USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 770 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 91 ASN : amide:sc= 0.412 K(o=0.92,f=-0.91) USER MOD Set 1.2: A 94 THR OG1 : rot -65:sc= 0.508 USER MOD Set 2.1: A 70 LYS NZ :NH3+ -148:sc= 0.628 (180deg=-1.05!) USER MOD Set 2.2: A 102 ASN : amide:sc= -0.252 K(o=0.38,f=-4.5!) USER MOD Set 3.1: A 48 HIS : no HD1:sc= 0.00795 K(o=-2.5,f=-11!) USER MOD Set 3.2: A 86 SER OG : rot -68:sc= -2.53! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -100:sc= -1.89 USER MOD Single : A 20 GLN : amide:sc= -5.89! C(o=-5.9!,f=-6.3!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -58:sc= 0.717 USER MOD Single : A 29 TYR OH : rot -32:sc= 0.00887 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -95:sc= -0.12 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -4.05! C(o=-4!,f=-3.8!) USER MOD Single : A 45 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.1!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 161:sc= -0.506 (180deg=-1.09) USER MOD Single : A 50 SER OG : rot 180:sc= -0.254 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= -0.0156 (180deg=-0.13) USER MOD Single : A 78 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.7) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 140:sc= -2.12! (180deg=-7.42!) USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= -0.463 (180deg=-0.806) USER MOD Single : A 92 GLN : amide:sc= -0.815 K(o=-0.81,f=-4.6!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 15.050 2.151 7.543 1.00 0.00 N ATOM 229 CA LEU A 12 13.807 2.508 6.868 1.00 0.00 C ATOM 230 C LEU A 12 13.589 4.017 6.890 1.00 0.00 C ATOM 231 O LEU A 12 14.016 4.718 7.808 1.00 0.00 O ATOM 232 CB LEU A 12 12.623 1.801 7.531 1.00 0.00 C ATOM 233 CG LEU A 12 12.509 0.298 7.275 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.510 -0.332 8.233 1.00 0.00 C ATOM 235 CD2 LEU A 12 12.109 0.030 5.832 1.00 0.00 C ATOM 0 HA LEU A 12 13.881 2.185 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.686 1.962 8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.704 2.278 7.190 1.00 0.00 H new ATOM 0 HG LEU A 12 13.485 -0.155 7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.442 -1.402 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.840 -0.172 9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.531 0.126 8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.033 -1.045 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.145 0.497 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.862 0.446 5.162 1.00 0.00 H new ATOM 247 N PRO A 13 12.907 4.532 5.855 1.00 0.00 N ATOM 248 CA PRO A 13 12.614 5.963 5.734 1.00 0.00 C ATOM 249 C PRO A 13 11.598 6.437 6.767 1.00 0.00 C ATOM 250 O PRO A 13 11.255 5.705 7.695 1.00 0.00 O ATOM 251 CB PRO A 13 12.039 6.088 4.321 1.00 0.00 C ATOM 252 CG PRO A 13 11.479 4.741 4.019 1.00 0.00 C ATOM 253 CD PRO A 13 12.367 3.756 4.726 1.00 0.00 C ATOM 0 HA PRO A 13 13.499 6.576 5.905 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.268 6.857 4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.810 6.366 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.450 4.659 4.368 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.467 4.555 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.808 2.885 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.160 3.390 4.074 1.00 0.00 H new ATOM 261 N ALA A 14 11.121 7.666 6.599 1.00 0.00 N ATOM 262 CA ALA A 14 10.141 8.237 7.517 1.00 0.00 C ATOM 263 C ALA A 14 8.731 8.131 6.949 1.00 0.00 C ATOM 264 O ALA A 14 8.532 7.628 5.843 1.00 0.00 O ATOM 265 CB ALA A 14 10.484 9.688 7.818 1.00 0.00 C ATOM 0 H ALA A 14 11.396 8.285 5.837 1.00 0.00 H new ATOM 0 HA ALA A 14 10.174 7.667 8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.745 10.102 8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.472 9.741 8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.481 10.262 6.892 1.00 0.00 H new ATOM 271 N LEU A 15 7.753 8.606 7.713 1.00 0.00 N ATOM 272 CA LEU A 15 6.359 8.566 7.286 1.00 0.00 C ATOM 273 C LEU A 15 6.130 9.477 6.084 1.00 0.00 C ATOM 274 O LEU A 15 6.796 10.502 5.934 1.00 0.00 O ATOM 275 CB LEU A 15 5.439 8.978 8.437 1.00 0.00 C ATOM 276 CG LEU A 15 3.957 8.648 8.262 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.771 7.174 7.940 1.00 0.00 C ATOM 278 CD2 LEU A 15 3.176 9.025 9.514 1.00 0.00 C ATOM 0 H LEU A 15 7.900 9.024 8.632 1.00 0.00 H new ATOM 0 HA LEU A 15 6.125 7.543 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.793 8.496 9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.536 10.053 8.586 1.00 0.00 H new ATOM 0 HG LEU A 15 3.571 9.232 7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.709 6.959 7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.297 6.934 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.173 6.570 8.754 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.123 