATOM 354 CB THR A 25 7.077 -7.727 6.452 1.00 0.00 C ATOM 355 OG1 THR A 25 7.989 -8.067 5.402 1.00 0.00 O ATOM 356 CG2 THR A 25 6.844 -8.940 7.341 1.00 0.00 C ATOM 0 H THR A 25 5.664 -8.554 4.239 1.00 0.00 H new ATOM 0 HA THR A 25 5.061 -6.990 6.667 1.00 0.00 H new ATOM 0 HB THR A 25 7.504 -6.928 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.831 -8.385 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.795 -9.278 7.751 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.173 -8.670 8.156 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.397 -9.742 6.753 1.00 0.00 H new ATOM 364 N ALA A 26 6.194 -4.842 5.738 1.00 0.00 N ATOM 365 CA ALA A 26 6.461 -3.568 5.081 1.00 0.00 C ATOM 366 C ALA A 26 7.546 -2.788 5.815 1.00 0.00 C ATOM 367 O ALA A 26 7.501 -2.643 7.036 1.00 0.00 O ATOM 368 CB ALA A 26 5.185 -2.744 4.991 1.00 0.00 C ATOM 0 H ALA A 26 6.157 -4.792 6.756 1.00 0.00 H new ATOM 0 HA ALA A 26 6.819 -3.775 4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.398 -1.795 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.438 -3.291 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.803 -2.554 5.994 1.00 0.00 H new ATOM 374 N SER A 27 8.521 -2.289 5.062 1.00 0.00 N ATOM 375 CA SER A 27 9.621 -1.527 5.642 1.00 0.00 C ATOM 376 C SER A 27 10.117 -0.462 4.669 1.00 0.00 C ATOM 377 O SER A 27 10.089 -0.654 3.455 1.00 0.00 O ATOM 378 CB SER A 27 10.771 -2.462 6.023 1.00 0.00 C ATOM 379 OG SER A 27 10.431 -3.260 7.143 1.00 0.00 O ATOM 0 H SER A 27 8.572 -2.399 4.049 1.00 0.00 H new ATOM 0 HA SER A 27 9.253 -1.030 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.017 -3.104 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.662 -1.875 6.248 1.00 0.00 H new ATOM 0 HG SER A 27 9.498 -3.094 7.392 1.00 0.00 H new ATOM 385 N GLY A 28 10.571 0.663 5.214 1.00 0.00 N ATOM 386 CA GLY A 28 11.067 1.743 4.381 1.00 0.00 C ATOM 387 C GLY A 28 10.715 3.110 4.934 1.00 0.00 C ATOM 388 O GLY A 28 10.170 3.238 6.031 1.00 0.00 O ATOM 0 H GLY A 28 10.604 0.845 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.150 1.659 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.654 1.643 3.377 1.00 0.00 H new ATOM 392 N PRO A 29 11.030 4.162 4.165 1.00 0.00 N ATOM 393 CA PRO A 29 10.754 5.546 4.565 1.00 0.00 C ATOM 394 C PRO A 29 9.262 5.864 4.559 1.00 0.00 C ATOM 395 O PRO A 29 8.779 6.637 5.385 1.00 0.00 O ATOM 396 CB PRO A 29 11.481 6.374 3.503 1.00 0.00 C ATOM 397 CG PRO A 29 11.552 5.483 2.311 1.00 0.00 C ATOM 398 CD PRO A 29 11.680 4.084 2.846 1.00 0.00 C ATOM 0 HA PRO A 29 11.084 5.750 5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.940 7.293 3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.476 6.664 3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.659 5.585 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.405 5.740 1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.188 3.359 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.723 3.780 2.930 1.00 0.00 H new ATOM 406 N GLY A 30 8.537 5.261 3.622 1.00 0.00 N ATOM 407 CA GLY A 30 7.107 5.493 3.527 1.00 0.00 C ATOM 408 C GLY A 30 6.378 5.154 4.812 1.00 0.00 C ATOM 409 O GLY A 30 5.349 5.752 5.127 1.00 0.00 O ATOM 0 H GLY A 30 8.914 4.616 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.928 6.538 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.698 4.895 2.712 1.00 0.00 H new ATOM 413 N LEU A 31 6.911 4.190 5.555 1.00 0.00 N ATOM 414 CA LEU A 31 6.303 3.770 6.813 1.00 0.00 C ATOM 415 C LEU A 31 7.153 4.208 8.001 1.00 0.00 C ATOM 416 O LEU A 31 7.035 3.659 9.097 1.00 0.00 O ATOM 417 CB LEU A 31 6.122 2.251 6.833 1.00 0.00 C ATOM 418 CG LEU A 31 5.407 1.645 5.624 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.677 0.151 5.539 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.911 1.916 5.699 1.00 0.00 C ATOM 0 H LEU A 31 7.762 3.685 5.308 1.00 0.00 H new ATOM 0 HA LEU A 31 5.326 4.247 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.106 1.789 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.566 1.983 7.731 1.00 0.00 H new ATOM 0 HG LEU A 31 5.796 2.115 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.161 -0.263 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.749 -0.020 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.315 -0.336 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.418 1.478 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.506 1.473 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.736 2.992 5.711 1.00 0.00 H new ATOM 432 N SER A 32 8.009 5.199 7.777 1.00 0.00 N ATOM 433 CA SER A 32 8.881 5.710 8.829 1.00 0.00 C ATOM 434 C SER A 32 8.063 6.261 9.993 1.00 0.00 C ATOM 435 O SER A 32 7.277 7.194 9.826 1.00 0.00 O ATOM 436 CB SER A 32 9.799 6.801 8.275 1.00 0.00 C ATOM 437 OG SER A 32 10.370 7.567 9.321 1.00 0.00 O ATOM 0 H SER A 32 8.118 5.665 6.876 1.00 0.00 H new ATOM 0 HA SER A 32 9.490 4.883 9.195 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.590 6.347 7.679 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.233 7.453 7.609 1.00 0.00 H new ATOM 0 HG SER A 32 10.173 8.516 9.177 1.00 0.00 H new ATOM 443 N SER A 33 8.254 5.677 11.171 1.00 0.00 N ATOM 444 CA SER A 33 7.531 6.106 12.363 1.00 0.00 C ATOM 445 C SER A 33 7.986 7.494 12.804 1.00 0.00 C ATOM 446 O SER A 33 7.201 8.275 13.342 1.00 0.00 O ATOM 447 CB SER A 33 7.740 5.104 13.500 1.00 0.00 C ATOM 448 OG SER A 33 7.124 5.552 14.695 1.00 0.00 O ATOM 0 H SER A 33 8.903 4.906 11.326 1.00 0.00 H new ATOM 0 HA SER A 33 6.470 6.151 12.118 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.328 4.136 13.216 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.807 4.959 13.670 1.00 0.00 H new ATOM 0 HG SER A 33 7.271 4.893 15.406 1.00 0.00 H new ATOM 454 N TYR A 34 9.259 7.794 12.571 1.00 0.00 N ATOM 455 CA TYR A 34 9.820 9.087 12.945 1.00 0.00 C ATOM 456 C TYR A 34 9.104 10.222 12.219 1.00 0.00 C ATOM 457 O TYR A 34 8.965 11.323 12.750 1.00 0.00 O ATOM 458 CB TYR A 34 11.316 9.127 12.629 1.00 0.00 C ATOM 459 CG TYR A 34 12.168 8.396 13.641 1.00 0.00 C ATOM 460 CD1 TYR A 34 12.074 8.685 14.997 1.00 0.00 C ATOM 461 CD2 TYR A 34 13.069 7.416 13.242 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.851 8.019 15.925 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.849 6.744 14.163 1.00 0.00 C ATOM 464 CZ TYR A 34 13.737 7.050 15.503 1.00 0.00 C ATOM 465 OH TYR A 34 14.513 6.384 16.424 1.00 0.00 O ATOM 0 H TYR A 34 9.922 7.160 12.125 1.00 0.00 H new ATOM 0 HA TYR A 34 9.678 9.220 14.017 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.483 8.691 11.644 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.640 10.166 12.577 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.382 9.443 15.331 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.161 7.176 12.193 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.765 8.256 16.975 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.542 5.983 13.836 1.00 0.00 H new ATOM 0 HH TYR A 34 15.082 5.733 15.963 1.00 0.00 H new ATOM 475 N GLY A 35 8.651 9.944 11.001 1.00 0.00 N ATOM 476 CA GLY A 35 7.955 10.951 10.221 1.00 0.00 C ATOM 477 C GLY A 35 8.339 10.916 8.755 1.00 0.00 C ATOM 478 O GLY A 35 9.400 10.406 8.395 1.00 0.00 O ATOM 0 H GLY A 35 8.753 9.040 10.540 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.880 10.800 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.176 11.938 10.628 1.00 0.00 H new ATOM 482 N VAL A 36 7.473 11.459 7.905 1.00 0.00 N ATOM 483 CA VAL A 36 7.727 11.489 6.469 1.00 0.00 C ATOM 484 C VAL A 36 7.635 12.909 5.924 1.00 0.00 C ATOM 485 O VAL A 36 6.815 13.717 6.362 1.00 0.00 O ATOM 486 CB VAL A 36 6.735 10.591 5.706 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.893 9.139 6.129 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.307 11.068 5.928 1.00 0.00 C ATOM 0 H VAL A 36 6.589 11.884 8.186 1.00 0.00 H new ATOM 0 HA VAL A 36 8.738 11.111 6.318 1.00 0.00 H new ATOM 0 HB VAL A 36 6.956 10.659 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.184 8.521 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.908 8.806 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.701 9.048 7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.619 10.423 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.072 11.031 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.206 12.092 5.569 1.00 0.00 H new ATOM 498 N PRO A 37 8.495 13.223 4.943 1.00 0.00 N ATOM 499 CA PRO A 37 8.529 14.547 4.315 1.00 0.00 C ATOM 500 C PRO A 37 7.299 14.813 3.455 1.00 0.00 C ATOM 501 O PRO A 37 7.041 14.099 2.486 1.00 0.00 O ATOM 502 CB PRO A 37 9.788 14.495 3.446 1.00 0.00 C ATOM 503 CG PRO A 37 9.988 13.047 3.156 1.00 0.00 C ATOM 504 CD PRO A 37 9.499 12.310 4.372 1.00 0.00 C ATOM 0 HA PRO A 37 8.537 15.348 5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.660 15.069 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.647 14.917 3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.432 12.746 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.039 12.829 2.964 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.063 11.346 4.109 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.308 12.112 5.075 1.00 0.00 H new ATOM 512 N ALA A 38 6.543 15.845 3.815 1.00 0.00 N ATOM 513 CA ALA A 38 5.341 16.206 3.073 1.00 0.00 C ATOM 514 C ALA A 38 5.678 16.604 1.640 1.00 0.00 C ATOM 515 O ALA A 38 6.835 16.868 1.316 1.00 0.00 O ATOM 516 CB ALA A 38 4.606 17.337 3.778 1.00 0.00 C ATOM 0 H ALA A 38 6.741 16.445 4.615 1.00 0.00 H new ATOM 0 HA ALA A 38 4.691 15.332 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.711 17.597 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.323 17.017 4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.258 18.208 3.845 1.00 0.00 H new ATOM 522 N SER A 39 4.660 16.643 0.787 1.00 0.00 N ATOM 523 CA SER A 39 4.849 17.004 -0.613 1.00 0.00 C ATOM 524 C SER A 39 6.066 16.292 -1.198 1.00 0.00 C ATOM 525 O SER A 39 6.718 16.800 -2.111 1.00 0.00 O ATOM 526 CB SER A 39 5.014 18.518 -0.754 1.00 0.00 C ATOM 