USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 745 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 80 THR OG1 : rot -2:sc= -3.69! USER MOD Set 1.2: A 83 HIS : no HD1:sc= -1.53! C(o=-5.2!,f=-17!) USER MOD Set 2.1: A 46 HIS : no HE2:sc= 1.06 K(o=-5.8,f=-14!) USER MOD Set 2.2: A 47 GLN : amide:sc= -6.83! C(o=-5.8!,f=-5.9!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 148:sc= 0.785 (180deg=0.198) USER MOD Single : A 32 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.5!) USER MOD Single : A 37 ASN : amide:sc= -0.637 K(o=-0.64,f=-3) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.16 F(o=-2.7!,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= -0.151 (180deg=-0.938) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.193 (180deg=-0.852) USER MOD Single : A 51 MET CE :methyl -151:sc= 0 (180deg=-1.55) USER MOD Single : A 52 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.84 K(o=0.84,f=-2.6!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 76 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A 90 ASN : amide:sc= -0.0199 K(o=-0.02,f=-1.6!) USER MOD Single : A 94 THR OG1 : rot 72:sc= 0.818 USER MOD Single : A 96 GLN :FLIP amide:sc= -2.89! C(o=-5.8!,f=-2.9!) USER MOD Single : A 99 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.3!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 79:sc= 1.19 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 117 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=-0.4) USER MOD Single : A 119 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.6!) USER MOD Single : A 123 ASN : amide:sc= -3.51! C(o=-3.5!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 274 N PHE A 21 -5.648 -12.300 -4.644 1.00 0.00 N ATOM 275 CA PHE A 21 -4.287 -11.775 -4.646 1.00 0.00 C ATOM 276 C PHE A 21 -3.404 -12.572 -3.692 1.00 0.00 C ATOM 277 O PHE A 21 -2.250 -12.868 -4.000 1.00 0.00 O ATOM 278 CB PHE A 21 -4.294 -10.304 -4.228 1.00 0.00 C ATOM 279 CG PHE A 21 -2.902 -9.735 -4.368 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.495 -9.165 -5.581 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.016 -9.780 -3.286 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.204 -8.640 -5.711 1.00 0.00 C ATOM 283 CE2 PHE A 21 -0.725 -9.254 -3.415 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.319 -8.684 -4.627 1.00 0.00 C ATOM 0 HA PHE A 21 -3.885 -11.864 -5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.992 -9.742 -4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.635 -10.209 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.178 -9.131 -6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.328 -10.221 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.891 -8.201 -6.647 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.042 -9.288 -2.579 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.677 -8.278 -4.726 1.00 0.00 H new ATOM 294 N TYR A 22 -3.955 -12.912 -2.532 1.00 0.00 N ATOM 295 CA TYR A 22 -3.207 -13.671 -1.536 1.00 0.00 C ATOM 296 C TYR A 22 -2.699 -14.982 -2.128 1.00 0.00 C ATOM 297 O TYR A 22 -1.569 -15.394 -1.870 1.00 0.00 O ATOM 298 CB TYR A 22 -4.098 -13.968 -0.330 1.00 0.00 C ATOM 299 CG TYR A 22 -3.286 -14.665 0.736 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.589 -13.912 1.689 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.233 -16.063 0.773 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.839 -14.557 2.678 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.482 -16.708 1.762 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.783 -15.955 2.715 1.00 0.00 C ATOM 305 OH TYR A 22 -1.043 -16.592 3.690 1.00 0.00 O ATOM 0 H TYR A 22 -4.909 -12.677 -2.259 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.352 -13.073 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.516 -13.042 0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.938 -14.594 -0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.631 -12.833 1.660 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.771 -16.644 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.303 -13.976 3.414 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.441 -17.787 1.791 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.113 -17.562 3.572 1.00 0.00 H new ATOM 315 N GLY A 23 -3.544 -15.636 -2.920 1.00 0.00 N ATOM 316 CA GLY A 23 -3.167 -16.902 -3.538 1.00 0.00 C ATOM 317 C GLY A 23 -1.904 -16.744 -4.379 1.00 0.00 C ATOM 318 O GLY A 23 -1.009 -17.588 -4.335 1.00 0.00 O ATOM 0 H GLY A 23 -4.485 -15.314 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.002 -17.653 -2.766 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.983 -17.262 -4.165 1.00 0.00 H new ATOM 322 N LYS A 24 -1.836 -15.657 -5.143 1.00 0.00 N ATOM 323 CA LYS A 24 -0.670 -15.401 -5.986 1.00 0.00 C ATOM 324 C LYS A 24 0.582 -15.236 -5.131 1.00 0.00 C ATOM 325 O LYS A 24 1.667 -15.676 -5.513 1.00 0.00 O ATOM 326 CB LYS A 24 -0.888 -14.134 -6.822 1.00 0.00 C ATOM 327 CG LYS A 24 -1.822 -14.433 -8.002 1.00 0.00 C ATOM 328 CD LYS A 24 -3.264 -14.581 -7.507 1.00 0.00 C ATOM 329 CE LYS A 24 -4.205 -14.688 -8.708 1.00 0.00 C ATOM 330 NZ LYS A 24 -3.977 -15.984 -9.408 1.00 0.00 N ATOM 0 H LYS A 24 -2.565 -14.946 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.536 -16.254 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.316 -13.348 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.069 -13.763 -7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.762 -13.630 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.506 -15.348 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.355 -15.467 -6.879 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.538 -13.725 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.242 -14.619 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.033 -13.858 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.871 -16.316 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.272 -15.852 -10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.629 -16.689 -8.728 1.00 0.00 H new ATOM 344 N VAL A 25 0.426 -14.598 -3.975 1.00 0.00 N ATOM 345 CA VAL A 25 1.552 -14.377 -3.075 1.00 0.00 C ATOM 346 C VAL A 25 2.119 -15.706 -2.585 1.00 0.00 C ATOM 347 O VAL A 25 3.334 -15.872 -2.483 1.00 0.00 O ATOM 348 CB VAL A 25 1.108 -13.542 -1.872 1.00 0.00 C ATOM 349 CG1 VAL A 25 2.243 -13.483 -0.847 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.765 -12.123 -2.334 1.00 0.00 C ATOM 0 H VAL A 25 -0.464 -14.227 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 25 2.327 -13.842 -3.625 1.00 0.00 H new ATOM 0 HB VAL A 25 0.229 -13.999 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.928 -12.888 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.489 -14.493 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.121 -13.026 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.449 -11.528 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.644 -11.666 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.042 -12.164 -3.065 1.00 0.00 H new ATOM 360 N LEU A 26 1.229 -16.644 -2.279 1.00 0.00 N ATOM 361 CA LEU A 26 1.648 -17.954 -1.795 1.00 0.00 C ATOM 362 C LEU A 26 2.470 -18.675 -2.861 1.00 0.00 C ATOM 363 O LEU A 26 3.454 -19.348 -2.551 1.00 0.00 O ATOM 364 CB LEU A 26 0.416 -18.792 -1.440 1.00 0.00 C ATOM 365 CG LEU A 26 0.741 -19.742 -0.281 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.993 -20.557 -0.610 1.00 0.00 C ATOM 367 CD2 LEU A 26 0.989 -18.930 0.995 1.00 0.00 C ATOM 0 H LEU A 26 0.219 -16.523 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 26 2.264 -17.819 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.411 -18.138 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.093 -19.364 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.101 -20.418 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.217 -21.229 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.820 -21.140 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.835 -19.883 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.220 -19.607 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.827 -18.251 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.097 -18.354 1.239 1.00 0.00 H new ATOM 379 N ALA A 27 2.063 -18.527 -4.119 1.00 0.00 N ATOM 380 CA ALA A 27 2.774 -19.168 -5.220 1.00 0.00 C ATOM 381 C ALA A 27 4.185 -18.604 -5.340 1.00 0.00 C ATOM 382 O ALA A 27 5.138 -19.341 -5.592 1.00 0.00 O ATOM 383 CB ALA A 27 2.023 -18.948 -6.536 1.00 0.00 C ATOM 0 H ALA A 27 1.253 -17.974 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 27 2.832 -20.237 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.564 -19.431 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.023 -19.376 -6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.946 -17.879 -6.737 1.00 0.00 H new ATOM 389 N ASP A 28 4.312 -17.293 -5.158 1.00 0.00 N ATOM 390 CA ASP A 28 5.615 -16.646 -5.249 1.00 0.00 C ATOM 391 C ASP A 28 6.323 -16.670 -3.897 1.00 0.00 C ATOM 392 O ASP A 28 6.076 -15.823 -3.040 1.00 0.00 O ATOM 393 CB ASP A 28 5.443 -15.200 -5.716 1.00 0.00 C ATOM 394 CG ASP A 28 6.808 -14.560 -5.942 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.784 -15.290 -5.976 1.00 0.00 O ATOM 396 OD2 ASP A 28 6.855 -13.349 -6.082 1.00 0.00 O ATOM 0 H ASP A 28 3.537 -16.664 -4.949 1.00 0.00 H new ATOM 0 HA ASP A 28 6.224 -17.191 -5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.862 -15.173 -6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.885 -14.633 -4.971 1.00 0.00 H new ATOM 401 N GLU A 29 7.210 -17.643 -3.717 1.00 0.00 N ATOM 402 CA GLU A 29 7.957 -17.766 -2.470 1.00 0.00 C ATOM 403 C GLU A 29 9.041 -16.695 -2.380 1.00 0.00 C ATOM 404 O GLU A 29 9.475 -16.328 -1.288 1.00 0.00 O ATOM 405 CB GLU A 29 8.590 -19.155 -2.370 1.00 0.00 C ATOM 406 CG GLU A 29 9.217 -19.331 -0.985 1.00 0.00 C ATOM 407 CD GLU A 29 9.920 -20.681 -0.894 1.00 0.00 C ATOM 408 OE1 GLU A 29 9.909 -21.400 -1.880 1.00 0.00 O ATOM 409 OE2 GLU A 29 10.456 -20.978 0.160 1.00 0.00 O ATOM 0 H GLU A 29 7.429 -18.354 -4.414 1.00 0.00 H new ATOM 0 HA GLU A 29 7.263 -17.627 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.836 -19.923 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.349 -19.277 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.929 -18.528 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.446 -19.261 -0.217 1.00 0.00 H new ATOM 416 N ARG A 30 9.483 -16.206 -3.535 1.00 0.00 N ATOM 417 CA ARG A 30 10.529 -15.187 -3.574 1.00 0.00 C ATOM 418 C ARG A 30 10.167 -14.005 -2.680 1.00 0.00 C ATOM 419 O ARG A 30 11.024 -13.454 -1.989 1.00 0.00 O ATOM 420 CB ARG A 30 10.723 -14.697 -5.011 1.00 0.00 C ATOM 421 CG ARG A 30 11.208 -15.855 -5.886 1.00 0.00 C ATOM 422 CD ARG A 30 11.506 -15.341 -7.296 1.00 0.00 C ATOM 423 NE ARG A 30 10.319 -14.710 -7.864 1.00 0.00 N ATOM 424 CZ ARG A 30 10.405 -13.914 -8.925 1.00 0.00 C ATOM 425 NH1 ARG A 30 11.565 -13.685 -9.476 1.00 0.00 N ATOM 426 NH2 ARG A 30 9.328 -13.363 -9.415 1.00 0.00 N ATOM 0 H ARG A 30 9.137 -16.495 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 30 11.455 -15.632 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.785 -14.301 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.447 -13.882 -5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 30 12.104 -16.301 -5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.450 -16.637 -5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.327 -14.625 -7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.827 -16.166 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 30 9.408 -14.883 -7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.406 -14.117 -9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.631 -13.074 -10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.421 -13.543 -8.984 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.393 -12.752 -10.229 1.00 0.00 H new ATOM 440 N VAL A 31 8.895 -13.623 -2.690 1.00 0.00 N ATOM 