8.783 9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.565 8.468 10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.281 10.094 9.700 1.00 0.00 H new ATOM 290 N TYR A 16 5.183 9.099 5.234 1.00 0.00 N ATOM 291 CA TYR A 16 4.865 9.883 4.046 1.00 0.00 C ATOM 292 C TYR A 16 6.128 10.204 3.252 1.00 0.00 C ATOM 293 O TYR A 16 6.178 11.188 2.512 1.00 0.00 O ATOM 294 CB TYR A 16 4.153 11.178 4.439 1.00 0.00 C ATOM 295 CG TYR A 16 2.819 10.954 5.115 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.914 10.022 4.620 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.462 11.675 6.248 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.695 9.814 5.234 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.245 11.472 6.869 1.00 0.00 C ATOM 300 CZ TYR A 16 0.365 10.542 6.359 1.00 0.00 C ATOM 301 OH TYR A 16 -0.849 10.339 6.974 1.00 0.00 O ATOM 0 H TYR A 16 4.622 8.255 5.345 1.00 0.00 H new ATOM 0 HA TYR A 16 4.202 9.289 3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.798 11.749 5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.001 11.785 3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.169 9.451 3.740 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.148 12.406 6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.004 9.086 4.836 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.984 12.039 7.750 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.924 10.930 7.752 1.00 0.00 H new ATOM 311 N THR A 17 7.148 9.367 3.412 1.00 0.00 N ATOM 312 CA THR A 17 8.412 9.561 2.712 1.00 0.00 C ATOM 313 C THR A 17 8.369 8.945 1.317 1.00 0.00 C ATOM 314 O THR A 17 7.825 7.856 1.127 1.00 0.00 O ATOM 315 CB THR A 17 9.588 8.948 3.495 1.00 0.00 C ATOM 316 OG1 THR A 17 9.710 9.584 4.771 1.00 0.00 O ATOM 317 CG2 THR A 17 10.889 9.096 2.721 1.00 0.00 C ATOM 0 H THR A 17 7.124 8.548 4.020 1.00 0.00 H new ATOM 0 HA THR A 17 8.563 10.637 2.627 1.00 0.00 H new ATOM 0 HB THR A 17 9.388 7.886 3.637 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.427 10.251 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.705 8.656 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.802 8.585 1.762 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.093 10.153 2.552 1.00 0.00 H new ATOM 325 N ILE A 18 8.945 9.646 0.348 1.00 0.00 N ATOM 326 CA ILE A 18 8.973 9.166 -1.028 1.00 0.00 C ATOM 327 C ILE A 18 10.362 8.662 -1.406 1.00 0.00 C ATOM 328 O ILE A 18 11.364 9.339 -1.176 1.00 0.00 O ATOM 329 CB ILE A 18 8.552 10.269 -2.018 1.00 0.00 C ATOM 330 CG1 ILE A 18 7.104 10.690 -1.761 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.723 9.786 -3.451 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.651 11.850 -2.619 1.00 0.00 C ATOM 0 H ILE A 18 9.399 10.548 0.490 1.00 0.00 H new ATOM 0 HA ILE A 18 8.261 8.343 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 18 9.194 11.137 -1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.449 9.838 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.994 10.960 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.422 10.576 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.768 9.531 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.102 8.905 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.615 12.094 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.282 12.717 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.729 11.576 -3.671 1.00 0.00 H new ATOM 344 N PHE A 19 10.414 7.469 -1.989 1.00 0.00 N ATOM 345 CA PHE A 19 11.680 6.873 -2.401 1.00 0.00 C ATOM 346 C PHE A 19 11.486 5.965 -3.611 1.00 0.00 C ATOM 347 O PHE A 19 10.357 5.636 -3.978 1.00 0.00 O ATOM 348 CB PHE A 19 12.294 6.080 -1.246 1.00 0.00 C ATOM 349 CG PHE A 19 11.345 5.095 -0.624 1.00 0.00 C ATOM 350 CD1 PHE A 19 11.208 3.819 -1.147 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.589 5.446 0.483 1.00 0.00 C ATOM 352 CE1 PHE A 19 10.336 2.911 -0.578 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.715 4.541 1.057 1.00 0.00 C ATOM 354 CZ PHE A 19 9.588 3.273 0.526 1.00 0.00 C ATOM 0 H PHE A 19 9.594 6.896 -2.187 1.00 0.00 H new ATOM 0 HA PHE A 19 12.359 7.679 -2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.173 5.547 -1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.637 6.776 -0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.790 3.531 -2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.683 6.437 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.239 1.920 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.132 4.826 1.920 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.905 2.565 0.973 1.00 0.00 H new ATOM 364 N GLN A 20 12.594 5.564 -4.226 1.00 0.00 N ATOM 365 CA GLN A 20 12.545 4.694 -5.395 1.00 0.00 C ATOM 366 C GLN A 20 12.991 3.280 -5.040 1.00 0.00 C ATOM 367 O GLN A 20 14.073 3.078 -4.493 1.00 0.00 O ATOM 368 CB GLN A 20 13.428 5.255 -6.511 1.00 0.00 C ATOM 369 CG GLN A 20 12.938 