527 OG SER A 39 3.789 19.189 -0.515 1.00 0.00 O ATOM 0 H SER A 39 3.696 16.429 1.041 1.00 0.00 H new ATOM 0 HA SER A 39 3.964 16.689 -1.166 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.769 18.872 -0.052 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.373 18.756 -1.755 1.00 0.00 H new ATOM 0 HG SER A 39 3.921 20.155 -0.610 1.00 0.00 H new ATOM 533 N LEU A 40 6.365 15.113 -0.665 1.00 0.00 N ATOM 534 CA LEU A 40 7.503 14.329 -1.133 1.00 0.00 C ATOM 535 C LEU A 40 7.077 12.909 -1.490 1.00 0.00 C ATOM 536 O LEU A 40 6.501 12.184 -0.678 1.00 0.00 O ATOM 537 CB LEU A 40 8.596 14.291 -0.063 1.00 0.00 C ATOM 538 CG LEU A 40 9.981 13.845 -0.533 1.00 0.00 C ATOM 539 CD1 LEU A 40 9.937 12.410 -1.034 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.501 14.775 -1.619 1.00 0.00 C ATOM 0 H LEU A 40 5.836 14.679 0.091 1.00 0.00 H new ATOM 0 HA LEU A 40 7.897 14.807 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.685 15.286 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.272 13.622 0.735 1.00 0.00 H new ATOM 0 HG LEU A 40 10.664 13.892 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.931 12.109 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.608 11.753 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.240 12.337 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.488 14.442 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.818 14.761 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.571 15.790 -1.227 1.00 0.00 H new ATOM 552 N PRO A 41 7.366 12.499 -2.734 1.00 0.00 N ATOM 553 CA PRO A 41 7.024 11.161 -3.226 1.00 0.00 C ATOM 554 C PRO A 41 7.859 10.069 -2.567 1.00 0.00 C ATOM 555 O PRO A 41 8.996 9.817 -2.965 1.00 0.00 O ATOM 556 CB PRO A 41 7.337 11.243 -4.722 1.00 0.00 C ATOM 557 CG PRO A 41 8.368 12.313 -4.836 1.00 0.00 C ATOM 558 CD PRO A 41 8.051 13.309 -3.755 1.00 0.00 C ATOM 0 HA PRO A 41 5.989 10.899 -3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.710 10.292 -5.101 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.446 11.489 -5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.370 11.904 -4.709 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.337 12.781 -5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.954 13.774 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.414 14.113 -4.124 1.00 0.00 H new ATOM 566 N VAL A 42 7.288 9.423 -1.555 1.00 0.00 N ATOM 567 CA VAL A 42 7.980 8.357 -0.841 1.00 0.00 C ATOM 568 C VAL A 42 7.310 7.009 -1.084 1.00 0.00 C ATOM 569 O VAL A 42 6.086 6.920 -1.176 1.00 0.00 O ATOM 570 CB VAL A 42 8.021 8.631 0.674 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.613 8.775 1.230 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.777 7.525 1.395 1.00 0.00 C ATOM 0 H VAL A 42 6.348 9.620 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 42 9.000 8.328 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 42 8.549 9.570 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.663 8.968 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.109 9.605 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.056 7.855 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.796 7.735 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.279 6.571 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.798 7.476 1.017 1.00 0.00 H new ATOM 582 N ASP A 43 8.121 5.962 -1.185 1.00 0.00 N ATOM 583 CA ASP A 43 7.608 4.616 -1.416 1.00 0.00 C ATOM 584 C ASP A 43 8.267 3.614 -0.474 1.00 0.00 C ATOM 585 O ASP A 43 9.427 3.773 -0.094 1.00 0.00 O ATOM 586 CB ASP A 43 7.842 4.200 -2.869 1.00 0.00 C ATOM 587 CG ASP A 43 9.289 4.364 -3.292 1.00 0.00 C ATOM 588 OD1 ASP A 43 9.699 5.511 -3.571 1.00 0.00 O ATOM 589 OD2 ASP A 43 10.011 3.347 -3.342 1.00 0.00 O ATOM 0 H ASP A 43 9.137 6.019 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 43 6.536 4.623 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.544 3.159 -2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.206 4.797 -3.522 1.00 0.00 H new ATOM 594 N PHE A 44 7.519 2.582 -0.098 1.00 0.00 N ATOM 595 CA PHE A 44 8.030 1.554 0.802 1.00 0.00 C ATOM 596 C PHE A 44 8.257 0.243 0.056 1.00 0.00 C ATOM 597 O PHE A 44 7.893 0.109 -1.112 1.00 0.00 O ATOM 598 CB PHE A 44 7.057 1.333 1.962 1.00 0.00 C ATOM 599 CG PHE A 44 5.613 1.377 1.550 1.00 0.00 C ATOM 600 CD1 PHE A 44 4.997 2.584 1.262 1.00 0.00 C ATOM 601 CD2 PHE A 44 4.871 0.210 1.451 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.669 2.628 0.882 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.543 0.248 1.072 1.00 0.00 C ATOM 604 CZ PHE A 44 2.941 1.458 0.788 1.00 0.00 C ATOM 0 H PHE A 44 6.557 2.435 -0.403 1.00 0.00 H new ATOM 0 HA PHE A 44 8.986 1.896 1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.266 0.367 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.233 2.093 2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.561 3.502 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.336 -0.739 1.673 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.201 3.576 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.976 -0.668 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.903 1.489 0.493 1.00 0.00 H new ATOM 614 N ALA A 45 8.863 -0.722 0.740 1.00 0.00 N ATOM 615 CA ALA A 45 9.138 -2.024 0.145 1.00 0.00 C ATOM 616 C ALA A 45 8.392 -3.133 0.879 1.00 0.00 C ATOM 617 O ALA A 45 8.371 -3.169 2.109 1.00 0.00 O ATOM 618 CB ALA A 45 10.635 -2.300 0.148 1.00 0.00 C ATOM 0 H ALA A 45 9.173 -0.626 1.707 1.00 0.00 H new ATOM 0 HA ALA A 45 8.785 -2.006 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.826 -3.276 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.148 -1.530 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.004 -2.292 1.173 1.00 0.00 H new ATOM 624 N ILE A 46 7.782 -4.034 0.117 1.00 0.00 N ATOM 625 CA ILE A 46 7.035 -5.143 0.696 1.00 0.00 C ATOM 626 C ILE A 46 7.654 -6.483 0.312 1.00 0.00 C ATOM 627 O ILE A 46 7.412 -7.000 -0.779 1.00 0.00 O ATOM 628 CB ILE A 46 5.561 -5.125 0.249 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.903 -3.801 0.644 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.809 -6.299 0.857 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.703 -3.446 -0.206 1.00 0.00 C ATOM 0 H ILE A 46 7.790 -4.018 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 46 7.079 -5.021 1.778 1.00 0.00 H new ATOM 0 HB ILE A 46 5.524 -5.218 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.595 -3.855 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.640 -3.002 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.769 -6.273 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.267 -7.233 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.851 -6.234 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.287 -2.496 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.008 -3.360 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.947 -4.226 -0.113 1.00 0.00 H new ATOM 643 N ASP A 47 8.452 -7.041 1.215 1.00 0.00 N ATOM 644 CA ASP A 47 9.104 -8.322 0.972 1.00 0.00 C ATOM 645 C ASP A 47 8.279 -9.469 1.547 1.00 0.00 C ATOM 646 O ASP A 47 8.118 -9.583 2.762 1.00 0.00 O ATOM 647 CB ASP A 47 10.506 -8.329 1.584 1.00 0.00 C ATOM 648 CG ASP A 47 11.180 -9.683 1.471 1.00 0.00 C ATOM 649 OD1 ASP A 47 11.733 -9.981 0.392 1.00 0.00 O ATOM 650 OD2 ASP A 47 11.154 -10.443 2.461 1.00 0.00 O ATOM 0 H ASP A 47 8.663 -6.626 2.123 1.00 0.00 H new ATOM 0 HA ASP A 47 9.186 -8.462 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.120 -7.578 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.442 -8.044 2.634 1.00 0.00 H new ATOM 655 N ALA A 48 7.758 -10.316 0.666 1.00 0.00 N ATOM 656 CA ALA A 48 6.950 -11.455 1.086 1.00 0.00 C ATOM 657 C ALA A 48 7.755 -12.749 1.031 1.00 0.00 C ATOM 658 O ALA A 48 8.327 -13.091 -0.004 1.00 0.00 O ATOM 659 CB ALA A 48 5.705 -11.567 0.218 1.00 0.00 C ATOM 0 H ALA A 48 7.881 -10.235 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 48 6.645 -11.292 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.111 -12.421 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.113 -10.657 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.998 -11.703 -0.823 1.00 0.00 H new ATOM 665 N ARG A 49 7.795 -13.464 2.150 1.00 0.00 N ATOM 666 CA ARG A 49 8.532 -14.719 2.229 1.00 0.00 C ATOM 667 C ARG A 49 7.610 -15.907 1.970 1.00 0.00 C ATOM 668 O ARG A 49 7.880 -16.737 1.101 1.00 0.00 O ATOM 669 CB ARG A 49 9.192 -14.862 3.602 1.00 0.00 C ATOM 670 CG ARG A 49 10.106 -13.703 3.961 1.00 0.00 C ATOM 671 CD ARG A 49 10.389 -13.658 5.455 1.00 0.00 C ATOM 672 NE ARG A 49 10.894 -12.355 5.878 1.00 0.00 N ATOM 673 CZ ARG A 49 11.458 -12.134 7.061 1.00 0.00 C ATOM 674 NH1 ARG A 49 11.588 -13.125 7.932 1.00 0.00 N ATOM 675 NH2 ARG A 49 11.894 -10.921 7.373 1.00 0.00 N ATOM 0 H ARG A 49 7.325 -13.196 3.015 1.00 0.00 H new ATOM 0 HA ARG A 49 9.306 -14.707 1.461 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.415 -14.950 4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.767 -15.788 3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.045 -13.796 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.646 -12.765 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.476 -13.888 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.117 -14.429 5.709 1.00 0.00 H new ATOM 0 HE ARG A 49 10.809 -11.572 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.255 -14.059 7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.021 -12.953 8.839 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.797 -10.157 6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.327 -10.753 8.281 1.00 0.00 H new ATOM 689 N ASP A 50 6.523 -15.983 2.729 1.00 0.00 N ATOM 690 CA ASP A 50 5.561 -17.069 2.582 1.00 0.00 C ATOM 691 C ASP A 50 4.170 -16.524 2.271 1.00 0.00 C ATOM 692 O ASP A 50 3.167 -17.214 2.455 1.00 0.00 O ATOM 693 CB ASP A 50 5.517 -17.917 3.854 1.00 0.00 C ATOM 694 CG ASP A 50 5.263 -19.383 3.564 1.00 0.00 C ATOM 695 OD1 ASP A 50 6.234 -20.101 3.247 1.00 0.00 O ATOM 696 OD2 