441 CA VAL A 31 8.438 -12.509 -1.868 1.00 0.00 C ATOM 442 C VAL A 31 8.253 -12.951 -0.418 1.00 0.00 C ATOM 443 O VAL A 31 8.436 -12.163 0.510 1.00 0.00 O ATOM 444 CB VAL A 31 7.123 -11.954 -2.418 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.384 -11.256 -3.755 1.00 0.00 C ATOM 446 CG2 VAL A 31 6.135 -13.102 -2.635 1.00 0.00 C ATOM 0 H VAL A 31 8.168 -14.064 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 31 9.195 -11.725 -1.898 1.00 0.00 H new ATOM 0 HB VAL A 31 6.706 -11.241 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.447 -10.860 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.090 -10.439 -3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.801 -11.972 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.198 -12.706 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.554 -13.813 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.948 -13.605 -1.686 1.00 0.00 H new ATOM 456 N ASN A 32 7.891 -14.217 -0.232 1.00 0.00 N ATOM 457 CA ASN A 32 7.684 -14.756 1.109 1.00 0.00 C ATOM 458 C ASN A 32 8.938 -14.579 1.960 1.00 0.00 C ATOM 459 O ASN A 32 8.857 -14.438 3.179 1.00 0.00 O ATOM 460 CB ASN A 32 7.318 -16.239 1.030 1.00 0.00 C ATOM 461 CG ASN A 32 5.971 -16.406 0.333 1.00 0.00 C ATOM 462 OD1 ASN A 32 5.260 -15.425 0.116 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.574 -17.595 -0.026 1.00 0.00 N ATOM 0 H ASN A 32 7.736 -14.885 -0.987 1.00 0.00 H new ATOM 0 HA ASN A 32 6.865 -14.208 1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.089 -16.784 0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.274 -16.665 2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.672 -17.714 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.165 -18.406 0.155 1.00 0.00 H new ATOM 470 N ARG A 33 10.098 -14.592 1.311 1.00 0.00 N ATOM 471 CA ARG A 33 11.360 -14.435 2.023 1.00 0.00 C ATOM 472 C ARG A 33 11.336 -13.176 2.886 1.00 0.00 C ATOM 473 O ARG A 33 11.879 -13.158 3.990 1.00 0.00 O ATOM 474 CB ARG A 33 12.515 -14.353 1.023 1.00 0.00 C ATOM 475 CG ARG A 33 12.612 -15.668 0.246 1.00 0.00 C ATOM 476 CD ARG A 33 13.831 -15.628 -0.675 1.00 0.00 C ATOM 477 NE ARG A 33 13.808 -16.760 -1.595 1.00 0.00 N ATOM 478 CZ ARG A 33 14.496 -16.735 -2.730 1.00 0.00 C ATOM 479 NH1 ARG A 33 15.215 -15.690 -3.034 1.00 0.00 N ATOM 480 NH2 ARG A 33 14.454 -17.757 -3.541 1.00 0.00 N ATOM 0 H ARG A 33 10.190 -14.709 0.302 1.00 0.00 H new ATOM 0 HA ARG A 33 11.502 -15.300 2.671 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.356 -13.523 0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.451 -14.158 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.693 -16.506 0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.706 -15.824 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.840 -14.694 -1.237 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.745 -15.652 -0.081 1.00 0.00 H new ATOM 0 HE ARG A 33 13.254 -17.584 -1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.249 -14.892 -2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.744 -15.671 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.893 -18.575 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.983 -17.738 -4.413 1.00 0.00 H new ATOM 494 N PHE A 34 10.698 -12.127 2.377 1.00 0.00 N ATOM 495 CA PHE A 34 10.604 -10.869 3.113 1.00 0.00 C ATOM 496 C PHE A 34 9.540 -10.957 4.205 1.00 0.00 C ATOM 497 O PHE A 34 9.526 -10.153 5.136 1.00 0.00 O ATOM 498 CB PHE A 34 10.268 -9.728 2.151 1.00 0.00 C ATOM 499 CG PHE A 34 11.410 -9.544 1.178 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.484 -8.709 1.508 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.395 -10.214 -0.050 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.544 -8.543 0.606 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.454 -10.049 -0.951 1.00 0.00 C ATOM 504 CZ PHE A 34 13.528 -9.214 -0.623 1.00 0.00 C ATOM 0 H PHE A 34 10.241 -12.121 1.465 1.00 0.00 H new ATOM 0 HA PHE A 34 11.567 -10.673 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.347 -9.951 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.097 -8.806 2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.496 -8.193 2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.566 -10.859 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.373 -7.898 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.442 -10.566 -1.899 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.345 -9.087 -1.318 1.00 0.00 H new ATOM 514 N PHE A 35 8.648 -11.936 4.082 1.00 0.00 N ATOM 515 CA PHE A 35 7.581 -12.114 5.064 1.00 0.00 C ATOM 516 C PHE A 35 7.950 -13.187 6.086 1.00 0.00 C ATOM 517 O PHE A 35 7.099 -13.653 6.843 1.00 0.00 O ATOM 518 CB PHE A 35 6.275 -12.495 4.363 1.00 0.00 C ATOM 519 CG PHE A 35 5.746 -11.302 3.604 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.056 -10.294 4.289 1.00 0.00 C ATOM 521 CD2 PHE A 35 5.942 -11.200 2.222 1.00 0.00 C ATOM 522 CE1 PHE A 35 4.564 -9.184 3.592 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.450 -10.090 1.525 1.00 0.00 C ATOM 524 CZ PHE A 35 4.762 -9.081 2.210 1.00 0.00 C ATOM 0 H PHE A 35 8.641 -12.613 3.319 1.00 0.00 H new ATOM 0 HA PHE A 35 7.446 -11.169 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.445 -13.328 3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.540 -12.829 5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.903 -10.373 5.355 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.473 -11.978 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.032 -8.407 4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.601 -10.012 0.458 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.384 -8.224 1.672 1.00 0.00 H new ATOM 534 N VAL A 36 9.221 -13.576 6.101 1.00 0.00 N ATOM 535 CA VAL A 36 9.685 -14.596 7.036 1.00 0.00 C ATOM 536 C VAL A 36 9.545 -14.112 8.476 1.00 0.00 C ATOM 537 O VAL A 36 9.238 -14.895 9.375 1.00 0.00 O ATOM 538 CB VAL A 36 11.148 -14.935 6.747 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.275 -15.439 5.309 1.00 0.00 C ATOM 540 CG2 VAL A 36 12.008 -13.681 6.924 1.00 0.00 C ATOM 0 H VAL A 36 9.942 -13.205 5.483 1.00 0.00 H new ATOM 0 HA VAL A 36 9.071 -15.488 6.908 1.00 0.00 H new ATOM 0 HB VAL A 36 11.487 -15.707 7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.317 -15.682 5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.662 -16.331 5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.937 -14.664 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.051 -13.923 6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.671 -12.908 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.915 -13.318 7.947 1.00 0.00 H new ATOM 550 N ASN A 37 9.770 -12.820 8.688 1.00 0.00 N ATOM 551 CA ASN A 37 9.662 -12.247 10.025 1.00 0.00 C ATOM 552 C ASN A 37 8.236 -11.777 10.298 1.00 0.00 C ATOM 553 O ASN A 37 7.957 -11.184 11.340 1.00 0.00 O ATOM 554 CB ASN A 37 10.629 -11.070 10.166 1.00 0.00 C ATOM 555 CG ASN A 37 12.065 -11.556 10.005 1.00 0.00 C ATOM 556 OD1 ASN A 37 12.340 -12.745 10.163 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.003 -10.703 9.694 1.00 0.00 N ATOM 0 H ASN A 37 10.026 -12.155 7.959 1.00 0.00 H new ATOM 0 HA ASN A 37 9.919 -13.018 10.752 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.406 -10.313 9.415 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.502 -10.599 11.141 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.965 -11.022 9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.774 -9.718 9.563 1.00 0.00 H new ATOM 564 N THR A 38 7.339 -12.044 9.353 1.00 0.00 N ATOM 565 CA THR A 38 5.945 -11.641 9.502 1.00 0.00 C ATOM 566 C THR A 38 5.019 -12.844 9.348 1.00 0.00 C ATOM 567 O THR A 38 5.259 -13.721 8.519 1.00 0.00 O ATOM 568 CB THR A 38 5.593 -10.587 8.450 1.00 0.00 C ATOM 569 OG1 THR A 38 6.509 -9.505 8.540 1.00 0.00 O ATOM 570 CG2 THR A 38 4.172 -10.075 8.691 1.00 0.00 C ATOM 0 H THR A 38 7.550 -12.533 8.483 1.00 0.00 H new ATOM 0 HA THR A 38 5.812 -11.220 10.499 1.00 0.00 H new ATOM 0 HB THR A 38 5.652 -11.033 7.457 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.285 -8.830 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.924 -9.324 7.941 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.469 -10.905 8.620 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.109 -9.630 9.684 1.00 0.00 H new ATOM 578 N ASP A 39 3.958 -12.880 10.152 1.00 0.00 N ATOM 579 CA ASP A 39 3.004 -13.982 10.092 1.00 0.00 C ATOM 580 C ASP A 39 2.012 -13.769 8.953 1.00 0.00 C ATOM 581 O ASP A 39 1.874 -12.661 8.436 1.00 0.00 O ATOM 582 CB ASP A 39 2.243 -14.091 11.415 1.00 0.00 C ATOM 583 CG ASP A 39 1.386 -12.847 11.626 1.00 0.00 C ATOM 584 OD1 ASP A 39 1.274 -12.065 10.697 1.00 0.00 O ATOM 585 OD2 ASP A 39 0.858 -12.694 12.715 1.00 0.00 O ATOM 0 H ASP A 39 3.740 -12.165 10.846 1.00 0.00 H new ATOM 0 HA ASP A 39 3.557 -14.904 9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.613 -14.980 11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.946 -14.203 12.241 1.00 0.00 H new ATOM 590 N MET A 40 1.321 -14.838 8.569 1.00 0.00 N ATOM 591 CA MET A 40 0.341 -14.755 7.491 1.00 0.00 C ATOM 592 C MET A 40 -0.788 -13.793 7.853 1.00 0.00 C ATOM 593 O MET A 40 -1.326 -13.103 6.987 1.00 0.00 O ATOM 594 CB MET A 40 -0.243 -16.140 7.205 1.00 0.00 C ATOM 595 CG MET A 40 0.849 -17.049 6.639 1.00 0.00 C ATOM 596 SD MET A 40 0.120 -18.631 6.151 1.00 0.00 S ATOM 597 CE MET A 40 1.659 -19.455 5.681 1.00 0.00 C ATOM 0 H MET A 40 1.420 -15.764 8.984 1.00 0.00 H new ATOM 0 HA MET A 40 0.848 -14.381 6.602 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.651 -16.570 8.120 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.067 -16.059 6.496 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.324 -16.574 5.780 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.627 -17.209 7.385 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.441 -20.467 5.341 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.139 -18.898 4.877 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.326 -19.498 6.542 1.00 0.00 H new ATOM 607 N ALA A 41 -1.149 -13.760 9.132 1.00 0.00 N ATOM 608 CA ALA A 41 -2.224 -12.884 9.587 1.00 0.00 C ATOM 609 C ALA A 41 -1.902 -11.428 9.271 1.00 0.00 C ATOM 610 O ALA A 41 -2.648 -10.757 8.557 1.00 0.00 O ATOM 611 CB ALA A 41 -2.424 -13.046 11.095 1.00 0.00 C ATOM 0 H ALA A 41 -0.718 -14.323 9.865 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.139 -13.163 9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.228 -12.389 11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.685 -14.081 11.318 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.502 -12.784 11.615 1.00 0.00 H new ATOM 617 N LYS A 42 -0.783 -10.946 9.801 1.00 0.00 N ATOM 618 CA LYS A 42 -0.366 -9.569 9.564 1.00 0.00 C ATOM 619 C LYS A 42 -0.096 -9.342 8.080 1.00 0.00 C ATOM 620 O LYS A 42 -0.333 -8.254 7.556 1.00 0.00 O ATOM 621 CB LYS A 42 0.899 -9.256 10.370 1.00 0.00 C ATOM 622 CG LYS A 42 0.646 -9.492 11.864 1.00 0.00 C ATOM 623 CD LYS A 42 -0.354 -8.460 12.397 1.00 0.00 C ATOM 624 CE LYS A 42 -0.266 -8.407 13.924 1.00 0.00 C ATOM 625 NZ LYS A 42 -1.139 -7.312 14.438 1.00 0.00 N ATOM 0 H LYS A 42 -0.152 -11.485 10.394 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.170 -8.906 9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.721 -9.885 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.199 -8.221 10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.260 -10.499 12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.583 -9.420 12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.139 -7.478 11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.365 -8.725 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.575 -9.362 14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.766 -8.239 14.