4.909 -7.908 1.00 0.00 C ATOM 370 CD GLN A 20 13.614 5.734 -8.985 1.00 0.00 C ATOM 371 OE1 GLN A 20 14.707 6.264 -8.783 1.00 0.00 O ATOM 372 NE2 GLN A 20 12.966 5.848 -10.138 1.00 0.00 N ATOM 0 H GLN A 20 13.535 5.827 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 20 11.513 4.653 -5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.480 6.339 -6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.442 4.875 -6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.117 3.851 -8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.860 5.064 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.062 5.392 -10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.372 6.392 -10.900 1.00 0.00 H new ATOM 381 N GLY A 21 12.148 2.301 -5.357 1.00 0.00 N ATOM 382 CA GLY A 21 12.472 0.918 -5.064 1.00 0.00 C ATOM 383 C GLY A 21 12.097 -0.018 -6.195 1.00 0.00 C ATOM 384 O GLY A 21 11.287 0.330 -7.053 1.00 0.00 O ATOM 0 H GLY A 21 11.246 2.442 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.540 0.833 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.953 0.611 -4.156 1.00 0.00 H new ATOM 388 N GLU A 22 12.689 -1.208 -6.198 1.00 0.00 N ATOM 389 CA GLU A 22 12.413 -2.197 -7.234 1.00 0.00 C ATOM 390 C GLU A 22 11.529 -3.318 -6.696 1.00 0.00 C ATOM 391 O GLU A 22 11.661 -3.729 -5.543 1.00 0.00 O ATOM 392 CB GLU A 22 13.720 -2.778 -7.777 1.00 0.00 C ATOM 393 CG GLU A 22 13.520 -3.963 -8.707 1.00 0.00 C ATOM 394 CD GLU A 22 14.760 -4.826 -8.827 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.066 -5.561 -7.864 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.425 -4.768 -9.882 1.00 0.00 O ATOM 0 H GLU A 22 13.363 -1.511 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 22 11.882 -1.697 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.261 -1.996 -8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.346 -3.086 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.693 -4.571 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.237 -3.601 -9.695 1.00 0.00 H new ATOM 403 N VAL A 23 10.627 -3.810 -7.539 1.00 0.00 N ATOM 404 CA VAL A 23 9.721 -4.883 -7.150 1.00 0.00 C ATOM 405 C VAL A 23 10.483 -6.176 -6.884 1.00 0.00 C ATOM 406 O VAL A 23 11.347 -6.571 -7.666 1.00 0.00 O ATOM 407 CB VAL A 23 8.658 -5.141 -8.234 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.955 -6.468 -7.988 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.655 -3.999 -8.280 1.00 0.00 C ATOM 0 H VAL A 23 10.504 -3.482 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 23 9.225 -4.562 -6.234 1.00 0.00 H new ATOM 0 HB VAL A 23 9.157 -5.195 -9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.207 -6.633 -8.764 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.686 -7.276 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.468 -6.446 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.912 -4.199 -9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.160 -3.911 -7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.174 -3.068 -8.508 1.00 0.00 H new ATOM 419 N ALA A 24 10.159 -6.831 -5.773 1.00 0.00 N ATOM 420 CA ALA A 24 10.812 -8.080 -5.405 1.00 0.00 C ATOM 421 C ALA A 24 9.819 -9.238 -5.398 1.00 0.00 C ATOM 422 O ALA A 24 10.200 -10.397 -5.556 1.00 0.00 O ATOM 423 CB ALA A 24 11.479 -7.946 -4.044 1.00 0.00 C ATOM 0 H ALA A 24 9.448 -6.516 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 24 11.576 -8.295 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.963 -8.887 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.225 -7.152 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.727 -7.703 -3.293 1.00 0.00 H new ATOM 429 N MET A 25 8.543 -8.915 -5.212 1.00 0.00 N ATOM 430 CA MET A 25 7.495 -9.928 -5.185 1.00 0.00 C ATOM 431 C MET A 25 6.203 -9.390 -5.791 1.00 0.00 C ATOM 432 O MET A 25 5.828 -8.241 -5.560 1.00 0.00 O ATOM 433 CB MET A 25 7.243 -10.392 -3.749 1.00 0.00 C ATOM 434 CG MET A 25 6.430 -11.674 -3.659 1.00 0.00 C ATOM 435 SD MET A 25 6.552 -12.462 -2.041 1.00 0.00 S ATOM 436 CE MET A 25 5.085 -13.489 -2.054 1.00 0.00 C ATOM 0 H MET A 25 8.210 -7.960 -5.078 1.00 0.00 H new ATOM 0 HA MET A 25 7.829 -10.777 -5.781 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.201 -10.543 -3.251 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.723 -9.603 -3.207 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.384 -11.452 -3.873 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.771 -12.371 -4.425 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.019 -14.042 -1.117 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.202 -12.860 -2.167 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.140 -14.191 -2.886 1.00 0.00 H new ATOM 446 N VAL A 26 5.526 -10.230 -6.570 1.00 0.00 N ATOM 447 CA VAL A 26 4.276 -9.839 -7.210 1.00 0.00 C ATOM 448 C VAL A 26 3.134 -10.760 -6.795 1.00 0.00 C ATOM 449 O VAL A 26 3.217 -11.980 -6.953 1.00 0.00 O ATOM 450 CB VAL A 26 4.402 -9.855 -8.744 1.00 0.00 C ATOM 451 CG1 VAL A 26 3.094 -9.425 -9.391 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.548 -8.960 -9.193 1.00 0.00 C ATOM 0 H VAL A 26 5.823 -11.185 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 26 4.057 -8.823 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 26 4.620 -10.874 -9.063 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.202 -9.442 -10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.299 -10.109 -9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.843 -8.415 -9.