ASP A 50 4.094 -19.812 3.654 1.00 0.00 O ATOM 0 H ASP A 50 6.286 -15.305 3.453 1.00 0.00 H new ATOM 0 HA ASP A 50 5.882 -17.695 1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.461 -17.814 4.389 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.735 -17.539 4.512 1.00 0.00 H new ATOM 701 N ALA A 51 4.118 -15.283 1.800 1.00 0.00 N ATOM 702 CA ALA A 51 2.851 -14.646 1.463 1.00 0.00 C ATOM 703 C ALA A 51 2.248 -15.256 0.202 1.00 0.00 C ATOM 704 O ALA A 51 1.180 -14.845 -0.248 1.00 0.00 O ATOM 705 CB ALA A 51 3.043 -13.147 1.287 1.00 0.00 C ATOM 0 H ALA A 51 4.939 -14.698 1.643 1.00 0.00 H new ATOM 0 HA ALA A 51 2.157 -14.817 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.088 -12.685 1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.421 -12.717 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.757 -12.963 0.484 1.00 0.00 H new ATOM 711 N GLY A 52 2.943 -16.238 -0.365 1.00 0.00 N ATOM 712 CA GLY A 52 2.461 -16.887 -1.570 1.00 0.00 C ATOM 713 C GLY A 52 2.185 -15.903 -2.688 1.00 0.00 C ATOM 714 O GLY A 52 2.986 -15.004 -2.944 1.00 0.00 O ATOM 0 H GLY A 52 3.831 -16.595 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.198 -17.616 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.549 -17.438 -1.342 1.00 0.00 H new ATOM 718 N GLU A 53 1.048 -16.072 -3.357 1.00 0.00 N ATOM 719 CA GLU A 53 0.671 -15.192 -4.457 1.00 0.00 C ATOM 720 C GLU A 53 -0.757 -14.684 -4.281 1.00 0.00 C ATOM 721 O GLU A 53 -1.681 -15.463 -4.051 1.00 0.00 O ATOM 722 CB GLU A 53 0.803 -15.923 -5.794 1.00 0.00 C ATOM 723 CG GLU A 53 0.190 -15.171 -6.963 1.00 0.00 C ATOM 724 CD GLU A 53 0.708 -15.653 -8.304 1.00 0.00 C ATOM 725 OE1 GLU A 53 0.152 -16.637 -8.835 1.00 0.00 O ATOM 726 OE2 GLU A 53 1.669 -15.047 -8.822 1.00 0.00 O ATOM 0 H GLU A 53 0.373 -16.810 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 53 1.347 -14.337 -4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.859 -16.098 -6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.327 -16.900 -5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.894 -15.284 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.402 -14.107 -6.857 1.00 0.00 H new ATOM 733 N GLY A 54 -0.930 -13.370 -4.392 1.00 0.00 N ATOM 734 CA GLY A 54 -2.247 -12.780 -4.243 1.00 0.00 C ATOM 735 C GLY A 54 -2.308 -11.359 -4.766 1.00 0.00 C ATOM 736 O GLY A 54 -1.389 -10.899 -5.445 1.00 0.00 O ATOM 0 H GLY A 54 -0.181 -12.704 -4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.977 -13.391 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.529 -12.789 -3.190 1.00 0.00 H new ATOM 740 N LEU A 55 -3.395 -10.661 -4.453 1.00 0.00 N ATOM 741 CA LEU A 55 -3.574 -9.283 -4.898 1.00 0.00 C ATOM 742 C LEU A 55 -3.155 -8.301 -3.809 1.00 0.00 C ATOM 743 O LEU A 55 -3.418 -8.520 -2.626 1.00 0.00 O ATOM 744 CB LEU A 55 -5.032 -9.038 -5.289 1.00 0.00 C ATOM 745 CG LEU A 55 -5.389 -9.304 -6.752 1.00 0.00 C ATOM 746 CD1 LEU A 55 -5.836 -10.745 -6.939 1.00 0.00 C ATOM 747 CD2 LEU A 55 -6.471 -8.343 -7.220 1.00 0.00 C ATOM 0 H LEU A 55 -4.165 -11.027 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.939 -9.123 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.666 -9.665 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.280 -8.002 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.498 -9.140 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.086 -10.915 -7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.030 -11.417 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.713 -10.937 -6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.712 -8.547 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.364 -8.475 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.113 -7.318 -7.124 1.00 0.00 H new ATOM 759 N LEU A 56 -2.505 -7.216 -4.216 1.00 0.00 N ATOM 760 CA LEU A 56 -2.052 -6.197 -3.276 1.00 0.00 C ATOM 761 C LEU A 56 -2.776 -4.876 -3.513 1.00 0.00 C ATOM 762 O LEU A 56 -3.012 -4.483 -4.655 1.00 0.00 O ATOM 763 CB LEU A 56 -0.541 -5.994 -3.402 1.00 0.00 C ATOM 764 CG LEU A 56 0.086 -4.998 -2.426 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.468 -5.692 -1.128 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.301 -4.330 -3.053 1.00 0.00 C ATOM 0 H LEU A 56 -2.280 -7.019 -5.191 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.283 -6.540 -2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.053 -6.959 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.322 -5.664 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.651 -4.227 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.913 -4.968 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.422 -6.123 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.188 -6.483 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.734 -3.624 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.041 -5.088 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.999 -3.798 -3.955 1.00 0.00 H new ATOM 778 N ALA A 57 -3.123 -4.194 -2.427 1.00 0.00 N ATOM 779 CA ALA A 57 -3.816 -2.915 -2.517 1.00 0.00 C ATOM 780 C ALA A 57 -3.414 -1.990 -1.373 1.00 0.00 C ATOM 781 O ALA A 57 -3.123 -2.445 -0.267 1.00 0.00 O ATOM 782 CB ALA A 57 -5.323 -3.130 -2.519 1.00 0.00 C ATOM 0 H ALA A 57 -2.935 -4.506 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.526 -2.439 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.828 -2.166 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.601 -3.746 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.620 -3.631 -1.598 1.00 0.00 H new ATOM 788 N VAL A 58 -3.397 -0.690 -1.648 1.00 0.00 N ATOM 789 CA VAL A 58 -3.030 0.299 -0.641 1.00 0.00 C ATOM 790 C VAL A 58 -4.119 1.355 -0.485 1.00 0.00 C ATOM 791 O VAL A 58 -4.504 2.010 -1.453 1.00 0.00 O ATOM 792 CB VAL A 58 -1.703 0.995 -0.996 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.811 1.699 -2.340 1.00 0.00 C ATOM 794 CG2 VAL A 58 -1.306 1.974 0.098 1.00 0.00 C ATOM 0 H VAL A 58 -3.633 -0.297 -2.559 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.910 -0.237 0.300 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.924 0.236 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.864 2.185 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.045 0.969 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.602 2.448 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.366 2.457 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.083 2.730 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.184 1.438 1.039 1.00 0.00 H new ATOM 804 N GLN A 59 -4.610 1.514 0.739 1.00 0.00 N ATOM 805 CA GLN A 59 -5.655 2.491 1.022 1.00 0.00 C ATOM 806 C GLN A 59 -5.120 3.626 1.889 1.00 0.00 C ATOM 807 O GLN A 59 -4.844 3.437 3.074 1.00 0.00 O ATOM 808 CB GLN A 59 -6.839 1.816 1.717 1.00 0.00 C ATOM 809 CG GLN A 59 -7.743 1.045 0.769 1.00 0.00 C ATOM 810 CD GLN A 59 -7.259 -0.371 0.525 1.00 0.00 C ATOM 811 OE1 GLN A 59 -7.148 -1.171 1.454 1.00 0.00 O ATOM 812 NE2 GLN A 59 -6.968 -0.689 -0.732 1.00 0.00 N ATOM 0 H GLN A 59 -4.301 0.979 1.551 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.991 2.911 0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.462 1.135 2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.429 2.575 2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.752 1.014 1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.802 1.574 -0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.075 0.005 -1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.638 -1.628 -0.957 1.00 0.00 H new ATOM 821 N ILE A 60 -4.975 4.803 1.290 1.00 0.00 N ATOM 822 CA ILE A 60 -4.474 5.968 2.009 1.00 0.00 C ATOM 823 C ILE A 60 -5.594 6.962 2.294 1.00 0.00 C ATOM 824 O ILE A 60 -6.422 7.248 1.428 1.00 0.00 O ATOM 825 CB ILE A 60 -3.360 6.680 1.219 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.142 5.765 1.075 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.973 7.982 1.905 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.338 6.022 -0.181 1.00 0.00 C ATOM 0 H ILE A 60 -5.197 4.975 0.309 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.065 5.605 2.952 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.735 6.914 0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.496 5.894 1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.475 4.727 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.185 8.473 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.843 8.637 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.614 7.770 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.490 5.338 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.969 5.864 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.975 7.050 -0.176 1.00 0.00 H new ATOM 840 N THR A 61 -5.614 7.489 3.515 1.00 0.00 N ATOM 841 CA THR A 61 -6.632 8.452 3.915 1.00 0.00 C ATOM 842 C THR A 61 -6.031 9.564 4.767 1.00 0.00 C ATOM 843 O THR A 61 -4.925 9.430 5.290 1.00 0.00 O ATOM 844 CB THR A 61 -7.768 7.774 4.704 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.260 6.641 5.418 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.885 7.332 3.771 1.00 0.00 C ATOM 0 H THR A 61 -4.936 7.265 4.244 1.00 0.00 H new ATOM 0 HA THR A 61 -7.041 8.879 2.999 1.00 0.00 H new ATOM 0 HB THR A 61 -8.172 8.498 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.988 6.216 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.676 6.856 4.350 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.289 8.200 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.492 6.623 3.043 1.00 0.00 H new ATOM 854 N ASP A 62 -6.767 10.662 4.902 1.00 0.00 N ATOM 855 CA ASP A 62 -6.307 11.798 5.693 1.00 0.00 C ATOM 856 C ASP A 62 -7.058 11.878 7.018 1.00 0.00 C ATOM 857 O ASP A 62 -8.006 11.128 7.250 1.00 0.00 O ATOM 858 CB ASP A 62 -6.490 13.099 4.909 1.00 0.00 C ATOM 859 CG ASP A 62 -7.866 13.704 5.105 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.865 12.974 4.933 1.00 0.00 O ATOM 861 OD2 ASP A 62 -7.945 14.907 5.430 1.00 0.00 O ATOM 0 H ASP A 62 -7.684 10.790 4.474 