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.078 -7.277 15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.825 -6.403 14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.124 -7.491 14.155 1.00 0.00 H new ATOM 639 N GLN A 43 0.406 -10.375 7.409 1.00 0.00 N ATOM 640 CA GLN A 43 0.710 -10.273 5.986 1.00 0.00 C ATOM 641 C GLN A 43 -0.523 -9.828 5.206 1.00 0.00 C ATOM 642 O GLN A 43 -0.427 -9.015 4.288 1.00 0.00 O ATOM 643 CB GLN A 43 1.192 -11.624 5.455 1.00 0.00 C ATOM 644 CG GLN A 43 1.719 -11.457 4.029 1.00 0.00 C ATOM 645 CD GLN A 43 2.132 -12.812 3.465 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.064 -13.871 4.224 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 2.523 -12.909 2.302 1.00 0.00 N flip ATOM 0 H GLN A 43 0.609 -11.284 7.824 1.00 0.00 H new ATOM 0 HA GLN A 43 1.497 -9.531 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.977 -12.020 6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.374 -12.344 5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.951 -11.010 3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.571 -10.777 4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.575 -12.080 1.711 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.795 -13.819 1.930 1.00 0.00 H new ATOM 656 N LYS A 44 -1.680 -10.360 5.583 1.00 0.00 N ATOM 657 CA LYS A 44 -2.923 -10.000 4.912 1.00 0.00 C ATOM 658 C LYS A 44 -3.175 -8.501 5.012 1.00 0.00 C ATOM 659 O LYS A 44 -3.691 -7.885 4.079 1.00 0.00 O ATOM 660 CB LYS A 44 -4.094 -10.762 5.536 1.00 0.00 C ATOM 661 CG LYS A 44 -4.003 -12.238 5.154 1.00 0.00 C ATOM 662 CD LYS A 44 -5.230 -12.979 5.686 1.00 0.00 C ATOM 663 CE LYS A 44 -5.467 -14.233 4.846 1.00 0.00 C ATOM 664 NZ LYS A 44 -5.857 -13.827 3.465 1.00 0.00 N ATOM 0 H LYS A 44 -1.783 -11.035 6.341 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.835 -10.269 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.075 -10.654 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.039 -10.344 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.944 -12.341 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.094 -12.676 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.080 -13.250 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.105 -12.331 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.564 -14.843 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.251 -14.844 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.535 -14.515 3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.296 -12.885 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.012 -13.798 2.860 1.00 0.00 H new ATOM 678 N GLN A 45 -2.808 -7.919 6.149 1.00 0.00 N ATOM 679 CA GLN A 45 -3.001 -6.489 6.358 1.00 0.00 C ATOM 680 C GLN A 45 -2.257 -5.686 5.296 1.00 0.00 C ATOM 681 O GLN A 45 -2.767 -4.688 4.789 1.00 0.00 O ATOM 682 CB GLN A 45 -2.492 -6.092 7.744 1.00 0.00 C ATOM 683 CG GLN A 45 -2.888 -4.644 8.036 1.00 0.00 C ATOM 684 CD GLN A 45 -2.222 -4.175 9.325 1.00 0.00 C ATOM 685 OE1 GLN A 45 -0.999 -4.040 9.379 1.00 0.00 O ATOM 686 NE2 GLN A 45 -2.956 -3.918 10.371 1.00 0.00 N ATOM 0 H GLN A 45 -2.379 -8.410 6.933 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.066 -6.271 6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.911 -6.755 8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.408 -6.201 7.790 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.589 -4.002 7.207 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.971 -4.565 8.126 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.969 -4.031 10.324 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.518 -3.604 11.237 1.00 0.00 H new ATOM 695 N HIS A 46 -1.048 -6.128 4.964 1.00 0.00 N ATOM 696 CA HIS A 46 -0.245 -5.437 3.962 1.00 0.00 C ATOM 697 C HIS A 46 -0.965 -5.418 2.617 1.00 0.00 C ATOM 698 O HIS A 46 -1.029 -4.383 1.953 1.00 0.00 O ATOM 699 CB HIS A 46 1.113 -6.126 3.810 1.00 0.00 C ATOM 700 CG HIS A 46 1.985 -5.320 2.885 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.198 -5.683 1.565 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.703 -4.164 3.077 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.013 -4.763 1.017 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.352 -3.815 1.896 1.00 0.00 N ATOM 0 H HIS A 46 -0.606 -6.953 5.370 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.093 -4.410 4.293 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.593 -6.226 4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.979 -7.133 3.415 1.00 0.00 H new ATOM 0 HD1 HIS A 46 1.808 -6.499 1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.756 -3.611 4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.352 -4.788 -0.008 1.00 0.00 H new ATOM 712 N GLN A 47 -1.509 -6.566 2.222 1.00 0.00 N ATOM 713 CA GLN A 47 -2.226 -6.661 0.954 1.00 0.00 C ATOM 714 C GLN A 47 -3.431 -5.729 0.937 1.00 0.00 C ATOM 715 O GLN A 47 -3.757 -5.141 -0.095 1.00 0.00 O ATOM 716 CB GLN A 47 -2.698 -8.098 0.717 1.00 0.00 C ATOM 717 CG GLN A 47 -1.516 -8.972 0.292 1.00 0.00 C ATOM 718 CD GLN A 47 -0.246 -8.531 1.010 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.368 -7.533 0.634 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.189 -9.223 2.026 1.00 0.00 N ATOM 0 H GLN A 47 -1.468 -7.435 2.755 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.539 -6.365 0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.148 -8.497 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.469 -8.114 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.727 -10.017 0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.374 -8.904 -0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.322 -10.050 2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.040 -8.937 2.511 1.00 0.00 H new ATOM 729 N LYS A 48 -4.097 -5.603 2.082 1.00 0.00 N ATOM 730 CA LYS A 48 -5.272 -4.742 2.177 1.00 0.00 C ATOM 731 C LYS A 48 -4.899 -3.298 1.858 1.00 0.00 C ATOM 732 O LYS A 48 -5.508 -2.665 0.996 1.00 0.00 O ATOM 733 CB LYS A 48 -5.859 -4.825 3.592 1.00 0.00 C ATOM 734 CG LYS A 48 -7.195 -4.071 3.657 1.00 0.00 C ATOM 735 CD LYS A 48 -8.318 -4.945 3.088 1.00 0.00 C ATOM 736 CE LYS A 48 -9.671 -4.299 3.396 1.00 0.00 C ATOM 737 NZ LYS A 48 -9.551 -2.816 3.294 1.00 0.00 N ATOM 0 H LYS A 48 -3.847 -6.080 2.948 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.015 -5.080 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.008 -5.868 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.158 -4.400 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.420 -3.801 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.125 -3.141 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.194 -5.060 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.272 -5.944 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.426 -4.662 2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.000 -4.580 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.500 -2.394 3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.063 -2.449 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.007 -2.569 2.443 1.00 0.00 H new ATOM 751 N ASP A 49 -3.885 -2.786 2.552 1.00 0.00 N ATOM 752 CA ASP A 49 -3.433 -1.417 2.327 1.00 0.00 C ATOM 753 C ASP A 49 -2.834 -1.274 0.932 1.00 0.00 C ATOM 754 O ASP A 49 -3.037 -0.263 0.259 1.00 0.00 O ATOM 755 CB ASP A 49 -2.391 -1.031 3.378 1.00 0.00 C ATOM 756 CG ASP A 49 -3.043 -0.973 4.756 1.00 0.00 C ATOM 757 OD1 ASP A 49 -4.261 -1.003 4.813 1.00 0.00 O ATOM 758 OD2 ASP A 49 -2.315 -0.896 5.732 1.00 0.00 O ATOM 0 H ASP A 49 -3.366 -3.294 3.268 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.292 -0.751 2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.578 -1.757 3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.954 -0.063 3.132 1.00 0.00 H new ATOM 763 N PHE A 50 -2.093 -2.292 0.504 1.00 0.00 N ATOM 764 CA PHE A 50 -1.467 -2.268 -0.813 1.00 0.00 C ATOM 765 C PHE A 50 -2.520 -2.131 -1.907 1.00 0.00 C ATOM 766 O PHE A 50 -2.386 -1.309 -2.813 1.00 0.00 O ATOM 767 CB PHE A 50 -0.672 -3.555 -1.033 1.00 0.00 C ATOM 768 CG PHE A 50 0.070 -3.471 -2.344 1.00 0.00 C ATOM 769 CD1 PHE A 50 -0.575 -3.824 -3.536 1.00 0.00 C ATOM 770 CD2 PHE A 50 1.400 -3.036 -2.370 1.00 0.00 C ATOM 771 CE1 PHE A 50 0.112 -3.743 -4.752 1.00 0.00 C ATOM 772 CE2 PHE A 50 2.087 -2.956 -3.586 1.00 0.00 C ATOM 773 CZ PHE A 50 1.442 -3.310 -4.778 1.00 0.00 C ATOM 0 H PHE A 50 -1.913 -3.137 1.045 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.797 -1.410 -0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.031 -3.705 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.344 -4.413 -1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.602 -4.158 -3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.896 -2.762 -1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.385 -4.015 -5.672 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.114 -2.622 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.972 -3.249 -5.717 1.00 0.00 H new ATOM 783 N MET A 51 -3.567 -2.945 -1.818 1.00 0.00 N ATOM 784 CA MET A 51 -4.637 -2.907 -2.808 1.00 0.00 C ATOM 785 C MET A 51 -5.328 -1.549 -2.801 1.00 0.00 C ATOM 786 O MET A 51 -5.657 -1.003 -3.855 1.00 0.00 O ATOM 787 CB MET A 51 -5.659 -4.007 -2.511 1.00 0.00 C ATOM 788 CG MET A 51 -6.639 -4.126 -3.680 1.00 0.00 C ATOM 789 SD MET A 51 -5.850 -5.029 -5.037 1.00 0.00 S ATOM 790 CE MET A 51 -7.162 -4.796 -6.261 1.00 0.00 C ATOM 0 H MET A 51 -3.697 -3.634 -1.077 1.00 0.00 H new ATOM 0 HA MET A 51 -4.202 -3.072 -3.794 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.150 -4.957 -2.352 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.199 -3.777 -1.592 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.543 -4.645 -3.360 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.943 -3.135 -4.016 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.166 -5.637 -6.955 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.126 -4.739 -5.755 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.986 -3.872 -6.812 1.00 0.00 H new ATOM 800 N THR A 52 -5.546 -1.005 -1.607 1.00 0.00 N ATOM 801 CA THR A 52 -6.200 0.292 -1.475 1.00 0.00 C ATOM 802 C THR A 52 -5.365 1.385 -2.135 1.00 0.00 C ATOM 803 O THR A 52 -5.897 2.261 -2.815 1.00 0.00 O ATOM 804 CB THR A 52 -6.399 0.624 0.007 1.00 0.00 C ATOM 805 OG1 THR A 52 -7.069 -0.454 0.645 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.239 1.897 0.138 1.00 0.00 C ATOM 0 H THR A 52 -5.281 -1.439 -0.723 1.00 0.00 H new ATOM 0 HA THR A 52 -7.169 0.243 -1.972 1.00 0.00 H new ATOM 0 HB THR A 52 -5.429 0.781 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.420 -1.149 0.881 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.380 2.133 1.193 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.726 2.724 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.210 1.742 -0.332 1.00 0.00 H new ATOM 814 N TYR A 53 -4.053 1.326 -1.929 1.00 0.00 N ATOM 815 CA TYR A 53 -3.152 2.314 -2.508 1.00 0.00 C ATOM 816 C TYR A 53 -3.232 2.285 -4.030 1.00 0.00 C ATOM 817 O TYR A 53 -3.135 3.320 -4.688 1.00 0.00 O ATOM 818 CB TYR A 53 -1.716 2.041 -2.062 1.00 0.00 C ATOM 819 CG TYR A 53 -0.817 3.151 -2.553 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.676 4.324 -1.801 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.125 3.007 -3.760 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.158 5.350 -2.255 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.709 4.034 -4.216 1.00 0.00 C ATOM 824 CZ TYR A 53 0.851 5.207 -3.464 1.00 0.00 C ATOM 825 OH TYR A 53 1.674 6.219 -3.913 1.00 0.00 O ATOM 0 H TYR A 53 -3.593 0.609 -1.369 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.455 3.301 -2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.668 1.973 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.377 1.083 -2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.212 4.436 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.234 2.103 -4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.268 6.253 -1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.243 3.922 -5.148 1.00 0.00 H new ATOM 0 HH TYR