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.623 -8.983 -10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.362 -7.938 -8.864 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.481 -9.317 -8.757 1.00 0.00 H new ATOM 462 N THR A 27 2.069 -10.172 -6.262 1.00 0.00 N ATOM 463 CA THR A 27 0.910 -10.940 -5.823 1.00 0.00 C ATOM 464 C THR A 27 -0.383 -10.343 -6.367 1.00 0.00 C ATOM 465 O THR A 27 -0.448 -9.151 -6.673 1.00 0.00 O ATOM 466 CB THR A 27 0.827 -11.002 -4.287 1.00 0.00 C ATOM 467 OG1 THR A 27 0.562 -9.698 -3.757 1.00 0.00 O ATOM 468 CG2 THR A 27 2.121 -11.541 -3.696 1.00 0.00 C ATOM 0 H THR A 27 1.984 -9.165 -6.123 1.00 0.00 H new ATOM 0 HA THR A 27 1.033 -11.950 -6.214 1.00 0.00 H new ATOM 0 HB THR A 27 0.014 -11.676 -4.017 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.268 -9.080 -4.041 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.038 -11.575 -2.610 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.305 -12.545 -4.078 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.948 -10.889 -3.976 1.00 0.00 H new ATOM 476 N ASP A 28 -1.410 -11.177 -6.485 1.00 0.00 N ATOM 477 CA ASP A 28 -2.703 -10.730 -6.991 1.00 0.00 C ATOM 478 C ASP A 28 -3.366 -9.766 -6.013 1.00 0.00 C ATOM 479 O ASP A 28 -4.409 -9.184 -6.310 1.00 0.00 O ATOM 480 CB ASP A 28 -3.618 -11.930 -7.242 1.00 0.00 C ATOM 481 CG ASP A 28 -5.075 -11.531 -7.368 1.00 0.00 C ATOM 482 OD1 ASP A 28 -5.454 -11.000 -8.433 1.00 0.00 O ATOM 483 OD2 ASP A 28 -5.836 -11.750 -6.404 1.00 0.00 O ATOM 0 H ASP A 28 -1.373 -12.166 -6.237 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.536 -10.206 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.304 -12.439 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.509 -12.643 -6.425 1.00 0.00 H new ATOM 488 N TYR A 29 -2.754 -9.602 -4.845 1.00 0.00 N ATOM 489 CA TYR A 29 -3.286 -8.711 -3.822 1.00 0.00 C ATOM 490 C TYR A 29 -2.338 -7.543 -3.570 1.00 0.00 C ATOM 491 O TYR A 29 -2.550 -6.740 -2.662 1.00 0.00 O ATOM 492 CB TYR A 29 -3.524 -9.479 -2.520 1.00 0.00 C ATOM 493 CG TYR A 29 -2.254 -9.999 -1.884 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.425 -9.158 -1.152 1.00 0.00 C ATOM 495 CD2 TYR A 29 -1.884 -11.333 -2.014 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.265 -9.629 -0.570 1.00 0.00 C ATOM 497 CE2 TYR A 29 -0.726 -11.812 -1.434 1.00 0.00 C ATOM 498 CZ TYR A 29 0.080 -10.957 -0.713 1.00 0.00 C ATOM 499 OH TYR A 29 1.235 -11.430 -0.134 1.00 0.00 O ATOM 0 H TYR A 29 -1.889 -10.075 -4.584 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.236 -8.314 -4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.035 -8.827 -1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.191 -10.318 -2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.693 -8.118 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.513 -12.006 -2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.369 -8.961 -0.006 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.453 -12.851 -1.545 1.00 0.00 H new ATOM 0 HH TYR A 29 1.910 -10.719 -0.122 1.00 0.00 H new ATOM 509 N GLY A 30 -1.290 -7.453 -4.383 1.00 0.00 N ATOM 510 CA GLY A 30 -0.324 -6.380 -4.234 1.00 0.00 C ATOM 511 C GLY A 30 1.071 -6.792 -4.661 1.00 0.00 C ATOM 512 O GLY A 30 1.260 -7.862 -5.239 1.00 0.00 O ATOM 0 H GLY A 30 -1.093 -8.104 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.644 -5.523 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.302 -6.057 -3.193 1.00 0.00 H new ATOM 516 N ALA A 31 2.050 -5.941 -4.375 1.00 0.00 N ATOM 517 CA ALA A 31 3.435 -6.223 -4.733 1.00 0.00 C ATOM 518 C ALA A 31 4.396 -5.680 -3.679 1.00 0.00 C ATOM 519 O ALA A 31 4.115 -4.674 -3.030 1.00 0.00 O ATOM 520 CB ALA A 31 3.759 -5.633 -6.098 1.00 0.00 C ATOM 0 H ALA A 31 1.910 -5.051 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 31 3.559 -7.305 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.796 -5.851 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.102 -6.071 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.611 -4.553 -6.072 1.00 0.00 H new ATOM 526 N PHE A 32 5.529 -6.356 -3.516 1.00 0.00 N ATOM 527 CA PHE A 32 6.530 -5.942 -2.540 1.00 0.00 C ATOM 528 C PHE A 32 7.632 -5.121 -3.205 1.00 0.00 C ATOM 529 O PHE A 32 8.108 -5.465 -4.286 1.00 0.00 O ATOM 530 CB PHE A 32 7.136 -7.166 -1.850 1.00 0.00 C ATOM 531 CG PHE A 32 6.132 -7.982 -1.087 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.061 -8.571 -1.737 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.260 -8.159 0.282 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.136 -9.323 -1.038 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.338 -8.911 0.986 1.00 0.00 C ATOM 536 CZ PHE A 32 4.274 -9.493 0.326 1.00 0.00 C ATOM 0 H PHE A 32 5.776 -7.191 -4.046 1.00 0.00 H new ATOM 0 HA PHE A 32 6.038 -5.319 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.611 -7.798 -2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.920 -6.838 -1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.947 -8.441 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.089 -7.705 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.306 -9.778 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.450 -9.043 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.552 -10.079 0.874 1.00 0.00 H new ATOM 546 N ILE A 33 8.030 -4.036 -2.549 1.00 0.00 N ATOM 547 CA ILE A 33 9.075 -3.166 -3.076 1.00 0.00 C ATOM 548 C ILE A 33 10.248 -3.069 -2.107 1.00 0.00 C ATOM 549 O ILE A 33 10.064 -2.841 -0.911 1.00 0.00 O ATOM 550 CB ILE A 33 8.539 -1.750 -3.359 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.233 -1.826 -4.152 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.577 -0.934 -4.114 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.428 -2.194 -5.605 1.00 0.00 C ATOM 0 H ILE A 33 7.645 -3.738 -1.652 1.00 0.00 H new ATOM 0 HA ILE A 33 9.415 -3.610 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 33 8.337 -1.256 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.576 -2.560 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.726 -0.863 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.185 0.064 -4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.485 -0.858 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.806 -1.423 -5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.460 -2.229 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.059 -1.448 -6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.906 -3.171 -5.672 1.00 0.00 H new ATOM 565 N LYS A 34 11.457 -3.244 -2.631 1.00 0.00 N ATOM 566 CA LYS A 34 12.663 -3.172 -1.815 1.00 0.00 C ATOM 567 C LYS A 34 13.103 -1.725 -1.620 1.00 0.00 C ATOM 568 O LYS A 34 13.142 -0.945 -2.571 1.00 0.00 O ATOM 569 CB LYS A 34 13.791 -3.976 -2.466 1.00 0.00 C ATOM 570 CG LYS A 34 13.556 -5.477 -2.449 1.00 0.00 C ATOM 571 CD LYS A 34 14.838 -6.245 -2.725 1.00 0.00 C ATOM 572 CE LYS A 34 15.632 -6.481 -1.450 1.00 0.00 C ATOM 573 NZ LYS A 34 16.975 -7.060 -1.731 1.00 0.00 N ATOM 0 H LYS A 34 11.627 -3.437 -3.618 1.00 0.00 H new ATOM 0 HA LYS A 34 12.437 -3.599 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.911 -3.647 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.726 -3.757 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.155 -5.773 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.807 -5.737 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.597 -7.202 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.449 -5.691 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.748 -5.539 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.077 -7.153 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.484 -7.206 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.865 -7.972 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.515 -6.407 -2.334 1.00 0.00 H new ATOM 587 N ILE A 35 13.434 -1.374 -0.382 1.00 0.00 N ATOM 588 CA ILE A 35 13.875 -0.022 -0.063 1.00 0.00 C ATOM 589 C ILE A 35 15.392 0.098 -0.151 1.00 0.00 C ATOM 590 O ILE A 35 16.136 -0.765 0.314 1.00 0.00 O ATOM 591 CB ILE A 35 13.419 0.400 1.346 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.899 0.288 1.470 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.877 1.820 1.647 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.411 0.229 2.900 1.00 0.00 C ATOM 0 H ILE A 35 13.405 -2.008 0.417 1.00 0.00 H new ATOM 0 HA ILE A 35 13.418 0.640 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 35 13.874 -0.271 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.438 1.142 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.565 -0.606 0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.547 2.104 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.965 1.870 1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.447 2.504 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.324 0.150 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.843 -0.640 3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.714 1.134 3.426 1.00 0.00 H new ATOM 606 N PRO A 36 15.865 1.194 -0.764 1.00 0.00 N ATOM 607 CA PRO A 36 17.297 1.454 -0.927 1.00 0.00 C ATOM 608 C PRO A 36 17.982 1.779 0.397 1.00 0.00 C ATOM 609 O PRO A 36 17.378 2.372 1.290 1.00 0.00 O ATOM 610 CB PRO A 36 17.334 2.668 -1.859 1.00 0.00 