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.247 11.656 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.732 13.818 5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.329 12.906 3.848 1.00 0.00 H new ATOM 866 N GLN A 63 -6.628 12.791 7.882 1.00 0.00 N ATOM 867 CA GLN A 63 -7.259 12.966 9.185 1.00 0.00 C ATOM 868 C GLN A 63 -8.779 12.970 9.057 1.00 0.00 C ATOM 869 O GLN A 63 -9.489 12.573 9.980 1.00 0.00 O ATOM 870 CB GLN A 63 -6.787 14.269 9.833 1.00 0.00 C ATOM 871 CG GLN A 63 -7.407 15.514 9.217 1.00 0.00 C ATOM 872 CD GLN A 63 -7.027 16.782 9.957 1.00 0.00 C ATOM 873 OE1 GLN A 63 -7.880 17.458 10.532 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.740 17.110 9.946 1.00 0.00 N ATOM 0 H GLN A 63 -5.846 13.421 7.704 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.968 12.127 9.817 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.024 14.243 10.897 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.702 14.334 9.750 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.091 15.596 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.492 15.411 9.213 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.067 16.520 9.456 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.424 17.952 10.427 1.00 0.00 H new ATOM 883 N GLU A 64 -9.270 13.421 7.907 1.00 0.00 N ATOM 884 CA GLU A 64 -10.707 13.477 7.660 1.00 0.00 C ATOM 885 C GLU A 64 -11.196 12.190 7.002 1.00 0.00 C ATOM 886 O GLU A 64 -12.370 11.836 7.103 1.00 0.00 O ATOM 887 CB GLU A 64 -11.048 14.677 6.775 1.00 0.00 C ATOM 888 CG GLU A 64 -12.532 14.809 6.475 1.00 0.00 C ATOM 889 CD GLU A 64 -13.350 15.131 7.710 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.973 16.069 8.443 1.00 0.00 O ATOM 891 OE2 GLU A 64 -14.368 14.446 7.943 1.00 0.00 O ATOM 0 H GLU A 64 -8.695 13.753 7.132 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.211 13.588 8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.702 15.588 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.502 14.592 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.680 15.592 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.894 13.879 6.036 1.00 0.00 H new ATOM 898 N GLY A 65 -10.286 11.493 6.328 1.00 0.00 N ATOM 899 CA GLY A 65 -10.643 10.254 5.662 1.00 0.00 C ATOM 900 C GLY A 65 -10.953 10.454 4.192 1.00 0.00 C ATOM 901 O GLY A 65 -11.970 9.973 3.693 1.00 0.00 O ATOM 0 H GLY A 65 -9.308 11.765 6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.824 9.542 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.510 9.816 6.157 1.00 0.00 H new ATOM 905 N LYS A 66 -10.074 11.167 3.496 1.00 0.00 N ATOM 906 CA LYS A 66 -10.258 11.431 2.073 1.00 0.00 C ATOM 907 C LYS A 66 -9.501 10.411 1.229 1.00 0.00 C ATOM 908 O LYS A 66 -8.476 9.867 1.639 1.00 0.00 O ATOM 909 CB LYS A 66 -9.784 12.845 1.730 1.00 0.00 C ATOM 910 CG LYS A 66 -10.629 13.939 2.359 1.00 0.00 C ATOM 911 CD LYS A 66 -10.242 15.312 1.836 1.00 0.00 C ATOM 912 CE LYS A 66 -10.914 15.611 0.505 1.00 0.00 C ATOM 913 NZ LYS A 66 -12.370 15.880 0.666 1.00 0.00 N ATOM 0 H LYS A 66 -9.227 11.573 3.894 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.321 11.346 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.751 12.962 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.792 12.969 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.682 13.752 2.149 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.510 13.914 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.522 16.072 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.160 15.366 1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.435 16.473 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.773 14.767 -0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.736 16.337 -0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.873 14.984 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.519 16.508 1.482 1.00 0.00 H new ATOM 927 N PRO A 67 -10.016 10.144 0.019 1.00 0.00 N ATOM 928 CA PRO A 67 -9.404 9.190 -0.909 1.00 0.00 C ATOM 929 C PRO A 67 -8.082 9.698 -1.475 1.00 0.00 C ATOM 930 O PRO A 67 -7.996 10.825 -1.964 1.00 0.00 O ATOM 931 CB PRO A 67 -10.446 9.058 -2.022 1.00 0.00 C ATOM 932 CG PRO A 67 -11.209 10.337 -1.980 1.00 0.00 C ATOM 933 CD PRO A 67 -11.236 10.755 -0.536 1.00 0.00 C ATOM 0 HA PRO A 67 -9.160 8.246 -0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.972 8.911 -2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.099 8.202 -1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.731 11.097 -2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.219 10.202 -2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.225 11.840 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.132 10.395 -0.030 1.00 0.00 H new ATOM 941 N LYS A 68 -7.053 8.860 -1.407 1.00 0.00 N ATOM 942 CA LYS A 68 -5.735 9.223 -1.914 1.00 0.00 C ATOM 943 C LYS A 68 -5.261 8.222 -2.964 1.00 0.00 C ATOM 944 O LYS A 68 -5.535 7.026 -2.862 1.00 0.00 O ATOM 945 CB LYS A 68 -4.725 9.291 -0.766 1.00 0.00 C ATOM 946 CG LYS A 68 -4.628 10.663 -0.122 1.00 0.00 C ATOM 947 CD LYS A 68 -3.690 11.576 -0.894 1.00 0.00 C ATOM 948 CE LYS A 68 -4.052 13.041 -0.698 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.718 13.517 0.672 1.00 0.00 N ATOM 0 H LYS A 68 -7.107 7.924 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.811 10.205 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.002 8.561 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.742 9.004 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.619 11.114 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.275 10.560 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.664 11.407 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.731 11.329 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.522 13.647 -1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.118 13.179 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.980 14.519 0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.243 12.956 1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.697 13.409 0.838 1.00 0.00 H new ATOM 963 N ARG A 69 -4.550 8.719 -3.970 1.00 0.00 N ATOM 964 CA ARG A 69 -4.038 7.868 -5.037 1.00 0.00 C ATOM 965 C ARG A 69 -2.640 7.356 -4.701 1.00 0.00 C ATOM 966 O ARG A 69 -1.812 8.091 -4.163 1.00 0.00 O ATOM 967 CB ARG A 69 -4.007 8.636 -6.360 1.00 0.00 C ATOM 968 CG ARG A 69 -3.687 7.763 -7.563 1.00 0.00 C ATOM 969 CD ARG A 69 -4.943 7.138 -8.148 1.00 0.00 C ATOM 970 NE ARG A 69 -5.394 5.986 -7.372 1.00 0.00 N ATOM 971 CZ ARG A 69 -6.437 5.236 -7.709 1.00 0.00 C ATOM 972 NH1 ARG A 69 -7.132 5.514 -8.803 1.00 0.00 N ATOM 973 NH2 ARG A 69 -6.786 4.204 -6.951 1.00 0.00 N ATOM 0 H ARG A 69 -4.315 9.707 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.705 7.012 -5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.974 9.114 -6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.265 9.432 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.188 8.361 -8.325 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.991 6.977 -7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.737 7.884 -8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.750 6.830 -9.175 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.880 5.744 -6.525 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.866 6.306 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.933 4.936 -9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.253 3.986 -6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.587 3.628 -7.210 1.00 0.00 H new ATOM 987 N ALA A 70 -2.385 6.092 -5.023 1.00 0.00 N ATOM 988 CA ALA A 70 -1.088 5.483 -4.757 1.00 0.00 C ATOM 989 C ALA A 70 -0.619 4.649 -5.944 1.00 0.00 C ATOM 990 O ALA A 70 -1.386 3.867 -6.506 1.00 0.00 O ATOM 991 CB ALA A 70 -1.155 4.626 -3.501 1.00 0.00 C ATOM 0 H ALA A 70 -3.060 5.470 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.364 6.283 -4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.179 4.177 -3.314 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.437 5.247 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.896 3.839 -3.637 1.00 0.00 H new ATOM 997 N ILE A 71 0.643 4.823 -6.322 1.00 0.00 N ATOM 998 CA ILE A 71 1.213 4.085 -7.443 1.00 0.00 C ATOM 999 C ILE A 71 1.531 2.647 -7.049 1.00 0.00 C ATOM 1000 O ILE A 71 1.936 2.376 -5.919 1.00 0.00 O ATOM 1001 CB ILE A 71 2.496 4.759 -7.965 1.00 0.00 C ATOM 1002 CG1 ILE A 71 2.217 6.217 -8.337 1.00 0.00 C ATOM 1003 CG2 ILE A 71 3.044 3.996 -9.163 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.467 7.063 -8.438 1.00 0.00 C ATOM 0 H ILE A 71 1.290 5.468 -5.869 1.00 0.00 H new ATOM 0 HA ILE A 71 0.464 4.085 -8.235 1.00 0.00 H new ATOM 0 HB ILE A 71 3.246 4.743 -7.174 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.690 6.246 -9.291 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.552 6.653 -7.592 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.951 4.484 -9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.275 2.972 -8.868 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.299 3.985 -9.959 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.195 8.084 -8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.984 7.064 -7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.124 6.651 -9.204 1.00 0.00 H new ATOM 1016 N VAL A 72 1.347 1.727 -7.991 1.00 0.00 N ATOM 1017 CA VAL A 72 1.618 0.316 -7.745 1.00 0.00 C ATOM 1018 C VAL A 72 2.841 -0.154 -8.525 1.00 0.00 C ATOM 1019 O VAL A 72 2.805 -0.262 -9.751 1.00 0.00 O ATOM 1020 CB VAL A 72 0.411 -0.562 -8.126 1.00 0.00 C ATOM 1021 CG1 VAL A 72 0.710 -2.028 -7.856 1.00 0.00 C ATOM 1022 CG2 VAL A 72 -0.832 -0.115 -7.371 1.00 0.00 C ATOM 0 H VAL A 72 1.011 1.934 -8.932 1.00 0.00 H new ATOM 0 HA VAL A 72 1.811 0.213 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 72 0.222 -0.446 -9.193 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.154 -2.632 -8.131 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.572 -2.338 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.927 -2.166 -6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.675 -0.746 -7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.657 -0.200 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.056 0.922 -7.621 1.00 0.00 H new ATOM 1032 N HIS A 73 3.923 -0.433 -7.806 1.00 0.00 N ATOM 1033 CA HIS A 73 5.158 -0.893 -8.431 1.00 0.00 C ATOM 1034 C HIS A 73 5.217 -2.418 -8.461 1.00 0.00 C ATOM 1035 O HIS A 73 5.271 -3.067 -7.416 1.00 0.00 O ATOM 1036 CB HIS A 73 6.371 -0.339 -7.682 1.00 0.00 C ATOM 1037 CG HIS A 73 7.570 -0.130 -8.555 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.550 0.662 -9.683 1.00 0.00 N ATOM 1039 CD2 HIS A 73 8.830 -0.614 -8.458 1.00 0.00 C ATOM 1040 CE1 HIS A 73 8.746 0.655 -10.244 1.00 0.00 C ATOM 1041 NE2 HIS A 73 9.541 -0.111 -9.520 1.00 0.00 N ATOM 0 H HIS A 73 3.970 -0.349 -6.791 1.00 0.00 H new ATOM 0 HA HIS A 73 5.175 -0.526 -9.457 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.099 0.610 -7.219 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.634 -1.024 -6.876 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.206 -1.273 -7.689 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.026 1.186 -11.142 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.524 -0.299 -9.717 1.00 0.00 H new ATOM 1049 N ASP A 74 5.205 -2.982 -9.663 1.00 0.00 N ATOM 1050 CA ASP A 74 5.257 -4.429 -9.829 1.00 0.00 C ATOM 1051 C ASP A 74 6.666 -4.883 -10.200 1.00 0.00 C ATOM 1052 O ASP A 74 7.148 -4.607 -11.298 1.00 0.00 O ATOM 1053 CB ASP A 74 4.264 -4.877 -10.903 1.00 0.00 C ATOM 1054 CG ASP A 74 2.825 -4.788 -10.434 1.00 0.00 C ATOM 1055 OD1 ASP A 74 2.341 -3.657 -10.219 1.00 0.00 O ATOM 1056 OD2 ASP A 74 2.184 -5.848 -10.281 1.00 0.00 O ATOM 0 H ASP A 74 5.160 -2.459 -10.537 1.00 0.00 H new ATOM 0 HA ASP A 74 4.985 -4.889 -8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.392 -4.260 -11.792 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.486 -5.904 -11.193 1.00 0.00 H new ATOM 1061 N ASN A 75 7.320 -5.580 -9.277 1.00 0.00 N ATOM 1062 CA ASN A 75 8.674 -6.071 -9.506 1.00 0.00 C ATOM 1063 C ASN A 75 8.658 -7.544 -9.905 1.00 0.00 C ATOM 1064 O ASN A 75 9.665 -8.086 -10.360 1.00 0.00 O ATOM 1065 CB ASN A 75 9.528 -5.880 -8.251 1.00 0.00 C ATOM 1066 CG ASN A 75 9.247 -4.562 -7.556 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.817 -3.529 -7.907 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.364 -4.593 -6.564 1.00 0.00 N ATOM 0 H ASN A 75 6.934 -5.818 -8.363 1.00 0.00 H new ATOM 0 HA ASN A 75 9.109 -5.496 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.340 -6.700 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.583 -5.927 -8.522 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.134 -3.737 -6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.916 -5.473 -6.307 1.00 0.00 H new ATOM 1075 N LYS A 76 7.508 -8.186 -9.731 1.00 0.00 N ATOM 1076 CA LYS A 76 7.359 -9.595 -10.074 1.00 0.00 C ATOM 1077 C LYS A 76 8.674 -10.344 -9.884 1.00 0.00 C ATOM 1078 O LYS A 76 9.018 -11.224 -10.673 1.00 0.00 O ATOM 1079 CB LYS A 76 6.881 -9.742 -11.521 1.00 0.00 C ATOM 1080 CG LYS A 76 7.744 -8.997 -12.525 1.00 0.00 C ATOM 1081 CD LYS A 76 7.244 -7.579 -12.746 1.00 0.00 C ATOM 1082 CE LYS A 76 7.655 -7.051 -14.112 1.00 0.00 C ATOM 1083 NZ LYS A 76 7.057 -7.849 -15.218 1.00 0.00 N ATOM 0 H LYS A 76 6.665 -7.753 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 76 6.615 -10.028 -9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.864 -10.800 -11.783 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.856 -9.378 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.774 -8.969 -12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.747 -9.535 -13.473 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.158 -7.557 -12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.640 -6.927 -11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.346 -6.010 -14.207 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.742 -7.070 -14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.958 -7.251 -16.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.674 -8.657 -15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.120 -8.196 -14.928 1.00 0.00 H new ATOM 1097 N ASP A 77 9.404 -9.990 -8.832 1.00 0.00 N ATOM 1098 CA ASP A 77 10.681 -10.630 -8.537 1.00 0.00 C ATOM 1099 C ASP A 77 10.702 -11.168 -7.109 1.00 0.00 C ATOM 1100 O ASP A 77 11.709 -11.707 -6.653 1.00 0.00 O ATOM 1101 CB ASP A 77 11.830 -9.642 -8.740 1.00 0.00 C ATOM 1102 CG ASP A 77 12.055 -9.308 -10.202 1.00 0.00 C ATOM 1103 OD1 ASP A 77 11.703 -10.143 -11.062 1.00 0.00 O ATOM 1104 OD2 ASP A 77 12.583 -8.213 -10.485 1.00 0.00 O ATOM 0 H ASP A 77 9.133 -9.263 -8.169 1.00 0.00 H new ATOM 0 HA ASP A 77 10.807 -11.467 -9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.619 -8.725 -8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.745 -10.062 -8.321 1.00 0.00 H new ATOM 1109 N GLY A 78 9.582 -11.015 -6.408 1.00 0.00 N ATOM 1110 CA GLY A 78 9.494 -11.489 -5.039 1.00 0.00 C ATOM 1111 C GLY A 78 9.248 -10.365 -4.052 1.00 0.00 C ATOM 1112 O GLY A 78 9.297 -10.572 -2.839 1.00 0.00 O ATOM 0 H GLY A 78 8.735 -10.572 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.689 -12.219 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.418 -12.004 -4.776 1.00 0.00 H new ATOM 1116 N THR A 79 8.983 -9.170 -4.571 1.00 0.00 N ATOM 1117 CA THR A 79 8.732 -8.009 -3.727 1.00 0.00 C ATOM 1118 C THR A 79 7.686 -7.092 -4.351 1.00 0.00 C ATOM 1119 O THR A 79 7.211 -7.340 -5.460 1.00 0.00 O ATOM 1120 CB THR A 79 10.021 -7.204 -3.479 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.570 -6.762 -4.725 1.00 0.00 O ATOM 1122 CG2 THR A 79 11.049 -8.045 -2.737 1.00 0.00 C ATOM 0 H THR A 79 8.937 -8.981 -5.572 1.00 0.00 H new ATOM 0 HA THR A 79 8.360 -8.386 -2.774 1.00 0.00 H new ATOM 0 HB THR A 79 9.770 -6.339 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.388 -6.249 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.951 -7.456 -2.573 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.639 -8.356 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.294 -8.926 -3.330 1.00 0.00 H new ATOM 1130 N TYR A 80 7.332 -6.032 -3.633 1.00 0.00 N ATOM 1131 CA TYR A 80 6.341 -5.078 -4.117 1.00 0.00 C ATOM 1132 C TYR A 80 6.596 -3.688 -3.541 1.00 0.00 C ATOM 1133 O TYR A 80 6.773 -3.527 -2.334 1.00 0.00 O ATOM 1134 CB TYR A 80 4.932 -5.544 -3.748 1.00 0.00 C ATOM 1135 CG TYR A 80 4.591 -6.919 -4.276 1.00 0.00 C ATOM 1136 CD1 TYR A 80 4.868 -8.059 -3.532 1.00 0.00 C ATOM 1137 CD2 TYR A 80 3.991 -7.078 -5.519 1.00 0.00 C ATOM 1138 CE1 TYR A 80 4.559 -9.317 -4.011 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.677 -8.332 -6.006 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.963 -9.449 -5.248 1.00 0.00 C ATOM 1141 OH TYR A 80 3.653 -10.701 -5.729 1.00 0.00 O ATOM 0 H TYR A 80 7.716 -5.812 -2.714 1.00 0.00 H new ATOM 0 HA TYR A 80 6.426 -5.023 -5.202 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.832 -5.546 -2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.208 -4.826 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.333 -7.960 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.766 -6.206 -6.115 1.00 0.00 H new ATOM 0 HE1 TYR A 80 4.783 -10.193 -3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.210 -8.438 -6.974 1.00 0.00 H new ATOM 0 HH TYR A 80 3.238 -10.618 -6.613 1.00 0.00 H new ATOM 1151 N ALA A 81 6.613 -2.687 -4.415 1.00 0.00 N ATOM 1152 CA ALA A 81 6.843 -1.310 -3.995 1.00 0.00 C ATOM 1153 C ALA A 81 5.606 -0.450 -4.231 1.00 0.00 C ATOM 1154 O ALA A 81 4.879 -0.644 -5.205 1.00 0.00 O ATOM 1155 CB ALA A 81 8.041 -0.728 -4.731 1.00 0.00 C ATOM 0 H ALA A 81 6.470 -2.804 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 81 7.053 -1.312 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.202 0.301 -4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.928 -1.321 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.852 -0.746 -5.804 1.00 0.00 H new ATOM 1161 N VAL A 82 5.372 0.500 -3.332 1.00 0.00 N ATOM 1162 CA VAL A 82 4.223 1.391 -3.442 1.00 0.00 C ATOM 1163 C VAL A 82 4.609 2.829 -3.117 1.00 0.00 C ATOM 1164 O VAL A 82 5.164 3.111 -2.054 1.00 0.00 O ATOM 1165 CB VAL A 82 3.082 0.953 -2.505 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.907 1.913 -2.609 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.647 -0.470 -2.823 1.00 0.00 C ATOM 0 H VAL A 82 5.963 0.673 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 82 3.877 1.336 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 82 3.450 0.976 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.111 1.587 -1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.230 2.915 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.537 1.925 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.840 -0.763 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.297 -0.522 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.492 -1.147 -2.692 1.00 0.00 H new ATOM 1177 N THR A 83 4.311 3.739 -4.039 1.00 0.00 N ATOM 1178 CA THR A 83 4.627 5.150 -3.852 1.00 0.00 C ATOM 1179 C THR A 83 3.371 5.958 -3.546 1.00 0.00 C ATOM 1180 O THR A 83 2.287 5.651 -4.041 1.00 0.00 O ATOM 1181 CB THR A 83 5.314 5.741 -5.097 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.322 4.842 -5.574 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.941 7.091 -4.779 1.00 0.00 C ATOM 0 H THR A 83 3.851 3.524 -4.924 1.00 0.00 H new ATOM 0 HA THR A 83 5.311 5.212 -3.005 1.00 0.00 H new ATOM 0 HB THR A 83 4.558 5.882 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.753 5.224 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.420 7.489 -5.673 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.167 7.782 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.685 6.970 -3.992 1.00 0.00 H new ATOM 1191 N TYR A 84 3.525 6.994 -2.728 1.00 0.00 N ATOM 1192 CA TYR A 84 2.403 7.846 -2.355 1.00 0.00 C ATOM 1193 C TYR A 84 2.871 9.271 -2.073 1.00 0.00 C