A 53 2.079 5.957 -4.766 1.00 0.00 H new ATOM 835 N ALA A 54 -3.402 1.089 -4.584 1.00 0.00 N ATOM 836 CA ALA A 54 -3.489 0.932 -6.031 1.00 0.00 C ATOM 837 C ALA A 54 -4.619 1.786 -6.595 1.00 0.00 C ATOM 838 O ALA A 54 -4.544 2.263 -7.726 1.00 0.00 O ATOM 839 CB ALA A 54 -3.731 -0.536 -6.384 1.00 0.00 C ATOM 0 H ALA A 54 -3.482 0.220 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.547 1.260 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.795 -0.644 -7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.907 -1.142 -6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.664 -0.870 -5.931 1.00 0.00 H new ATOM 845 N PHE A 55 -5.663 1.981 -5.796 1.00 0.00 N ATOM 846 CA PHE A 55 -6.800 2.786 -6.228 1.00 0.00 C ATOM 847 C PHE A 55 -6.602 4.248 -5.842 1.00 0.00 C ATOM 848 O PHE A 55 -7.498 5.073 -6.022 1.00 0.00 O ATOM 849 CB PHE A 55 -8.091 2.260 -5.597 1.00 0.00 C ATOM 850 CG PHE A 55 -8.465 0.943 -6.234 1.00 0.00 C ATOM 851 CD1 PHE A 55 -9.101 0.929 -7.482 1.00 0.00 C ATOM 852 CD2 PHE A 55 -8.183 -0.261 -5.578 1.00 0.00 C ATOM 853 CE1 PHE A 55 -9.453 -0.289 -8.074 1.00 0.00 C ATOM 854 CE2 PHE A 55 -8.535 -1.480 -6.172 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.170 -1.494 -7.420 1.00 0.00 C ATOM 0 H PHE A 55 -5.746 1.597 -4.855 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.874 2.715 -7.313 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.957 2.131 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.895 2.983 -5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.320 1.858 -7.987 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.695 -0.250 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.943 -0.300 -9.036 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.317 -2.409 -5.667 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.441 -2.434 -7.878 1.00 0.00 H new ATOM 865 N GLY A 56 -5.425 4.564 -5.312 1.00 0.00 N ATOM 866 CA GLY A 56 -5.126 5.932 -4.906 1.00 0.00 C ATOM 867 C GLY A 56 -5.736 6.242 -3.543 1.00 0.00 C ATOM 868 O GLY A 56 -6.208 7.353 -3.303 1.00 0.00 O ATOM 0 H GLY A 56 -4.669 3.898 -5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.046 6.076 -4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.514 6.629 -5.649 1.00 0.00 H new ATOM 1005 N MET A 66 7.470 5.501 5.289 1.00 0.00 N ATOM 1006 CA MET A 66 7.304 4.205 4.641 1.00 0.00 C ATOM 1007 C MET A 66 8.660 3.575 4.346 1.00 0.00 C ATOM 1008 O MET A 66 8.824 2.358 4.440 1.00 0.00 O ATOM 1009 CB MET A 66 6.521 4.375 3.336 1.00 0.00 C ATOM 1010 CG MET A 66 5.102 4.848 3.652 1.00 0.00 C ATOM 1011 SD MET A 66 4.233 3.566 4.586 1.00 0.00 S ATOM 1012 CE MET A 66 3.918 4.543 6.075 1.00 0.00 C ATOM 0 HA MET A 66 6.753 3.549 5.314 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.021 5.097 2.690 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.489 3.430 2.793 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.135 5.773 4.228 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.566 5.067 2.728 1.00 0.00 H new ATOM 0 HE1 MET A 66 3.380 3.935 6.802 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.866 4.868 6.504 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.318 5.416 5.817 1.00 0.00 H new ATOM 1022 N ARG A 67 9.629 4.410 3.985 1.00 0.00 N ATOM 1023 CA ARG A 67 10.968 3.922 3.677 1.00 0.00 C ATOM 1024 C ARG A 67 11.572 3.207 4.879 1.00 0.00 C ATOM 1025 O ARG A 67 12.225 2.174 4.732 1.00 0.00 O ATOM 1026 CB ARG A 67 11.867 5.094 3.279 1.00 0.00 C ATOM 1027 CG ARG A 67 11.332 5.736 2.000 1.00 0.00 C ATOM 1028 CD ARG A 67 12.266 6.867 1.569 1.00 0.00 C ATOM 1029 NE ARG A 67 11.683 7.604 0.455 1.00 0.00 N ATOM 1030 CZ ARG A 67 12.338 8.602 -0.126 1.00 0.00 C ATOM 1031 NH1 ARG A 67 13.524 8.940 0.301 1.00 0.00 N ATOM 1032 NH2 ARG A 67 11.797 9.244 -1.124 1.00 0.00 N ATOM 0 H ARG A 67 9.514 5.420 3.899 1.00 0.00 H new ATOM 0 HA ARG A 67 10.894 3.216 2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.899 5.830 4.082 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.888 4.746 3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.258 4.990 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.327 6.124 2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.444 7.541 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.234 6.458 1.278 1.00 0.00 H new ATOM 0 HE ARG A 67 10.756 7.349 0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.948 8.437 1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.027 9.707 -0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.870 8.979 -1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.300 10.011 -1.570 1.00 0.00 H new ATOM 1046 N ALA A 68 11.351 3.760 6.067 1.00 0.00 N ATOM 1047 CA ALA A 68 11.882 3.165 7.287 1.00 0.00 C ATOM 1048 C ALA A 68 11.274 1.787 7.518 1.00 0.00 C ATOM 1049 O ALA A 68 11.948 0.870 7.989 1.00 0.00 O ATOM 1050 CB ALA A 68 11.578 4.066 8.484 1.00 0.00 C ATOM 0 H ALA A 68 10.811 4.614 6.210 1.00 0.00 H new ATOM 0 HA ALA A 68 12.961 3.060 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.978 3.613 9.391 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.039 5.042 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.499 4.186 8.584 1.00 0.00 H new ATOM 1056 N ALA A 69 9.997 1.647 7.180 1.00 0.00 N ATOM 1057 CA ALA A 69 9.310 0.375 7.351 1.00 0.00 C ATOM 1058 C ALA A 69 9.925 -0.688 6.449 1.00 0.00 C ATOM 1059 O ALA A 69 9.979 -1.865 6.807 1.00 0.00 O ATOM 1060 CB ALA A 69 7.825 0.537 7.019 1.00 0.00 C ATOM 0 H ALA A 69 9.421 2.393 6.789 1.00 0.00 H new ATOM 0 HA ALA A 69 9.416 0.059 8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.317 -0.418 7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.382 1.277 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.717 0.868 5.986 1.00 0.00 H new ATOM 1066 N HIS A 70 10.389 -0.267 5.276 1.00 0.00 N ATOM 1067 CA HIS A 70 10.998 -1.193 4.330 1.00 0.00 C ATOM 1068 C HIS A 70 12.521 -1.150 4.435 1.00 0.00 C ATOM 1069 O HIS A 70 13.212 -2.028 3.918 1.00 0.00 O ATOM 1070 CB HIS A 70 10.572 -0.837 2.904 1.00 0.00 C ATOM 1071 CG HIS A 70 9.078 -0.965 2.784 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.231 0.126 2.904 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.265 -2.048 2.562 1.00 0.00 C ATOM 1074 CE1 HIS A 70 6.971 -0.321 2.754 1.00 0.00 C ATOM 1075 NE2 HIS A 70 6.934 -1.640 2.543 1.00 0.00 N ATOM 0 H HIS A 70 10.355 0.702 4.960 1.00 0.00 H new ATOM 0 HA HIS A 70 10.660 -2.201 4.571 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.882 0.180 2.663 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.064 -1.498 2.190 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.512 1.092 3.075 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.606 -3.063 2.423 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.095 0.310 2.799 1.00 0.00 H new ATOM 1083 N GLN A 71 13.039 -0.124 5.104 1.00 0.00 N ATOM 1084 CA GLN A 71 14.482 0.017 5.264 1.00 0.00 C ATOM 1085 C GLN A 71 15.071 -1.201 5.967 1.00 0.00 C ATOM 1086 O GLN A 71 16.147 -1.674 5.606 1.00 0.00 O ATOM 1087 CB GLN A 71 14.800 1.276 6.076 1.00 0.00 C ATOM 1088 CG GLN A 71 16.313 1.495 6.113 1.00 0.00 C ATOM 1089 CD GLN A 71 16.633 2.774 6.880 1.00 0.00 C ATOM 1090 OE1 GLN A 71 15.727 3.521 7.248 1.00 0.00 O ATOM 1091 NE2 GLN A 71 17.876 3.071 7.146 1.00 0.00 N ATOM 0 H GLN A 71 12.487 0.615 5.540 1.00 0.00 H new ATOM 0 HA GLN A 71 14.927 0.100 4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.308 2.141 5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.412 1.175 7.090 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.801 0.644 6.588 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.705 1.561 5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.625 2.450 6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.098 3.924 7.660 1.00 0.00 H new ATOM 1100 N ASP A 72 14.362 -1.706 6.970 1.00 0.00 N ATOM 1101 CA ASP A 72 14.834 -2.868 7.713 1.00 0.00 C ATOM 1102 C ASP A 72 15.092 -4.039 6.772 1.00 0.00 C ATOM 1103 O ASP A 72 16.066 -4.775 6.932 1.00 0.00 O ATOM 1104 CB ASP A 72 13.798 -3.272 8.764 1.00 0.00 C ATOM 1105 CG ASP A 72 13.711 -2.201 9.846 1.00 0.00 C ATOM 1106 OD1 ASP A 72 14.595 -1.362 9.893 1.00 0.00 O ATOM 1107 OD2 ASP A 72 12.762 -2.236 10.611 1.00 0.00 O ATOM 0 H ASP A 72 13.466 -1.333 7.285 1.00 0.00 H new ATOM 0 HA ASP A 72 15.769 -2.604 8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.824 -3.406 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.072 -4.229 9.208 1.00 0.00 H new ATOM 1112 N LEU A 73 14.216 -4.204 5.789 1.00 0.00 N ATOM 1113 CA LEU A 73 14.359 -5.287 4.826 1.00 0.00 C ATOM 1114 C LEU A 73 15.645 -5.126 4.020 1.00 0.00 C ATOM 1115 O LEU A 73 16.299 -6.111 3.679 1.00 0.00 O ATOM 1116 CB LEU A 73 13.159 -5.303 3.877 1.00 0.00 C ATOM 1117 CG LEU A 73 11.871 -5.473 4.686 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.667 -5.438 3.742 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.901 -6.816 5.418 1.00 0.00 C ATOM 0 H LEU A 73 13.404 -3.605 5.638 1.00 0.00 H new ATOM 0 HA LEU A 73 14.404 -6.229 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.122 -4.376 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.260 -6.117 3.159 1.00 0.00 H new ATOM 0 HG LEU A 73 11.790 -4.664 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.749 -5.559 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.643 -4.483 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.750 -6.248 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.984 -6.937 5.994 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.983 -7.625 4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.758 -6.845 6.091 1.00 0.00 H new ATOM 1131 N VAL A 74 15.999 -3.881 3.713 1.00 0.00 N ATOM 1132 CA VAL A 74 17.207 -3.611 2.939 1.00 0.00 C ATOM 1133 C VAL A 74 18.450 -4.090 3.685 1.00 0.00 C ATOM 1134 O VAL A 74 19.287 -4.796 3.123 1.00 0.00 O ATOM 1135 CB VAL A 74 17.322 -2.110 2.666 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.642 -1.818 1.949 1.00 0.00 C ATOM 1137 CG2 VAL A 74 16.154 -1.662 1.785 1.00 0.00 C ATOM 0 H VAL A 74 15.473 -3.051 3.985 1.00 0.00 H new ATOM 0 HA VAL A 74 17.138 -4.153 1.996 1.00 0.00 H new ATOM 0 HB VAL A 74 17.296 -1.567 3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.722 -0.748 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.475 -2.137 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.671 -2.361 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.235 -0.593 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.181 -2.206 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.213 -1.867 2.296 1.00 0.00 H new ATOM 1147 N GLU A 75 18.560 -3.711 4.955 1.00 0.00 N ATOM 1148 CA GLU A 75 19.704 -4.117 5.767 1.00 0.00 C ATOM 1149 C GLU A 75 19.667 -5.614 6.049 1.00 0.00 C ATOM 1150 O GLU A 75 20.706 -6.273 6.086 1.00 0.00 O ATOM 1151 CB GLU A 75 19.717 -3.342 7.087 1.00 0.00 C ATOM 1152 CG GLU A 75 20.396 -1.984 6.883 1.00 0.00 C ATOM 1153 CD GLU A 75 19.587 -1.128 5.917 1.00 0.00 C ATOM 1154 OE1 GLU A 75 18.407 -1.388 5.771 1.00 0.00 O ATOM 1155 OE2 GLU A 75 20.163 -0.222 5.337 1.00 0.00 O ATOM 0 H GLU A 75 17.878 -3.129 5.441 1.00 0.00 H new ATOM 0 HA GLU A 75 20.612 -3.892 5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.698 -3.199 7.446 1.00 0.00 H new ATOM 0 HB3 GLU A 75 20.246 -3.913 7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 75 20.493 -1.471 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 75 21.404 -2.129 6.495 1.00 0.00 H new ATOM 1162 N ASN A 76 18.466 -6.148 6.250 1.00 0.00 N ATOM 1163 CA ASN A 76 18.317 -7.571 6.533 1.00 0.00 C ATOM 1164 C ASN A 76 18.423 -8.388 5.250 1.00 0.00 C ATOM 1165 O ASN A 76 19.314 -9.224 5.106 1.00 0.00 O ATOM 1166 CB ASN A 76 16.959 -7.831 7.193 1.00 0.00 C ATOM 1167 CG ASN A 76 16.853 -7.048 8.496 1.00 0.00 C ATOM 1168 OD1 ASN A 76 17.851 -6.859 9.191 1.00 0.00 O ATOM 1169 ND2 ASN A 76 15.694 -6.579 8.872 1.00 0.00 N ATOM 0 H ASN A 76 17.591 -5.624 6.223 1.00 