C ATOM 611 CG PRO A 36 16.029 3.352 -1.641 1.00 0.00 C ATOM 612 CD PRO A 36 15.035 2.264 -1.343 1.00 0.00 C ATOM 0 HA PRO A 36 17.827 0.584 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 36 18.170 3.325 -1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.453 2.365 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.093 4.059 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.734 3.919 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.268 2.600 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.521 1.931 -2.245 1.00 0.00 H new ATOM 620 N GLY A 37 19.247 1.386 0.517 1.00 0.00 N ATOM 621 CA GLY A 37 19.991 1.645 1.735 1.00 0.00 C ATOM 622 C GLY A 37 19.344 1.020 2.955 1.00 0.00 C ATOM 623 O GLY A 37 19.698 1.344 4.089 1.00 0.00 O ATOM 0 H GLY A 37 19.769 0.893 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 37 21.004 1.258 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 37 20.075 2.722 1.884 1.00 0.00 H new ATOM 627 N CYS A 38 18.391 0.124 2.722 1.00 0.00 N ATOM 628 CA CYS A 38 17.689 -0.546 3.812 1.00 0.00 C ATOM 629 C CYS A 38 17.666 -2.056 3.595 1.00 0.00 C ATOM 630 O CYS A 38 18.185 -2.558 2.600 1.00 0.00 O ATOM 631 CB CYS A 38 16.261 -0.014 3.931 1.00 0.00 C ATOM 632 SG CYS A 38 16.146 1.634 4.669 1.00 0.00 S ATOM 0 H CYS A 38 18.087 -0.155 1.789 1.00 0.00 H new ATOM 0 HA CYS A 38 18.224 -0.337 4.739 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.810 0.012 2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.674 -0.710 4.530 1.00 0.00 H new ATOM 0 HG CYS A 38 15.919 1.524 5.944 1.00 0.00 H new ATOM 638 N ARG A 39 17.061 -2.773 4.538 1.00 0.00 N ATOM 639 CA ARG A 39 16.972 -4.226 4.451 1.00 0.00 C ATOM 640 C ARG A 39 15.518 -4.677 4.344 1.00 0.00 C ATOM 641 O ARG A 39 15.168 -5.480 3.480 1.00 0.00 O ATOM 642 CB ARG A 39 17.629 -4.871 5.673 1.00 0.00 C ATOM 643 CG ARG A 39 19.127 -5.081 5.520 1.00 0.00 C ATOM 644 CD ARG A 39 19.697 -5.889 6.676 1.00 0.00 C ATOM 645 NE ARG A 39 19.977 -5.054 7.841 1.00 0.00 N ATOM 646 CZ ARG A 39 20.464 -5.526 8.983 1.00 0.00 C ATOM 647 NH1 ARG A 39 20.724 -6.821 9.112 1.00 0.00 N ATOM 648 NH2 ARG A 39 20.693 -4.704 9.999 1.00 0.00 N ATOM 0 H ARG A 39 16.626 -2.372 5.369 1.00 0.00 H new ATOM 0 HA ARG A 39 17.499 -4.545 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 39 17.446 -4.245 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 39 17.154 -5.833 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.329 -5.595 4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.628 -4.114 5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.992 -6.673 6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 39 20.614 -6.383 6.355 1.00 0.00 H new ATOM 0 HE ARG A 39 19.788 -4.054 7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.550 -7.456 8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.098 -7.181 9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.495 -3.708 9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 39 21.067 -5.068 10.875 1.00 0.00 H new ATOM 662 N LYS A 40 14.676 -4.154 5.229 1.00 0.00 N ATOM 663 CA LYS A 40 13.260 -4.501 5.234 1.00 0.00 C ATOM 664 C LYS A 40 12.572 -3.999 3.970 1.00 0.00 C ATOM 665 O LYS A 40 13.000 -3.014 3.369 1.00 0.00 O ATOM 666 CB LYS A 40 12.574 -3.911 6.470 1.00 0.00 C ATOM 667 CG LYS A 40 11.327 -4.668 6.893 1.00 0.00 C ATOM 668 CD LYS A 40 11.664 -5.822 7.824 1.00 0.00 C ATOM 669 CE LYS A 40 10.417 -6.588 8.235 1.00 0.00 C ATOM 670 NZ LYS A 40 10.054 -7.633 7.239 1.00 0.00 N ATOM 0 H LYS A 40 14.950 -3.488 5.952 1.00 0.00 H new ATOM 0 HA LYS A 40 13.178 -5.588 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.282 -3.902 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.308 -2.874 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.638 -3.986 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.815 -5.049 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.361 -6.498 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.167 -5.439 8.712 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.581 -7.054 9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.586 -5.893 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.199 -8.133 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.873 -7.186 6.