ATOM 1194 O TYR A 84 3.802 9.487 -1.296 1.00 0.00 O ATOM 1195 CB TYR A 84 1.691 7.279 -1.126 1.00 0.00 C ATOM 1196 CG TYR A 84 2.341 7.666 0.183 1.00 0.00 C ATOM 1197 CD1 TYR A 84 3.367 6.902 0.725 1.00 0.00 C ATOM 1198 CD2 TYR A 84 1.929 8.797 0.878 1.00 0.00 C ATOM 1199 CE1 TYR A 84 3.963 7.252 1.921 1.00 0.00 C ATOM 1200 CE2 TYR A 84 2.521 9.155 2.074 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.537 8.379 2.592 1.00 0.00 C ATOM 1202 OH TYR A 84 4.129 8.732 3.783 1.00 0.00 O ATOM 0 H TYR A 84 4.416 7.263 -2.311 1.00 0.00 H new ATOM 0 HA TYR A 84 1.705 7.871 -3.192 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.657 7.624 -1.124 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.664 6.192 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.704 6.019 0.202 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.133 9.406 0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.759 6.646 2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.190 10.038 2.601 1.00 0.00 H new ATOM 0 HH TYR A 84 4.646 7.975 4.128 1.00 0.00 H new ATOM 1212 N ILE A 85 2.218 10.238 -2.708 1.00 0.00 N ATOM 1213 CA ILE A 85 2.565 11.641 -2.525 1.00 0.00 C ATOM 1214 C ILE A 85 1.524 12.359 -1.673 1.00 0.00 C ATOM 1215 O ILE A 85 0.488 12.809 -2.164 1.00 0.00 O ATOM 1216 CB ILE A 85 2.698 12.370 -3.876 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.814 11.741 -4.711 1.00 0.00 C ATOM 1218 CG2 ILE A 85 2.964 13.851 -3.655 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.638 11.937 -6.201 1.00 0.00 C ATOM 0 H ILE A 85 1.446 10.075 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 85 3.527 11.663 -2.013 1.00 0.00 H new ATOM 0 HB ILE A 85 1.760 12.268 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.769 12.169 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.860 10.673 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.055 14.352 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.138 14.289 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.890 13.974 -3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.466 11.465 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.699 11.484 -6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.622 13.003 -6.428 1.00 0.00 H new ATOM 1231 N PRO A 86 1.803 12.470 -0.366 1.00 0.00 N ATOM 1232 CA PRO A 86 0.903 13.134 0.582 1.00 0.00 C ATOM 1233 C PRO A 86 0.844 14.643 0.366 1.00 0.00 C ATOM 1234 O PRO A 86 1.855 15.336 0.483 1.00 0.00 O ATOM 1235 CB PRO A 86 1.523 12.813 1.944 1.00 0.00 C ATOM 1236 CG PRO A 86 2.965 12.574 1.657 1.00 0.00 C ATOM 1237 CD PRO A 86 3.018 11.956 0.287 1.00 0.00 C ATOM 0 HA PRO A 86 -0.126 12.791 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.390 13.638 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.058 11.936 2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.528 13.507 1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.406 11.911 2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.919 12.250 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.017 10.867 0.337 1.00 0.00 H new ATOM 1245 N ASP A 87 -0.344 15.144 0.050 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.535 16.572 -0.181 1.00 0.00 C ATOM 1247 C ASP A 87 -0.847 17.297 1.125 1.00 0.00 C ATOM 1248 O ASP A 87 -0.081 18.151 1.572 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.663 16.801 -1.188 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.623 18.189 -1.795 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -2.227 19.112 -1.209 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -0.987 18.354 -2.857 1.00 0.00 O ATOM 0 H ASP A 87 -1.190 14.583 -0.052 1.00 0.00 H new ATOM 0 HA ASP A 87 0.392 16.976 -0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.593 16.058 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.623 16.651 -0.694 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.976 16.950 1.733 1.00 0.00 N ATOM 1258 CA LYS A 88 -2.391 17.567 2.987 1.00 0.00 C ATOM 1259 C LYS A 88 -1.678 16.922 4.172 1.00 0.00 C ATOM 1260 O LYS A 88 -1.986 15.793 4.555 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.906 17.446 3.163 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.696 18.451 2.342 1.00 0.00 C ATOM 1263 CD LYS A 88 -6.187 18.340 2.609 1.00 0.00 C ATOM 1264 CE LYS A 88 -6.597 19.156 3.826 1.00 0.00 C ATOM 1265 NZ LYS A 88 -6.569 20.619 3.548 1.00 0.00 N ATOM 0 H LYS A 88 -2.621 16.244 1.377 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.119 18.622 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.216 16.439 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.153 17.576 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.358 19.460 2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.502 18.288 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.741 18.684 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.453 17.294 2.764 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.600 18.865 4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.928 18.931 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.115 21.121 4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.585 20.956 3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.987 20.803 2.614 1.00 0.00 H new ATOM 1279 N THR A 89 -0.726 17.647 4.750 1.00 0.00 N ATOM 1280 CA THR A 89 0.030 17.146 5.891 1.00 0.00 C ATOM 1281 C THR A 89 -0.886 16.861 7.075 1.00 0.00 C ATOM 1282 O THR A 89 -1.758 17.664 7.405 1.00 0.00 O ATOM 1283 CB THR A 89 1.118 18.146 6.327 1.00 0.00 C ATOM 1284 OG1 THR A 89 0.526 19.416 6.619 1.00 0.00 O ATOM 1285 CG2 THR A 89 2.170 18.308 5.241 1.00 0.00 C ATOM 0 H THR A 89 -0.460 18.584 4.447 1.00 0.00 H new ATOM 0 HA THR A 89 0.506 16.219 5.572 1.00 0.00 H new ATOM 0 HB THR A 89 1.601 17.757 7.223 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.223 20.046 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.928 19.019 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.639 17.344 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.699 18.677 4.330 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.683 15.712 7.712 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.499 15.342 8.854 1.00 0.00 C ATOM 1295 C GLY A 90 -1.570 13.841 9.054 1.00 0.00 C ATOM 1296 O GLY A 90 -0.864 13.085 8.386 1.00 0.00 O ATOM 0 H GLY A 90 0.032 15.031 7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.093 15.806 9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.507 15.736 8.719 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.422 13.408 9.977 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.579 11.988 10.266 1.00 0.00 C ATOM 1302 C ARG A 91 -2.849 11.200 8.987 1.00 0.00 C ATOM 1303 O ARG A 91 -3.813 11.472 8.270 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.720 11.771 11.261 1.00 0.00 C ATOM 1305 CG ARG A 91 -3.615 10.466 12.034 1.00 0.00 C ATOM 1306 CD ARG A 91 -4.988 9.928 12.407 1.00 0.00 C ATOM 1307 NE ARG A 91 -5.643 10.754 13.419 1.00 0.00 N ATOM 1308 CZ ARG A 91 -6.861 10.512 13.888 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -7.554 9.474 13.440 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -7.389 11.309 14.808 1.00 0.00 N ATOM 0 H ARG A 91 -3.014 14.020 10.538 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.649 11.628 10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.738 12.601 11.967 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.668 11.790 10.723 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.084 9.727 11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.027 10.623 12.938 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.614 9.882 11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.889 8.908 12.780 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.137 11.560 13.785 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.151 8.859 12.733 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.490 9.291 13.802 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.859 12.108 15.155 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.325 11.122 15.168 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.992 10.224 8.707 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.136 9.399 7.514 1.00 0.00 C ATOM 1326 C TYR A 92 -2.319 7.931 7.885 1.00 0.00 C ATOM 1327 O TYR A 92 -1.416 7.302 8.438 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.915 9.560 6.607 1.00 0.00 C ATOM 1329 CG TYR A 92 -1.039 10.699 5.620 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.882 10.602 4.520 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.312 11.871 5.787 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.998 11.640 3.616 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.422 12.914 4.889 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.266 12.794 3.804 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.378 13.830 2.906 1.00 0.00 O ATOM 0 H TYR A 92 -1.190 9.985 9.290 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.025 9.732 6.978 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.032 9.721 7.226 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.755 8.631 6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.456 9.700 4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.351 11.968 6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.658 11.549 2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.149 13.819 5.035 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.863 14.573 3.323 1.00 0.00 H new ATOM 1345 N MET A 93 -3.493 7.391 7.577 1.00 0.00 N ATOM 1346 CA MET A 93 -3.794 5.996 7.876 1.00 0.00 C ATOM 1347 C MET A 93 -3.748 5.146 6.610 1.00 0.00 C ATOM 1348 O MET A 93 -4.507 5.378 5.669 1.00 0.00 O ATOM 1349 CB MET A 93 -5.171 5.879 8.534 1.00 0.00 C ATOM 1350 CG MET A 93 -5.368 4.583 9.305 1.00 0.00 C ATOM 1351 SD MET A 93 -4.670 4.651 10.966 1.00 0.00 S ATOM 1352 CE MET A 93 -6.133 5.019 11.933 1.00 0.00 C ATOM 0 H MET A 93 -4.251 7.898 7.121 1.00 0.00 H new ATOM 0 HA MET A 93 -3.036 5.627 