0.00 H new ATOM 0 HA ASN A 76 19.116 -7.873 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.155 -7.539 6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.839 -8.897 7.389 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.614 -6.055 9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.868 -6.737 8.294 1.00 0.00 H new ATOM 1176 N ALA A 77 17.509 -8.137 4.319 1.00 0.00 N ATOM 1177 CA ALA A 77 17.505 -8.851 3.047 1.00 0.00 C ATOM 1178 C ALA A 77 17.868 -7.913 1.899 1.00 0.00 C ATOM 1179 O ALA A 77 17.785 -6.693 2.030 1.00 0.00 O ATOM 1180 CB ALA A 77 16.125 -9.459 2.795 1.00 0.00 C ATOM 0 H ALA A 77 16.764 -7.448 4.420 1.00 0.00 H new ATOM 0 HA ALA A 77 18.250 -9.645 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.130 -9.990 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.882 -10.155 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.378 -8.666 2.764 1.00 0.00 H new ATOM 1186 N GLY A 78 18.261 -8.492 0.768 1.00 0.00 N ATOM 1187 CA GLY A 78 18.620 -7.694 -0.399 1.00 0.00 C ATOM 1188 C GLY A 78 17.400 -7.454 -1.283 1.00 0.00 C ATOM 1189 O GLY A 78 16.839 -8.393 -1.849 1.00 0.00 O ATOM 0 H GLY A 78 18.338 -9.500 0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.037 -6.739 -0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.395 -8.205 -0.971 1.00 0.00 H new ATOM 1193 N LEU A 79 16.992 -6.194 -1.398 1.00 0.00 N ATOM 1194 CA LEU A 79 15.833 -5.850 -2.216 1.00 0.00 C ATOM 1195 C LEU A 79 16.274 -5.348 -3.588 1.00 0.00 C ATOM 1196 O LEU A 79 17.153 -4.493 -3.695 1.00 0.00 O ATOM 1197 CB LEU A 79 14.998 -4.773 -1.519 1.00 0.00 C ATOM 1198 CG LEU A 79 13.708 -4.533 -2.307 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.826 -5.784 -2.246 1.00 0.00 C ATOM 1200 CD2 LEU A 79 12.951 -3.351 -1.697 1.00 0.00 C ATOM 0 H LEU A 79 17.441 -5.401 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 79 15.228 -6.747 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.762 -5.084 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 79 15.569 -3.847 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 79 13.956 -4.314 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.908 -5.610 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 79 13.362 -6.629 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.579 -6.005 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.032 -3.179 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.706 -3.573 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.575 -2.458 -1.740 1.00 0.00 H new ATOM 1212 N THR A 80 15.658 -5.890 -4.633 1.00 0.00 N ATOM 1213 CA THR A 80 15.991 -5.495 -5.997 1.00 0.00 C ATOM 1214 C THR A 80 14.752 -4.985 -6.730 1.00 0.00 C ATOM 1215 O THR A 80 13.622 -5.247 -6.317 1.00 0.00 O ATOM 1216 CB THR A 80 16.580 -6.687 -6.752 1.00 0.00 C ATOM 1217 OG1 THR A 80 15.708 -7.800 -6.625 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.952 -7.039 -6.175 1.00 0.00 C ATOM 0 H THR A 80 14.929 -6.600 -4.563 1.00 0.00 H new ATOM 0 HA THR A 80 16.725 -4.691 -5.954 1.00 0.00 H new ATOM 0 HB THR A 80 16.692 -6.430 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.945 -7.555 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.367 -7.889 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.620 -6.183 -6.276 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.848 -7.296 -5.121 1.00 0.00 H new ATOM 1226 N ASP A 81 14.977 -4.254 -7.817 1.00 0.00 N ATOM 1227 CA ASP A 81 13.876 -3.705 -8.604 1.00 0.00 C ATOM 1228 C ASP A 81 12.970 -4.818 -9.128 1.00 0.00 C ATOM 1229 O ASP A 81 11.752 -4.658 -9.195 1.00 0.00 O ATOM 1230 CB ASP A 81 14.427 -2.900 -9.784 1.00 0.00 C ATOM 1231 CG ASP A 81 15.162 -1.665 -9.273 1.00 0.00 C ATOM 1232 OD1 ASP A 81 15.032 -1.365 -8.098 1.00 0.00 O ATOM 1233 OD2 ASP A 81 15.845 -1.037 -10.067 1.00 0.00 O ATOM 0 H ASP A 81 15.906 -4.028 -8.172 1.00 0.00 H new ATOM 0 HA ASP A 81 13.289 -3.053 -7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 81 15.104 -3.519 -10.373 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.612 -2.602 -10.444 1.00 0.00 H new ATOM 1238 N VAL A 82 13.573 -5.941 -9.505 1.00 0.00 N ATOM 1239 CA VAL A 82 12.806 -7.066 -10.030 1.00 0.00 C ATOM 1240 C VAL A 82 11.730 -7.493 -9.035 1.00 0.00 C ATOM 1241 O VAL A 82 10.626 -7.870 -9.428 1.00 0.00 O ATOM 1242 CB VAL A 82 13.736 -8.248 -10.318 1.00 0.00 C ATOM 1243 CG1 VAL A 82 13.993 -9.023 -9.025 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.086 -9.175 -11.347 1.00 0.00 C ATOM 0 H VAL A 82 14.580 -6.096 -9.458 1.00 0.00 H new ATOM 0 HA VAL A 82 12.325 -6.750 -10.956 1.00 0.00 H new ATOM 0 HB VAL A 82 14.681 -7.875 -10.713 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.655 -9.864 -9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.460 -8.364 -8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.048 -9.394 -8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 82 13.750 -10.015 -11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.139 -9.547 -10.955 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.905 -8.624 -12.270 1.00 0.00 H new ATOM 1254 N HIS A 83 12.054 -7.429 -7.746 1.00 0.00 N ATOM 1255 CA HIS A 83 11.099 -7.813 -6.712 1.00 0.00 C ATOM 1256 C HIS A 83 9.820 -6.991 -6.827 1.00 0.00 C ATOM 1257 O HIS A 83 8.716 -7.527 -6.741 1.00 0.00 O ATOM 1258 CB HIS A 83 11.713 -7.613 -5.325 1.00 0.00 C ATOM 1259 CG HIS A 83 12.827 -8.602 -5.117 1.00 0.00 C ATOM 1260 ND1 HIS A 83 14.135 -8.204 -4.887 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.844 -9.974 -5.099 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.877 -9.317 -4.740 1.00 0.00 C ATOM 1263 NE2 HIS A 83 14.139 -10.424 -4.860 1.00 0.00 N ATOM 0 H HIS A 83 12.960 -7.118 -7.396 1.00 0.00 H new ATOM 0 HA HIS A 83 10.854 -8.866 -6.850 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.094 -6.596 -5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.951 -7.742 -4.557 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.983 -10.609 -5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.940 -9.315 -4.548 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.456 -11.391 -4.791 1.00 0.00 H new ATOM 1271 N PHE A 84 9.975 -5.686 -7.025 1.00 0.00 N ATOM 1272 CA PHE A 84 8.822 -4.803 -7.152 1.00 0.00 C ATOM 1273 C PHE A 84 7.977 -5.202 -8.357 1.00 0.00 C ATOM 1274 O PHE A 84 6.755 -5.315 -8.264 1.00 0.00 O ATOM 1275 CB PHE A 84 9.286 -3.355 -7.307 1.00 0.00 C ATOM 1276 CG PHE A 84 8.085 -2.440 -7.324 1.00 0.00 C ATOM 1277 CD1 PHE A 84 7.496 -2.036 -6.121 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.563 -1.996 -8.544 1.00 0.00 C ATOM 1279 CE1 PHE A 84 6.383 -1.187 -6.137 1.00 0.00 C ATOM 1280 CE2 PHE A 84 6.450 -1.147 -8.561 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.859 -0.743 -7.358 1.00 0.00 C ATOM 0 H PHE A 84 10.879 -5.220 -7.100 1.00 0.00 H new ATOM 0 HA PHE A 84 8.216 -4.893 -6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.950 -3.085 -6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.856 -3.241 -8.229 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.900 -2.379 -5.180 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.019 -2.308 -9.472 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.929 -0.874 -5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.047 -0.804 -9.502 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.999 -0.089 -7.371 1.00 0.00 H new ATOM 1291 N ASP A 85 8.637 -5.418 -9.490 1.00 0.00 N ATOM 1292 CA ASP A 85 7.936 -5.811 -10.706 1.00 0.00 C ATOM 1293 C ASP A 85 7.272 -7.174 -10.527 1.00 0.00 C ATOM 1294 O ASP A 85 6.211 -7.437 -11.094 1.00 0.00 O ATOM 1295 CB ASP A 85 8.913 -5.862 -11.883 1.00 0.00 C ATOM 1296 CG ASP A 85 8.143 -6.035 -13.188 1.00 0.00 C ATOM 1297 OD1 ASP A 85 6.924 -5.977 -13.146 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.781 -6.223 -14.210 1.00 0.00 O ATOM 0 H ASP A 85 9.648 -5.328 -9.591 1.00 0.00 H new ATOM 0 HA ASP A 85 7.164 -5.070 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.503 -4.946 -11.917 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.613 -6.687 -11.751 1.00 0.00 H new ATOM 1303 N ALA A 86 7.912 -8.041 -9.746 1.00 0.00 N ATOM 1304 CA ALA A 86 7.383 -9.381 -9.509 1.00 0.00 C ATOM 1305 C ALA A 86 6.013 -9.322 -8.836 1.00 0.00 C ATOM 1306 O ALA A 86 5.016 -9.768 -9.403 1.00 0.00 O ATOM 1307 CB ALA A 86 8.348 -10.171 -8.623 1.00 0.00 C ATOM 0 H ALA A 86 8.792 -7.841 -9.270 1.00 0.00 H new ATOM 0 HA ALA A 86 7.275 -9.876 -10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.948 -11.170 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.316 -10.249 -9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.469 -9.658 -7.669 1.00 0.00 H new ATOM 1313 N ILE A 87 5.970 -8.773 -7.626 1.00 0.00 N ATOM 1314 CA ILE A 87 4.712 -8.669 -6.894 1.00 0.00 C ATOM 1315 C ILE A 87 3.721 -7.796 -7.658 1.00 0.00 C ATOM 1316 O ILE A 87 2.509 -8.001 -7.579 1.00 0.00 O ATOM 1317 CB ILE A 87 4.961 -8.076 -5.506 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.726 -8.285 -4.625 1.00 0.00 C ATOM 1319 CG2 ILE A 87 5.246 -6.580 -5.631 1.00 0.00 C ATOM 1320 CD1 ILE A 87 4.085 -7.990 -3.168 1.00 0.00 C ATOM 0 H ILE A 87 6.782 -8.397 -7.136 1.00 0.00 H new ATOM 0 HA ILE A 87 4.290 -9.668 -6.787 1.00 0.00 H new ATOM 0 HB ILE A 87 5.818 -8.574 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.918 -7.630 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.366 -9.309 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.423 -6.159 -4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.128 -6.428 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.390 -6.084 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.207 -8.138 -2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.880 -8.663 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.425 -6.958 -3.079 1.00 0.00 H new ATOM 1332 N ALA A 88 4.245 -6.825 -8.399 1.00 0.00 N ATOM 1333 CA ALA A 88 3.395 -5.931 -9.177 1.00 0.00 C ATOM 1334 C ALA A 88 2.687 -6.697 -10.289 1.00 0.00 C ATOM 1335 O ALA A 88 1.514 -6.456 -10.575 1.00 0.00 O ATOM 1336 CB ALA A 88 4.234 -4.805 -9.784 1.00 0.00 C ATOM 0 H ALA A 88 5.245 -6.638 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 88 2.645 -5.505 -8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.590 -4.143 -10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.714 -4.238 -8.986 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.997 -5.231 -10.436 1.00 0.00 H new ATOM 1342 N GLU A 89 3.408 -7.622 -10.917 1.00 0.00 N ATOM 1343 CA GLU A 89 2.837 -8.417 -11.998 1.00 0.00 C ATOM 1344 C GLU A 89 1.665 -9.250 -11.491 1.00 0.00 C ATOM 1345 O GLU A 89 0.667 -9.425 -12.191 1.00 0.00 O ATOM 1346 CB GLU A 89 3.905 -9.342 -12.586 1.00 0.00 C ATOM 1347 CG GLU A 89 3.334 -10.069 -13.805 1.00 0.00 C ATOM 1348 CD GLU A 89 4.355 -11.067 -14.341 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.416 -11.175 -13.749 1.00 0.00 O ATOM 1350 OE2 GLU A 89 4.060 -11.710 -15.335 1.00 0.00 O ATOM 0 H GLU A 89 4.381 -7.838 -10.698 1.00 0.00 H new ATOM 0 HA GLU A 89 2.477 -7.738 -12.771 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.784 -8.765 -12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.228 -10.064 -11.837 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.415 -10.587 -13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.075 -9.348 -14.581 1.00 0.00 H new ATOM 1357 N ASN A 90 1.792 -9.763 -10.271 1.00 0.00 N ATOM 1358 CA ASN A 90 0.734 -10.576 -9.684 1.00 0.00 C ATOM 1359 C ASN A 90 -0.569 -9.789 -9.607 1.00 0.00 C ATOM 1360 O ASN A 90 -1.649 -10.338 -9.818 1.00 0.00 O ATOM 1361 CB ASN A 90 1.141 -11.027 -8.280 1.00 0.00 C ATOM 1362 CG ASN A 90 2.356 -11.946 -8.359 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.660 -12.484 -9.425 1.00 0.00 O ATOM 1364 ND2 ASN A 90 3.072 -12.157 -7.290 1.00 0.00 N ATOM 0 H ASN A 90 2.609 -9.632 -9.675 1.00 0.00 H new ATOM 0 HA ASN A 90 0.581 -11.449 -10.318 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.371 -10.159 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.311 -11.548 -7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.887 -12.769 -7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.817 -11.710 -6.409 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.459 -8.499 -9.303 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.638 -7.649 -9.201 1.00 0.00 C ATOM 1373 C LEU A 91 -2.384 -7.608 -10.531 1.00 0.00 C ATOM 1374 O LEU A 91 -3.614 -7.631 -10.564 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.226 -6.230 -8.798 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.476 -5.380 -8.559 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.229 -5.902 -7.332 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.061 -3.928 -8.316 1.00 0.00 C ATOM 0 H LEU A 91 0.426 -8.024 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.299 -8.064 -8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.617 -6.260 -7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.614 -5.782 -9.581 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.124 -5.438 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.118 -5.294 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.524 -6.938 -7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.582 -5.846 -6.457 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.949 -3.319 -8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.412 -3.876 -7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.525 -3.552 -9.188 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.631 -7.548 -11.624 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.234 -7.506 -12.951 1.00 0.00 C ATOM 1392 C VAL A 92 -2.985 -8.801 -13.243 1.00 0.00 C ATOM 1393 O VAL A 92 -4.095 -8.781 -13.774 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.151 -7.293 -14.010 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.762 -7.438 -15.405 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.561 -5.889 -13.857 1.00 0.00 C ATOM 0 H VAL A 92 -0.611 -7.527 -11.618 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.941 -6.677 -12.980 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.365 -8.037 -13.880 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.989 -7.286 -16.158 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.185 -8.437 -15.515 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.548 -6.695 -15.537 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.211 -5.735 -14.611 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.349 -5.147 -13.987 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.125 -5.784 -12.864 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.370 -9.925 -12.892 1.00 0.00 N ATOM 1407 CA LEU A 93 -2.989 -11.226 -13.120 1.00 0.00 C ATOM 1408 C LEU A 93 -4.284 -11.354 -12.324 1.00 0.00 C ATOM 1409 O LEU A 93 -5.251 -11.958 -12.787 1.00 0.00 O ATOM 1410 CB LEU A 93 -2.024 -12.342 -12.710 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.720 -12.209 -13.501 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.234 -13.337 -13.105 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -1.019 -12.302 -14.999 1.00 0.00 C ATOM 0 H LEU A 93 -1.451 -9.962 -12.452 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.220 -11.315 -14.182 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.820 -12.286 -11.641 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.477 -13.316 -12.897 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.259 -11.246 -13.280 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.163 -13.243 -13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.449 -13.274 -12.038 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.228 -14.299 -13.326 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.090 -12.207 -15.562 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.480 -13.265 -15.219 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.700 -11.500 -15.285 1.00 0.00 H new ATOM 1425 N THR A 94 -4.294 -10.783 -11.124 1.00 0.00 N ATOM 1426 CA THR A 94 -5.476 -10.841 -10.272 1.00 0.00 C ATOM 1427 C THR A 94 -6.675 -10.214 -10.976 1.00 0.00 C ATOM 1428 O THR A 94 -7.787 -10.738 -10.918 1.00 0.00 O ATOM 1429 CB THR A 94 -5.208 -10.103 -8.958 1.00 0.00 C ATOM 1430 OG1 THR A 94 -4.038 -10.631 -8.350 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.400 -10.282 -8.016 1.00 0.00 C ATOM 0 H THR A 94 -3.504 -10.279 -10.722 1.00 0.00 H new ATOM 0 HA THR A 94 -5.700 -11.887 -10.062 1.00 0.00 H new ATOM 0 HB THR A 94 -5.065 -9.042 -9.161 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.249 -10.344 -8.855 1.00 0.00 H new ATOM 0 HG21 THR A 94 -6.207 -9.756 -7.081 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.297 -9.875 -8.483 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.546 -11.343 -7.812 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.439 -9.088 -11.642 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.507 -8.396 -12.357 1.00 0.00 C ATOM 1441 C LEU A 95 -8.043 -9.263 -13.492 1.00 0.00 C ATOM 1442 O LEU A 95 -9.238 -9.244 -13.789 1.00 0.00 O ATOM 1443 CB LEU A 95 -6.982 -7.074 -12.923 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.424 -6.214 -11.786 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -5.940 -4.876 -12.348 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.520 -5.960 -10.748 1.00 0.00 C ATOM 0 H LEU A 95 -5.526 -8.638 -11.702 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.318 -8.195 -11.657 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.204 -7.267 -13.662 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.784 -6.542 -13.435 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.591 -6.736 -11.315 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.543 -4.264 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.158 -5.053 -13.086 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.774 -4.357 -12.820 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.121 -5.348 -9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.354 -5.440 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.867 -6.911 -10.345 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.152 -10.021 -14.127 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.550 -10.888 -15.231 1.00 0.00 C ATOM 1460 C GLN A 96 -8.592 -11.902 -14.768 1.00 0.00 C ATOM 1461 O GLN A 96 -9.527 -12.224 -15.501 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.328 -11.626 -15.782 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.320 -10.612 -16.329 1.00 0.00 C ATOM 1464 CD GLN A 96 -5.939 -9.823 -17.478 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -5.822 -8.524 -17.504 1.00 0.00 O flip ATOM 1466 NE2 GLN A 96 -6.545 -10.407 -18.377 1.00 0.00 N flip ATOM 0 H GLN A 96 -6.158 -10.052 -13.898 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.985 -10.269 -16.015 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.867 -12.225 -14.996 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.631 -12.314 -16.571 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.011 -9.931 -15.536 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.424 -11.128 -16.674 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.635 -11.423 -18.355 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.957 -9.875 -19.144 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.425 -12.401 -13.546 1.00 0.00 N ATOM 1476 CA GLU A 97 -9.358 -13.375 -12.994 1.00 0.00 C ATOM 1477 C GLU A 97 -10.740 -12.753 -12.815 1.00 0.00 C ATOM 1478 O GLU A 97 -11.760 -13.428 -12.947 1.00 0.00 O ATOM 1479 CB GLU A 97 -8.846 -13.885 -11.646 1.00 0.00 C ATOM 1480 CG GLU A 97 -7.541 -14.655 -11.856 1.00 0.00 C ATOM 1481 CD GLU A 97 -7.055 -15.234 -10.532 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.634 -14.896 -9.513 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -6.111 -16.007 -10.556 1.00 0.00 O ATOM 0 H GLU A 97 -7.657 -12.148 -12.924 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.436 -14.210 -13.691 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.682 -13.048 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.592 -14.531 -11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.695 -15.457 -12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.782 -13.993 -12.273 1.00 0.00 H new ATOM 1490 N LEU A 98 -10.762 -11.460 -12.510 1.00 0.00 N ATOM 1491 CA LEU A 98 -12.021 -10.749 -12.311 1.00 0.00 C ATOM 1492 C LEU A 98 -12.677 -10.433 -13.651 1.00 0.00 C ATOM 1493 O LEU A 98 -13.784 -9.898 -13.700 1.00 0.00 O ATOM 1494 CB LEU A 98 -11.771 -9.450 -11.542 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.096 -9.766 -10.205 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -10.837 -8.466 -9.443 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -12.012 -10.668 -9.372 1.00 0.00 C ATOM 0 H LEU A 98 -9.927 -10.885 -12.396 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.690 -11.388 -11.735 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.141 -8.783 -12.130 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.713 -8.930 -11.371 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.150 -10.275 -10.389 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.356 -8.692 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.187 -7.821 -10.034 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.783 -7.957 -9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.532 -10.894 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.958 -10.157 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.199 -11.596 -9.913 1.00 0.00 H new ATOM 1509 N ASN A 99 -11.986 -10.767 -14.738 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.514 -10.511 -16.072 1.00 0.00 C ATOM 1511 C ASN A 99 -12.722 -9.015 -16.288 1.00 0.00 C ATOM 1512 O ASN A 99 -13.789 -8.581 -16.720 1.00 0.00 O ATOM 1513 CB ASN A 99 -13.842 -11.247 -16.260 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.165 -11.368 -17.746 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -13.435 -10.842 -18.585 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.221 -12.036 -18.121 1.00 0.00 N ATOM 0 H ASN A 99 -11.068 -11.211 -14.721 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.792 -10.875 -16.803 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.785 -12.238 -15.810 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.641 -10.710 -15.748 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.444 -12.123 -19.113 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.824 -12.471 -17.423 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.691 -8.235 -15.984 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.762 -6.788 -16.145 1.00 0.00 C ATOM 1525 C VAL A 100 -11.088 -6.360 -17.443 1.00 0.00 C ATOM 1526 O VAL A 100 -10.040 -6.889 -17.814 1.00 0.00 O ATOM 1527 CB VAL A 100 -11.081 -6.096 -14.965 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.119 -4.582 -15.173 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.818 -6.448 -13.671 1.00 0.00 C ATOM 0 H VAL A 100 -10.800 -8.579 -15.626 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.812 -6.498 -16.180 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.046 -6.430 -14.897 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.634 -4.087 -14.332 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.596 -4.328 -16.095 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.155 -4.250 -15.241 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.332 -5.954 -12.830 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.853 -6.114 -13.739 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.795 -7.527 -13.521 1.00 0.00 H new ATOM 1539 N SER A 101 -11.700 -5.402 -18.133 1.00 0.00 N ATOM 1540 CA SER A 101 -11.155 -4.914 -19.394 1.00 0.00 C ATOM 1541 C SER A 101 -9.715 -4.444 -19.212 1.00 0.00 C ATOM 1542 O SER A 101 -9.377 -3.820 -18.206 1.00 0.00 O ATOM 1543 CB SER A 101 -12.007 -3.758 -19.916 1.00 0.00 C ATOM 1544 OG SER A 101 -11.581 -3.418 -21.230 1.00 0.00 O ATOM 0 H SER A 101 -12.568 -4.951 -17.842 1.00 0.00 H new ATOM 0 HA SER A 101 -11.169 -5.732 -20.114 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.060 -4.041 -19.924 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.914 -2.895 -19.256 1.00 0.00 H new ATOM 0 HG SER A 101 -12.126 -2.678 -21.569 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.874 -4.751 -20.193 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.471 -4.359 -20.135 1.00 0.00 C ATOM 1552 C GLN A 102 -7.334 -2.844 -20.020 1.00 0.00 C ATOM 1553 O GLN A 102 -6.426 -2.344 -19.357 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.741 -4.843 -21.389 1.00 0.00 C ATOM 1555 CG GLN A 102 -5.237 -4.624 -21.222 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.673 -5.629 -20.222 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -4.757 -6.837 -20.442 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -4.101 -5.201 -19.132 1.00 0.00 N ATOM 0 H GLN A 102 -9.137 -5.267 -21.033 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.026 -4.818 -19.252 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.949 -5.900 -21.558 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.103 -4.303 -22.264 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.736 -4.734 -22.184 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.045 -3.608 -20.877 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.032 -4.199 -18.952 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.722 -5.868 -18.459 1.00 0.00 H new ATOM 1567 N ASP A 103 -8.234 -2.117 -20.676 1.00 0.00 N ATOM 1568 CA ASP A 103 -8.190 -0.659 -20.643 1.00 0.00 C ATOM 1569 C ASP A 103 -8.212 -0.153 -19.204 1.00 0.00 C ATOM 1570 O ASP A 103 -7.456 0.749 -18.842 1.00 0.00 O ATOM 1571 CB ASP A 103 -9.390 -0.084 -21.400 1.00 0.00 C ATOM 1572 CG ASP A 103 -9.271 -0.402 -22.886 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -8.198 -0.807 -23.300 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -10.254 -0.233 -23.587 1.00 0.00 O ATOM 0 H ASP A 103 -8.995 -2.508 -21.231 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.265 -0.333 -21.119 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.315 -0.502 -21.003 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.440 0.995 -21.254 1.00 0.00 H new ATOM 1579 N LEU A 104 -9.077 -0.743 -18.387 1.00 0.00 N ATOM 1580 CA LEU A 104 -9.180 -0.344 -16.989 1.00 0.00 C ATOM 1581 C LEU A 104 -7.916 -0.738 -16.230 1.00 0.00 C ATOM 1582 O LEU A 104 -7.447 -0.005 -15.361 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.399 -1.006 -16.343 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.665 -0.603 -17.103 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.883 -1.256 -16.449 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.826 0.919 -17.061 1.00 0.00 C ATOM 0 H LEU A 104 -9.711 -1.492 -18.665 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.295 0.739 -16.944 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.285 -2.090 -16.354 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.478 -0.705 -15.298 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.584 -0.933 -18.139 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.784 -0.969 -16.990 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.773 -2.340 -16.476 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.961 -0.925 -15.413 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.728 1.205 -17.603 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.905 1.248 -16.025 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.959 1.389 -17.526 1.00 0.00 H new ATOM 1598 N ILE A 105 -7.370 -1.902 -16.571 1.00 0.00 N ATOM 1599 CA ILE A 105 -6.158 -2.386 -15.919 1.00 0.00 C ATOM 1600 C ILE A 105 -4.998 -1.427 -16.162 1.00 0.00 C ATOM 1601 O ILE A 105 -4.185 -1.182 -15.272 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.795 -3.774 -16.449 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.940 -4.746 -16.150 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -4.517 -4.265 -15.767 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -6.645 -6.099 -16.800 1.00 0.00 C ATOM 0 H ILE A 105 -7.744 -2.523 -17.289 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.346 -2.446 -14.847 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.632 -3.721 -17.525 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.057 -4.866 -15.073 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.880 -4.345 -16.530 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.260 -5.254 -16.146 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.703 -3.572 -15.978 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.677 -4.319 -14.690 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.460 -6.790 -16.587 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.550 -5.972 -17.878 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.714 -6.500 -16.399 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.928 -0.888 -17.376 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.859 0.042 -17.724 1.00 0.00 C ATOM 1619 C ASP A 106 -3.873 1.244 -16.786 1.00 0.00 C ATOM 1620 O ASP A 106 -2.821 1.728 -16.369 1.00 0.00 O ATOM 1621 CB ASP A 106 -4.030 0.518 -19.167 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.802 -0.643 -20.129 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -3.305 -1.665 -19.685 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -4.128 -0.493 -21.295 1.00 0.00 O ATOM 0 H ASP A 106 -5.591 -1.077 -18.128 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.905 -0.475 -17.623 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.031 0.927 -19.308 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.325 1.321 -19.380 1.00 0.00 H new ATOM 1629 N GLU A 107 -5.069 1.721 -16.458 1.00 0.00 N ATOM 1630 CA GLU A 107 -5.202 2.867 -15.566 1.00 0.00 C ATOM 1631 C GLU A 107 -4.615 2.548 -14.195 1.00 0.00 C ATOM 1632 O GLU A 107 -3.991 3.399 -13.562 1.00 0.00 O ATOM 1633 CB GLU A 107 -6.675 3.246 -15.417 1.00 0.00 C ATOM 1634 CG GLU A 107 -6.791 4.531 -14.595 1.00 0.00 C ATOM 1635 CD GLU A 107 -8.259 4.863 -14.351 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -9.100 4.094 -14.790 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -8.523 5.880 -13.731 1.00 0.00 O ATOM 0 H GLU A 107 -5.952 1.336 -16.793 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.655 3.705 -15.998 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.126 3.388 -16.399 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.222 2.439 -14.929 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.274 4.412 -13.643 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.306 5.354 -15.120 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.822 1.315 -13.741 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.308 0.894 -12.444 1.00 0.00 C ATOM 1646 C VAL A 108 -2.785 0.917 -12.438 1.00 0.00 C ATOM 1647 O VAL A 108 -2.163 1.310 -11.452 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.801 -0.517 -12.117 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.114 -1.016 -10.845 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.315 -0.485 -11.899 1.00 0.00 C ATOM 0 H VAL A 108 -5.338 0.596 -14.248 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.673 1.589 -11.688 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.564 -1.187 -12.943 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.465 -2.021 -10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.035 -1.035 -10.998 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.351 -0.348 -10.017 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.670 -1.489 -11.666 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.549 0.184 -11.071 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.806 -0.128 -12.804 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.188 0.491 -13.547 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.736 0.467 -13.655 1.00 0.00 C ATOM 1662 C VAL A 109 -0.165 1.874 -13.495 1.00 0.00 C ATOM 1663 O VAL A 109 0.859 2.068 -12.840 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.324 -0.107 -15.011 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.186 0.044 -15.194 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.698 -1.590 -15.069 1.00 0.00 C ATOM 0 H VAL A 109 -2.683 0.161 -14.376 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.339 -0.165 -12.860 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.840 0.432 -15.805 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.478 -0.366 -16.161 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.454 1.100 -15.151 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.704 -0.494 -14.400 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.405 -2.002 -16.035 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.181 -2.127 -14.274 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.775 -1.699 -14.939 1.00 0.00 H new ATOM 1676 N THR A 110 -0.832 2.852 -14.100 1.00 0.00 N ATOM 1677 CA THR A 110 -0.378 4.237 -14.020 1.00 0.00 C ATOM 1678 C THR A 110 -0.363 4.723 -12.572 1.00 0.00 C ATOM 1679 O THR A 110 0.581 5.386 -12.141 1.00 0.00 O ATOM 1680 CB THR A 110 -1.299 5.134 -14.849 1.00 0.00 C ATOM 1681 OG1 THR A 110 -1.385 4.626 -16.173 1.00 0.00 O ATOM 1682 CG2 THR A 110 -0.736 6.556 -14.883 1.00 0.00 C ATOM 0 H THR A 110 -1.682 2.714 -14.647 1.00 0.00 H new ATOM 0 HA THR A 110 0.637 4.287 -14.415 1.00 0.00 H new ATOM 0 HB THR A 110 -2.292 5.150 -14.399 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.976 5.198 -16.705 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.393 7.194 -15.474 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.670 6.946 -13.867 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.257 6.543 -15.332 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.414 4.395 -11.825 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.505 4.812 -10.427 1.00 0.00 C ATOM 1692 C ILE A 111 -0.323 4.287 -9.622 1.00 0.00 C ATOM 1693 O ILE A 111 0.362 5.047 -8.938 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.809 4.302 -9.811 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -3.997 4.956 -10.523 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.842 4.657 -8.323 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.303 4.323 -10.036 1.00 0.00 C ATOM 0 H ILE A 111 -2.207 3.848 -12.159 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.489 5.902 -10.398 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.869 3.220 -9.925 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.006 6.028 -10.326 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.901 4.831 -11.601 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.771 4.294 -7.883 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.995 4.191 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.783 5.739 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.146 4.791 -10.545 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.294 3.255 -10.255 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.400 4.472 -8.961 1.00 0.00 H new ATOM 1709 N VAL A 112 -0.088 2.983 -9.710 1.00 0.00 N ATOM 1710 CA VAL A 112 1.017 2.364 -8.987 1.00 0.00 C ATOM 1711 C VAL A 112 2.337 2.637 -9.698 1.00 0.00 C ATOM 1712 O VAL A 112 3.406 2.575 -9.092 1.00 0.00 O ATOM 1713 CB VAL A 112 0.791 0.856 -8.883 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.558 0.586 -8.215 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.793 0.247 -10.286 1.00 0.00 C ATOM 0 H VAL A 112 -0.644 2.337 -10.271 1.00 0.00 H new ATOM 0 HA VAL A 112 1.061 2.793 -7.986 1.00 0.00 H new ATOM 0 HB VAL A 112 1.587 0.409 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.719 -0.490 -8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.564 1.023 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.355 1.032 