8.567 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.313 6.721 9.212 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.940 5.955 7.765 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.433 4.363 9.371 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.907 3.763 8.754 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.864 5.093 12.987 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.560 5.965 11.601 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.866 4.223 11.801 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.855 4.162 6.596 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.712 3.278 5.445 1.00 0.00 C ATOM 1364 C ILE A 94 -3.215 1.875 5.765 1.00 0.00 C ATOM 1365 O ILE A 94 -2.843 1.287 6.780 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.246 3.193 4.980 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.758 4.564 4.507 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.102 2.162 3.871 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.742 4.737 4.604 1.00 0.00 C ATOM 0 H ILE A 94 -2.220 3.957 7.368 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.315 3.703 4.642 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.630 2.880 5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.067 4.714 3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.244 5.338 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.061 2.113 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.415 1.185 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.727 2.448 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.017 5.731 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.056 4.619 5.641 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.236 3.985 3.988 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.062 1.342 4.890 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.601 0.010 5.096 1.00 0.00 C ATOM 1383 C GLY A 95 -4.155 -0.967 4.026 1.00 0.00 C ATOM 1384 O GLY A 95 -4.719 -1.002 2.933 1.00 0.00 O ATOM 0 H GLY A 95 -4.385 1.808 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.288 -0.358 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.690 0.060 5.108 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.138 -1.763 4.341 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.616 -2.746 3.399 1.00 0.00 C ATOM 1390 C VAL A 96 -3.405 -4.048 3.469 1.00 0.00 C ATOM 1391 O VAL A 96 -3.590 -4.619 4.545 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.128 -3.044 3.667 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.607 -4.082 2.684 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.307 -1.766 3.591 1.00 0.00 C ATOM 0 H VAL A 96 -2.659 -1.746 5.241 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.719 -2.316 2.403 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.032 -3.451 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.445 -4.280 2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.178 -5.004 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.715 -3.706 1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.741 -1.995 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.407 -1.328 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.666 -1.058 4.338 1.00 0.00 H new ATOM 1404 N THR A 97 -3.869 -4.516 2.314 1.00 0.00 N ATOM 1405 CA THR A 97 -4.639 -5.751 2.244 1.00 0.00 C ATOM 1406 C THR A 97 -4.009 -6.737 1.267 1.00 0.00 C ATOM 1407 O THR A 97 -3.484 -6.344 0.225 1.00 0.00 O ATOM 1408 CB THR A 97 -6.095 -5.482 1.817 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.125 -4.512 0.764 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.921 -4.985 2.994 1.00 0.00 C ATOM 0 H THR A 97 -3.724 -4.058 1.414 1.00 0.00 H new ATOM 0 HA THR A 97 -4.635 -6.183 3.245 1.00 0.00 H new ATOM 0 HB THR A 97 -6.525 -6.418 1.461 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.053 -4.348 0.497 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.945 -4.802 2.668 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.920 -5.737 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.491 -4.059 3.375 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.065 -8.019 1.609 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.498 -9.062 0.762 1.00 0.00 C ATOM 1420 C TYR A 98 -4.438 -10.260 0.671 1.00 0.00 C ATOM 1421 O TYR A 98 -4.846 -10.823 1.686 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.139 -9.506 1.305 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.193 -10.003 0.236 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.367 -9.124 -0.453 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.124 -11.353 -0.085 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.498 -9.574 -1.432 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.261 -11.813 -1.061 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.548 -10.919 -1.732 1.00 0.00 C ATOM 1429 OH TYR A 98 1.409 -11.372 -2.705 1.00 0.00 O ATOM 0 H TYR A 98 -4.497 -8.361 2.467 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.365 -8.650 -0.239 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.675 -8.670 1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.291 -10.297 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.402 -8.070 -0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.756 -12.055 0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.131 -8.876 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.220 -12.866 -1.297 1.00 0.00 H new ATOM 0 HH TYR A 98 1.321 -12.344 -2.792 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.777 -10.646 -0.556 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.665 -11.775 -0.760 1.00 0.00 C ATOM 1441 C GLY A 99 -6.989 -11.608 -0.041 1.00 0.00 C ATOM 1442 O GLY A 99 -7.581 -12.583 0.419 1.00 0.00 O ATOM 0 H GLY A 99 -4.452 -10.196 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.848 -11.901 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.177 -12.685 -0.410 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.456 -10.367 0.057 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.714 -10.098 0.728 1.00 0.00 C ATOM 1448 C GLY A 100 -8.600 -10.195 2.236 1.00 0.00 C ATOM 1449 O GLY A 100 -9.581 -10.479 2.923 1.00 0.00 O ATOM 0 H GLY A 100 -6.985 -9.543 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.061 -9.101 0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.467 -10.804 0.378 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.398 -9.962 2.753 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.159 -10.026 4.190 1.00 0.00 C ATOM 1455 C ASP A 101 -6.189 -8.932 4.628 1.00 0.00 C ATOM 1456 O ASP A 101 -5.099 -8.797 4.074 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.606 -11.399 4.576 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.704 -12.409 4.847 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.754 -12.012 5.395 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -7.513 -13.596 4.510 1.00 0.00 O ATOM 0 H ASP A 101 -6.575 -9.727 2.198 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.110 -9.870 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.966 -11.768 3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.981 -11.299 5.463 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.595 -8.154 5.626 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.763 -7.072 6.139 1.00 0.00 C ATOM 1467 C ASP A 102 -4.745 -7.600 7.145 1.00 0.00 C ATOM 1468 O ASP A 102 -5.106 -8.269 8.114 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.632 -5.996 6.790 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.895 -6.566 7.405 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.785 -7.319 8.395 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -8.994 -6.260 6.896 1.00 0.00 O ATOM 0 H ASP A 102 -7.495 -8.253 6.096 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.223 -6.632 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.055 -5.484 7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.900 -5.249 6.043 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.474 -7.295 6.909 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.405 -7.738 7.795 1.00 0.00 C ATOM 1479 C ILE A 103 -2.612 -7.215 9.212 1.00 0.00 C ATOM 1480 O ILE A 103 -3.263 -6.193 9.434 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.025 -7.279 7.286 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.074 -5.806 6.875 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.575 -8.146 6.120 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.288 -5.214 6.587 1.00 0.00 C ATOM 0 H ILE A 103 -3.159 -6.743 6.111 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.435 -8.828 7.805 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.301 -7.388 8.094 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.700 -5.705 5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.551 -5.231 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.401 -7.809 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.506 -9.184 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.297 -8.067 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.177 -4.168 6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.911 -5.283 7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.759 -5.764 5.772 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.045 -7.929 10.195 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.152 -7.554 11.608 1.00 0.00 C ATOM 1498 C PRO A 104 -1.360 -6.293 11.935 1.00 0.00 C ATOM 1499 O PRO A 104 -1.366 -5.821 13.073 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.561 -8.761 12.341 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.637 -9.388 11.355 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.256 -9.157 10.004 1.00 0.00 C ATOM 0 HA PRO A 104 -3.179 -7.326 11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.030 -8.456 13.242 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.341 -9.457 12.651 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.356 -8.941 11.411 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.519 -10.453 11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.498 -9.031 9.231 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -1.884 -9.995 9.701 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.681 -5.750 10.931 1.00 0.00 N ATOM 1511 CA LEU A 105 0.116 -4.541 11.111 1.00 0.00 C ATOM 1512 C LEU A 105 -0.694 -3.297 10.760 1.00 0.00 C ATOM 1513 O LEU A 105 -0.432 -2.209 11.271 1.00 0.00 O ATOM 1514 CB LEU A 105 1.376 -4.604 10.247 1.00 0.00 C ATOM 1515 CG LEU A 105 2.406 -5.665 10.638 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.556 -5.684 9.643 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.922 -5.414 12.047 1.00 0.00 C ATOM 0 H LEU A 105 -0.666 -6.127 9.984 1.00 0.00 H new ATOM 0 HA LEU A 105 0.405 -4.479 12.160 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.076 -4.781 9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.861 -3.628 10.275 1.00 0.00 H new ATOM 0 HG LEU A 105 1.920 -6.640 10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.279 -6.445 9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.173 -5.913 8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.041 -4.708 9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.654 -6.179 12.308 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.392 -4.431 12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.091 -5.452 12.751 1.00 0.00 H new ATOM 1529 N SER A 106 -1.681 -3.467 9.886 1.00 0.00 N ATOM 1530 CA SER A 106 -2.529 -2.358 9.465 1.00 0.00 C ATOM 1531 C SER A 106 -3.679 -2.151 10.446 1.00 0.00 C ATOM 1532 O SER A 106 -4.107 -3.070 11.144 1.00 0.00 O ATOM 1533 CB SER A 106 -3.081 -2.615 8.062 1.00 0.00 C ATOM 1534 OG SER A 106 -4.328 -3.286 8.119 1.00 0.00 O ATOM 0 H SER A 106 -1.913 -4.362 9.456 1.00 0.00 H new ATOM 0 HA SER A 106 -1.921 -1.454 9.449 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.198 -1.668 7.535 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.369 -3.212 7.492 1.00 0.00 H new ATOM 0 HG SER A 106 -4.660 -3.437 7.209 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.192 -0.913 10.502 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.690 0.190 9.676 1.00 0.00 C ATOM 1542 C PRO A 107 -2.297 0.643 10.098 1.00 0.00 C ATOM 1543 O PRO A 107 -1.697 0.071 11.009 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.711 1.305 9.916 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.293 1.005 11.254 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.301 -0.494 11.375 1.00 0.00 C ATOM 0 HA PRO A 107 -3.590 -0.097 8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.236 2.286 9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.479 1.311 9.143 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.699 1.458 12.048 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.302 1.409 11.340 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.145 -0.815 12.405 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.251 -0.918 11.050 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.787 1.672 9.431 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.463 2.200 9.736 1.00 0.00 C ATOM 1556 C TYR A 108 -0.538 3.678 10.107 1.00 0.00 C ATOM 1557 O TYR A 108 -1.134 4.481 9.388 1.00 0.00 O ATOM 1558 CB TYR A 108 0.473 2.010 8.541 1.00 0.00 C ATOM 1559 CG TYR A 108 1.224 0.698 8.564 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.567 -0.505 8.340 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.592 0.662 8.808 1.00 0.00 C ATOM 1562 CE1 TYR A 108 1.250 -1.706 8.360 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.283 -0.534 8.828 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.607 -1.715 8.604 1.00 0.00 C ATOM 1565 OH TYR A 108 3.291 -2.909 8.624 1.00 0.00 O ATOM 0 H TYR A 108 -2.271 2.157 8.675 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.068 1.649 10.590 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.109 2.070 7.621 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.191 2.830 8.518 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.496 -0.502 8.147 1.00 0.00 H new ATOM 0 HD2 TYR A 108 3.124 1.585 8.985 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.724 -2.633 8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.346 -0.544 9.018 1.00 0.00 H new ATOM 0 HH TYR A 108 4.239 -2.740 8.808 1.00 0.00 H new ATOM 1575 N ARG A 109 0.072 4.030 11.234 1.00 0.00 N ATOM 1576 CA ARG A 109 0.074 5.411 11.703 1.00 0.00 C ATOM 1577 C ARG A 109 1.309 6.153 11.200 1.00 0.00 C ATOM 1578 O ARG A 109 2.435 5.679 11.353 1.00 0.00 O ATOM 1579 CB ARG A 109 0.027 5.454 13.231 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.270 4.918 13.815 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.055 4.327 15.200 1.00 0.00 C ATOM 1582 NE ARG A 109 -2.312 4.152 15.922 1.00 0.00 N ATOM 1583 CZ ARG A 109 -3.053 5.163 16.363 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -2.664 6.414 16.156 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -4.185 4.924 17.012 1.00 0.00 N ATOM 0 H ARG A 109 0.571 3.378 11.839 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.813 5.905 11.306 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.861 4.876 13.628 1.00 0.00 H new ATOM 0 HB3 ARG A 109 0.167 6.483 13.562 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.004 5.721 13.871 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.681 4.156 13.153 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.552 3.364 15.109 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.395 4.978 15.773 1.00 0.00 H new ATOM 0 HE ARG A 109 -2.639 3.202 16.097 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.794 6.602 15.657 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.235 7.188 16.496 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.487 3.963 17.173 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -4.753 5.701 17.350 1.00 0.00 H new ATOM 1599 N ILE A 110 1.089 7.319 10.601 1.00 0.00 N ATOM 1600 CA ILE A 110 2.184 8.126 10.077 1.00 0.00 C ATOM 1601 C ILE A 110 1.854 9.613 10.147 1.00 0.00 C ATOM 1602 O ILE A 110 0.690 10.005 10.054 1.00 0.00 O ATOM 1603 CB ILE A 110 2.512 7.752 8.619 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.302 6.253 8.394 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.940 8.150 8.278 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.832 5.762 7.065 1.00 0.00 C ATOM 0 H ILE A 110 0.163 7.725 10.467 1.00 0.00 H new ATOM 0 HA ILE A 110 3.054 7.920 10.701 1.00 0.00 H new ATOM 0 HB ILE A 110 1.837 8.297 7.959 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.790 5.701 9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.237 6.030 8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.156 7.879 7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 110 4.057 9.226 8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.631 7.630 8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.649 4.691 6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.326 6.287 6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.904 5.953 7.008 1.00 0.00 H new ATOM 1618 N ARG A 111 2.884 10.435 10.309 1.00 0.00 N ATOM 1619 CA ARG A 111 2.704 11.880 10.391 1.00 0.00 C ATOM 1620 C ARG A 111 3.552 12.594 9.343 1.00 0.00 C ATOM 1621 O ARG A 111 4.780 12.526 9.373 1.00 0.00 O ATOM 1622 CB ARG A 111 3.070 12.383 11.789 1.00 0.00 C ATOM 1623 CG ARG A 111 2.019 12.074 12.842 1.00 0.00 C ATOM 1624 CD ARG A 111 2.232 12.901 14.101 1.00 0.00 C ATOM 1625 NE ARG A 111 1.014 13.005 14.900 1.00 0.00 N ATOM 1626 CZ ARG A 111 -0.011 13.786 14.579 1.00 0.00 C ATOM 1627 NH1 ARG A 111 0.035 14.528 13.481 1.00 0.00 N ATOM 1628 NH2 ARG A 111 -1.085 13.827 15.357 1.00 0.00 N ATOM 0 H ARG A 111 3.853 10.126 10.386 1.00 0.00 H new ATOM 0 HA ARG A 111 1.655 12.102 10.196 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.017 11.935 12.091 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.226 13.461 11.749 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.027 12.274 12.437 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.053 11.014 13.092 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.022 12.450 14.702 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.571 13.900 13.826 1.00 0.00 H new ATOM 0 HE ARG A 111 0.947 12.447 15.751 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.859 14.500 12.881 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.754 15.127 13.237 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.124 13.258 16.203 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.872 14.427 15.109 1.00 0.00 H new ATOM 1642 N ALA A 112 2.888 13.278 8.418 1.00 0.00 N ATOM 1643 CA ALA A 112 3.580 14.006 7.362 1.00 0.00 C ATOM 1644 C ALA A 112 4.139 15.327 7.881 1.00 0.00 C ATOM 1645 O ALA A 112 3.387 16.245 8.210 1.00 0.00 O ATOM 1646 CB ALA A 112 2.644 14.252 6.188 1.00 0.00 C ATOM 0 H ALA A 112 1.871 13.343 8.378 1.00 0.00 H new ATOM 0 HA ALA A 112 4.417 13.395 7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.175 14.797 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.297 13.297 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.788 14.839 6.522 1.00 0.00 H new ATOM 1652 N THR A 113 5.463 15.417 7.952 1.00 0.00 N ATOM 1653 CA THR A 113 6.122 16.625 8.432 1.00 0.00 C ATOM 1654 C THR A 113 6.872 17.327 7.306 1.00 0.00 C ATOM 1655 O THR A 113 7.385 16.681 6.393 1.00 0.00 O ATOM 1656 CB THR A 113 7.108 16.311 9.573 1.00 0.00 C ATOM 1657 OG1 THR A 113 7.826 17.494 9.941 1.00 0.00 O ATOM 1658 CG2 THR A 113 8.090 15.226 9.156 1.00 0.00 C ATOM 0 H THR A 113 6.100 14.667 7.683 1.00 0.00 H new ATOM 0 HA THR A 113 5.339 17.284 8.809 1.00 0.00 H new ATOM 0 HB THR A 113 6.536 15.953 10.429 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.449 17.286 10.668 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.776 15.021 9.978 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.543 14.317 8.905 1.00 0.00 H new ATOM 0 HG23 THR A 113 8.655 15.561 8.286 1.00 0.00 H new