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.632 -0.829 -10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.005 0.695 -10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.753 0.440 -10.765 1.00 0.00 H new ATOM 1725 N GLY A 113 2.252 2.936 -10.989 1.00 0.00 N ATOM 1726 CA GLY A 113 3.444 3.216 -11.780 1.00 0.00 C ATOM 1727 C GLY A 113 4.155 4.462 -11.269 1.00 0.00 C ATOM 1728 O GLY A 113 5.126 4.924 -11.870 1.00 0.00 O ATOM 0 H GLY A 113 1.375 2.991 -11.508 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.121 2.363 -11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.168 3.353 -12.825 1.00 0.00 H new ATOM 1732 N SER A 114 3.666 5.006 -10.159 1.00 0.00 N ATOM 1733 CA SER A 114 4.265 6.203 -9.582 1.00 0.00 C ATOM 1734 C SER A 114 5.741 5.968 -9.280 1.00 0.00 C ATOM 1735 O SER A 114 6.101 5.015 -8.590 1.00 0.00 O ATOM 1736 CB SER A 114 3.537 6.580 -8.291 1.00 0.00 C ATOM 1737 OG SER A 114 2.161 6.797 -8.573 1.00 0.00 O ATOM 0 H SER A 114 2.864 4.641 -9.645 1.00 0.00 H new ATOM 0 HA SER A 114 4.175 7.016 -10.303 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.648 5.786 -7.553 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.978 7.479 -7.861 1.00 0.00 H new ATOM 0 HG SER A 114 1.703 5.934 -8.650 1.00 0.00 H new ATOM 1743 N VAL A 115 6.591 6.845 -9.803 1.00 0.00 N ATOM 1744 CA VAL A 115 8.027 6.727 -9.583 1.00 0.00 C ATOM 1745 C VAL A 115 8.378 7.021 -8.127 1.00 0.00 C ATOM 1746 O VAL A 115 9.251 6.375 -7.548 1.00 0.00 O ATOM 1747 CB VAL A 115 8.777 7.697 -10.496 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.266 7.678 -10.148 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.589 7.269 -11.953 1.00 0.00 C ATOM 0 H VAL A 115 6.313 7.640 -10.378 1.00 0.00 H new ATOM 0 HA VAL A 115 8.325 5.704 -9.815 1.00 0.00 H new ATOM 0 HB VAL A 115 8.385 8.705 -10.357 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.801 8.370 -10.799 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.401 7.980 -9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.659 6.671 -10.287 1.00 0.00 H new ATOM 0 HG21 VAL A 115 9.123 7.959 -12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.982 6.262 -12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.528 7.281 -12.202 1.00 0.00 H new ATOM 1759 N GLN A 116 7.699 8.005 -7.546 1.00 0.00 N ATOM 1760 CA GLN A 116 7.956 8.381 -6.159 1.00 0.00 C ATOM 1761 C GLN A 116 7.793 7.181 -5.237 1.00 0.00 C ATOM 1762 O GLN A 116 8.614 6.952 -4.349 1.00 0.00 O ATOM 1763 CB GLN A 116 6.984 9.483 -5.733 1.00 0.00 C ATOM 1764 CG GLN A 116 7.376 10.007 -4.351 1.00 0.00 C ATOM 1765 CD GLN A 116 6.314 10.975 -3.842 1.00 0.00 C ATOM 1766 OE1 GLN A 116 5.137 10.621 -3.766 1.00 0.00 O ATOM 1767 NE2 GLN A 116 6.659 12.182 -3.488 1.00 0.00 N ATOM 0 H GLN A 116 6.973 8.552 -8.008 1.00 0.00 H new ATOM 0 HA GLN A 116 8.981 8.744 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.999 10.296 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.966 9.095 -5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.486 9.175 -3.655 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.342 10.509 -4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 116 7.635 12.473 -3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.953 12.835 -3.147 1.00 0.00 H new ATOM 1776 N HIS A 117 6.729 6.418 -5.451 1.00 0.00 N ATOM 1777 CA HIS A 117 6.473 5.244 -4.631 1.00 0.00 C ATOM 1778 C HIS A 117 7.551 4.188 -4.855 1.00 0.00 C ATOM 1779 O HIS A 117 8.046 3.580 -3.906 1.00 0.00 O ATOM 1780 CB HIS A 117 5.098 4.665 -4.963 1.00 0.00 C ATOM 1781 CG HIS A 117 4.750 3.595 -3.965 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.042 3.722 -2.617 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.120 2.383 -4.100 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.594 2.615 -1.997 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.020 1.763 -2.855 1.00 0.00 N ATOM 0 H HIS A 117 6.036 6.590 -6.179 1.00 0.00 H new ATOM 0 HA HIS A 117 6.492 5.542 -3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.345 5.453 -4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.100 4.250 -5.971 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.757 1.972 -5.030 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.686 2.436 -0.936 1.00 0.00 H new ATOM 0 HE2 HIS A 117 3.601 0.857 -2.644 1.00 0.00 H new ATOM 1793 N ARG A 118 7.911 3.978 -6.118 1.00 0.00 N ATOM 1794 CA ARG A 118 8.934 2.994 -6.455 1.00 0.00 C ATOM 1795 C ARG A 118 10.239 3.310 -5.732 1.00 0.00 C ATOM 1796 O ARG A 118 10.894 2.418 -5.192 1.00 0.00 O ATOM 1797 CB ARG A 118 9.175 2.994 -7.966 1.00 0.00 C ATOM 1798 CG ARG A 118 10.176 1.895 -8.328 1.00 0.00 C ATOM 1799 CD ARG A 118 10.468 1.945 -9.829 1.00 0.00 C ATOM 1800 NE ARG A 118 11.332 0.836 -10.213 1.00 0.00 N ATOM 1801 CZ ARG A 118 10.834 -0.372 -10.455 1.00 0.00 C ATOM 1802 NH1 ARG A 118 9.550 -0.580 -10.353 1.00 0.00 N ATOM 1803 NH2 ARG A 118 11.629 -1.349 -10.796 1.00 0.00 N ATOM 0 H ARG A 118 7.514 4.471 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 118 8.586 2.010 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.235 2.832 -8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.555 3.965 -8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.098 2.028 -7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.774 0.919 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.534 1.899 -10.390 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.945 2.892 -10.082 1.00 0.00 H new ATOM 0 HE ARG A 118 12.337 0.990 -10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 118 8.929 0.184 -10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 118 9.167 -1.507 -10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 118 12.633 -1.185 -10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 118 11.247 -2.276 -10.982 1.00 0.00 H new ATOM 1817 N ASN A 119 10.610 4.586 -5.720 1.00 0.00 N ATOM 1818 CA ASN A 119 11.836 5.008 -5.054 1.00 0.00 C ATOM 1819 C ASN A 119 11.750 4.752 -3.553 1.00 0.00 C ATOM 1820 O ASN A 119 12.735 4.371 -2.921 1.00 0.00 O ATOM 1821 CB ASN A 119 12.081 6.497 -5.306 1.00 0.00 C ATOM 1822 CG ASN A 119 12.320 6.740 -6.792 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.644 5.809 -7.530 1.00 0.00 O ATOM 1824 ND2 ASN A 119 12.180 7.942 -7.280 1.00 0.00 N ATOM 0 H ASN A 119 10.084 5.341 -6.160 1.00 0.00 H new ATOM 0 HA ASN A 119 12.664 4.428 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.223 7.078 -4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.943 6.835 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.339 8.111 -8.273 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.912 8.713 -6.668 1.00 0.00 H new ATOM 1831 N ASP A 120 10.565 4.965 -2.989 1.00 0.00 N ATOM 1832 CA ASP A 120 10.362 4.756 -1.560 1.00 0.00 C ATOM 1833 C ASP A 120 10.669 3.313 -1.175 1.00 0.00 C ATOM 1834 O ASP A 120 11.245 3.051 -0.121 1.00 0.00 O ATOM 1835 CB ASP A 120 8.916 5.089 -1.183 1.00 0.00 C ATOM 1836 CG ASP A 120 8.665 6.583 -1.348 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.628 7.308 -1.536 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.513 6.980 -1.283 1.00 0.00 O ATOM 0 H ASP A 120 9.737 5.280 -3.495 1.00 0.00 H new ATOM 0 HA ASP A 120 11.041 5.415 -1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.228 4.525 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.722 4.791 -0.153 1.00 0.00 H new ATOM 1843 N VAL A 121 10.278 2.380 -2.037 1.00 0.00 N ATOM 1844 CA VAL A 121 10.514 0.965 -1.776 1.00 0.00 C ATOM 1845 C VAL A 121 12.010 0.674 -1.707 1.00 0.00 C ATOM 1846 O VAL A 121 12.469 -0.073 -0.843 1.00 0.00 O ATOM 1847 CB VAL A 121 9.880 0.119 -2.878 1.00 0.00 C ATOM 1848 CG1 VAL A 121 10.263 -1.349 -2.681 1.00 0.00 C ATOM 1849 CG2 VAL A 121 8.357 0.260 -2.817 1.00 0.00 C ATOM 0 H VAL A 121 9.800 2.576 -2.916 1.00 0.00 H new ATOM 0 HA VAL A 121 10.062 0.712 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 121 10.239 0.461 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.810 -1.952 -3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.347 -1.451 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.905 -1.691 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.904 -0.344 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.999 -0.081 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.082 1.305 -2.958 1.00 0.00 H new ATOM 1859 N LEU A 122 12.763 1.271 -2.624 1.00 0.00 N ATOM 1860 CA LEU A 122 14.206 1.073 -2.666 1.00 0.00 C ATOM 1861 C LEU A 122 14.911 2.064 -1.742 1.00 0.00 C ATOM 1862 O LEU A 122 16.118 1.974 -1.525 1.00 0.00 O ATOM 1863 CB LEU A 122 14.710 1.260 -4.100 1.00 0.00 C ATOM 1864 CG LEU A 122 13.979 0.294 -5.038 1.00 0.00 C ATOM 1865 CD1 LEU A 122 14.150 0.768 -6.484 1.00 0.00 C ATOM 1866 CD2 LEU A 122 14.571 -1.112 -4.901 1.00 0.00 C ATOM 0 H LEU A 122 12.399 1.894 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 122 14.429 0.061 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 122 14.545 2.288 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 122 15.784 1.081 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 122 12.921 0.270 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 122 13.631 0.083 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 122 13.731 1.768 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 122 15.210 0.790 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.047 -1.794 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 122 15.629 -1.088 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.459 -1.455 -3.873 1.00 0.00 H new ATOM 1878 N ASN A 123 14.144 3.009 -1.202 1.00 0.00 N ATOM 1879 CA ASN A 123 14.698 4.017 -0.302 1.00 0.00 C ATOM 1880 C ASN A 123 15.780 4.833 -1.006 1.00 0.00 C ATOM 1881 O ASN A 123 16.847 5.083 -0.444 1.00 0.00 O ATOM 1882 CB ASN A 123 15.286 3.350 0.945 1.00 0.00 C ATOM 1883 CG ASN A 123 14.206 2.554 1.671 1.00 0.00 C ATOM 1884 OD1 ASN A 123 13.019 2.719 1.389 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.547 1.698 2.594 1.00 0.00 N ATOM 0 H ASN A 123 13.142 3.097 -1.371 1.00 0.00 H new ATOM 0 HA ASN A 123 13.891 4.686 -0.004 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.106 2.691 0.662 1.00 0.00 H new ATOM 0 HB3 ASN A 123 15.701 4.107 1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.830 1.163 3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.531 1.563 2.826 1.00 0.00 H new ATOM 1892 N ARG A 124 15.495 5.249 -2.236 1.00 0.00 N ATOM 1893 CA ARG A 124 16.449 6.039 -3.007 1.00 0.00 C ATOM 1894 C ARG A 124 15.753 7.227 -3.666 1.00 0.00 C ATOM 1895 O ARG A 124 16.111 7.549 -4.787 1.00 0.00 O ATOM 1896 CB ARG A 124 17.104 5.171 -4.084 1.00 0.00 C ATOM 1897 CG ARG A 124 17.940 4.077 -3.419 1.00 0.00 C ATOM 1898 CD ARG A 124 18.705 3.298 -4.489 1.00 0.00 C ATOM 1899 NE ARG A 124 17.784 2.779 -5.493 1.00 0.00 N ATOM 1900 CZ ARG A 124 18.228 2.288 -6.645 1.00 0.00 C ATOM 1901 NH1 ARG A 124 19.510 2.255 -6.888 1.00 0.00 N ATOM 1902 NH2 ARG A 124 17.385 1.838 -7.533 1.00 0.00 N ATOM 1903 OXT ARG A 124 14.874 7.795 -3.039 1.00 0.00 O ATOM 0 H ARG A 124 14.617 5.054 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 124 17.215 6.410 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.340 4.724 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 124 17.735 5.785 -4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 124 18.638 4.519 -2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 124 17.295 3.403 -2.855 1.00 0.00 H new ATOM 0 HD2 ARG A 124 19.442 3.946 -4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 124 19.252 2.476 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 124 16.781 2.793 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 124 20.170 2.606 -6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 124 19.852 1.878 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 124 16.383 1.863 -7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 124 17.728 1.461 -8.417 1.00 0.00 H new