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.837 -8.311 7.147 1.00 0.00 H new ATOM 684 N GLN A 41 11.502 -4.680 3.573 1.00 0.00 N ATOM 685 CA GLN A 41 10.755 -4.302 2.379 1.00 0.00 C ATOM 686 C GLN A 41 9.317 -3.934 2.731 1.00 0.00 C ATOM 687 O GLN A 41 8.787 -4.368 3.753 1.00 0.00 O ATOM 688 CB GLN A 41 10.767 -5.444 1.361 1.00 0.00 C ATOM 689 CG GLN A 41 12.148 -6.034 1.124 1.00 0.00 C ATOM 690 CD GLN A 41 12.128 -7.191 0.145 1.00 0.00 C ATOM 691 OE1 GLN A 41 11.157 -7.385 -0.585 1.00 0.00 O ATOM 692 NE2 GLN A 41 13.205 -7.968 0.126 1.00 0.00 N ATOM 0 H GLN A 41 11.133 -5.496 4.061 1.00 0.00 H new ATOM 0 HA GLN A 41 11.238 -3.429 1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.098 -6.233 1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.369 -5.079 0.414 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.812 -5.256 0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.562 -6.374 2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.988 -7.770 0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.249 -8.763 -0.512 1.00 0.00 H new ATOM 701 N GLY A 42 8.691 -3.130 1.877 1.00 0.00 N ATOM 702 CA GLY A 42 7.320 -2.716 2.116 1.00 0.00 C ATOM 703 C GLY A 42 6.356 -3.291 1.097 1.00 0.00 C ATOM 704 O GLY A 42 6.692 -3.425 -0.080 1.00 0.00 O ATOM 0 H GLY A 42 9.108 -2.758 1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.018 -3.030 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.263 -1.628 2.092 1.00 0.00 H new ATOM 708 N LEU A 43 5.155 -3.633 1.550 1.00 0.00 N ATOM 709 CA LEU A 43 4.138 -4.198 0.670 1.00 0.00 C ATOM 710 C LEU A 43 3.168 -3.120 0.197 1.00 0.00 C ATOM 711 O LEU A 43 2.763 -2.251 0.969 1.00 0.00 O ATOM 712 CB LEU A 43 3.373 -5.309 1.390 1.00 0.00 C ATOM 713 CG LEU A 43 2.057 -5.746 0.744 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.321 -6.693 -0.416 1.00 0.00 C ATOM 715 CD2 LEU A 43 1.149 -6.402 1.774 1.00 0.00 C ATOM 0 H LEU A 43 4.862 -3.529 2.521 1.00 0.00 H new ATOM 0 HA LEU A 43 4.639 -4.617 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.024 -6.180 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.163 -4.978 2.407 1.00 0.00 H new ATOM 0 HG LEU A 43 1.553 -4.861 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.374 -6.993 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.932 -6.189 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.847 -7.576 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.218 -6.706 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.646 -7.278 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.932 -5.692 2.573 1.00 0.00 H new ATOM 727 N VAL A 44 2.795 -3.185 -1.078 1.00 0.00 N ATOM 728 CA VAL A 44 1.869 -2.217 -1.653 1.00 0.00 C ATOM 729 C VAL A 44 0.538 -2.873 -2.007 1.00 0.00 C ATOM 730 O VAL A 44 0.476 -3.755 -2.865 1.00 0.00 O ATOM 731 CB VAL A 44 2.457 -1.561 -2.917 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.507 -0.504 -3.461 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.822 -0.960 -2.618 1.00 0.00 C ATOM 0 H VAL A 44 3.120 -3.898 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 44 1.703 -1.449 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 44 2.583 -2.329 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.939 -0.051 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.553 -0.967 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.347 0.265 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.223 -0.501 -3.521 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.724 -0.204 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.498 -1.744 -2.279 1.00 0.00 H new ATOM 743 N HIS A 45 -0.525 -2.436 -1.340 1.00 0.00 N ATOM 744 CA HIS A 45 -1.857 -2.980 -1.585 1.00 0.00 C ATOM 745 C HIS A 45 -2.247 -2.823 -3.052 1.00 0.00 C ATOM 746 O HIS A 45 -1.852 -1.861 -3.710 1.00 0.00 O ATOM 747 CB HIS A 45 -2.887 -2.283 -0.695 1.00 0.00 C ATOM 748 CG HIS A 45 -4.049 -3.154 -0.328 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.183 -2.674 0.292 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.248 -4.482 -0.500 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.029 -3.669 0.488 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.486 -4.778 0.016 1.00 0.00 N ATOM 0 H HIS A 45 -0.491 -1.708 -0.627 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.838 -4.043 -1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.396 -1.943 0.217 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.257 -1.395 -1.208 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.561 -5.179 -0.958 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.000 -3.590 0.955 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.916 -5.703 0.032 1.00 0.00 H new ATOM 760 N ARG A 46 -3.023 -3.776 -3.557 1.00 0.00 N ATOM 761 CA ARG A 46 -3.464 -3.745 -4.947 1.00 0.00 C ATOM 762 C ARG A 46 -4.253 -2.472 -5.238 1.00 0.00 C ATOM 763 O ARG A 46 -4.173 -1.915 -6.334 1.00 0.00 O ATOM 764 CB ARG A 46 -4.321 -4.973 -5.260 1.00 0.00 C ATOM 765 CG ARG A 46 -5.482 -5.166 -4.297 1.00 0.00 C ATOM 766 CD ARG A 46 -6.477 -6.188 -4.821 1.00 0.00 C ATOM 767 NE ARG A 46 -7.801 -6.019 -4.227 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.584 -4.973 -4.465 1.00 0.00 C ATOM 769 NH1 ARG A 46 -8.179 -4.008 -5.278 1.00 0.00 N ATOM 770 NH2 ARG A 46 -9.776 -4.890 -3.886 1.00 0.00 N ATOM 0 H ARG A 46 -3.359 -4.579 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.579 -3.757 -5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.712 -4.884 -6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.690 -5.861 -5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.102 -5.490 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.987 -4.213 -4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.552 -6.098 -5.905 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.110 -7.192 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.142 -6.743 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.263 -4.067 -5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.783 -3.206 -5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.091 -5.630 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.377 -4.086 -4.069 1.00 0.00 H new ATOM 784 N THR A 47 -5.017 -2.016 -4.250 1.00 0.00 N ATOM 785 CA THR A 47 -5.822 -0.811 -4.400 1.00 0.00 C ATOM 786 C THR A 47 -4.944 0.434 -4.448 1.00 0.00 C ATOM 787 O THR A 47 -5.357 1.479 -4.954 1.00 0.00 O ATOM 788 CB THR A 47 -6.837 -0.665 -3.250 1.00 0.00 C ATOM 789 OG1 THR A 47 -7.667 0.480 -3.471 1.00 0.00 O ATOM 790 CG2 THR A 47 -6.123 -0.532 -1.913 1.00 0.00 C ATOM 0 H THR A 47 -5.095 -2.464 -3.337 1.00 0.00 H new ATOM 0 HA THR A 47 -6.363 -0.908 -5.341 1.00 0.00 H new ATOM 0 HB THR A 47 -7.457 -1.561 -3.225 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.310 0.565 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.859 -0.430 -1.116 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.516 -1.420 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.482 0.349 -1.929 1.00 0.00 H new ATOM 798 N HIS A 48 -3.730 0.317 -3.920 1.00 0.00 N ATOM 799 CA HIS A 48 -2.792 1.435 -3.903 1.00 0.00 C ATOM 800 C HIS A 48 -1.914 1.425 -5.151 1.00 0.00 C ATOM 801 O HIS A 48 -1.265 2.420 -5.472 1.00 0.00 O ATOM 802 CB HIS A 48 -1.919 1.377 -2.650 1.00 0.00 C ATOM 803 CG HIS A 48 -2.562 1.986 -1.443 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.597 3.345 -1.214 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.198 1.413 -0.394 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.226 3.582 -0.077 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.601 2.426 0.440 1.00 0.00 N ATOM 0 H HIS A 48 -3.372 -0.540 -3.498 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.367 2.361 -3.892 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.675 0.337 -2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.978 1.891 -2.849 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.358 0.356 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.403 4.555 0.356 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.108 2.305 1.317 1.00 0.00 H new ATOM 815 N MET A 49 -1.899 0.294 -5.849 1.00 0.00 N ATOM 816 CA MET A 49 -1.100 0.156 -7.061 1.00 0.00 C ATOM 817 C MET A 49 -1.631 1.062 -8.168 1.00 0.00 C ATOM 818 O MET A 49 -0.866 1.765 -8.827 1.00 0.00 O ATOM 819 CB MET A 49 -1.099 -1.299 -7.534 1.00 0.00 C ATOM 820 CG MET A 49 -0.230 -2.213 -6.685 1.00 0.00 C ATOM 821 SD MET A 49 -0.273 -3.927 -7.243 1.00 0.00 S ATOM 822 CE MET A 49 1.291 -4.042 -8.108 1.00 0.00 C ATOM 0 H MET A 49 -2.430 -0.539 -5.596 1.00 0.00 H new ATOM 0 HA MET A 49 -0.078 0.456 -6.829 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.122 -1.675 -7.528 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.752 -1.337 -8.566 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.799 -1.853 -6.707 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.563 -2.164 -5.648 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.571 -5.090 -8.216 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.195 -3.588 -9.095 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.060 -3.518 -7.541 1.00 0.00 H new ATOM 832 N SER A 50 -2.945 1.038 -8.367 1.00 0.00 N ATOM 833 CA SER A 50 -3.577 1.855 -9.397 1.00 0.00 C ATOM 834 C SER A 50 -4.327 3.028 -8.775 1.00 0.00 C ATOM 835 O SER A 50 -4.472 3.112 -7.555 1.00 0.00 O ATOM 836 CB SER A 50 -4.536 1.006 -10.232 1.00 0.00 C ATOM 837 OG SER A 50 -3.862 0.387 -11.314 1.00 0.00 O ATOM 0 H SER A 50 -3.593 0.462 -7.829 1.00 0.00 H new ATOM 0 HA SER A 50 -2.795 2.250 -10.045 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.994 0.244 -9.602 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.343 1.632 -10.613 1.00 0.00 H new ATOM 0 HG SER A 50 -4.498 -0.151 -11.831 1.00 0.00 H new ATOM 843 N SER A 51 -4.804 3.933 -9.623 1.00 0.00 N ATOM 844 CA SER A 51 -5.538 5.105 -9.158 1.00 0.00 C ATOM 845 C SER A 51 -6.826 4.695 -8.452 1.00 0.00 C ATOM 846 O SER A 51 -6.963 4.863 -7.240 1.00 0.00 O ATOM 847 CB SER A 51 -5.859 6.031 -10.333 1.00 0.00 C ATOM 848 OG SER A 51 -6.885 6.948 -9.993 1.00 0.00 O ATOM 0 H SER A 51 -4.696 3.878 -10.636 1.00 0.00 H new ATOM 0 HA SER A 51 -4.908 5.638 -8.446 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.962 6.576 -10.626 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.167 5.438 -11.194 1.00 0.00 H new ATOM 0 HG SER A 51 -7.071 7.530 -10.759 1.00 0.00 H new ATOM 854 N CYS A 52 -7.767 4.156 -9.219 1.00 0.00 N ATOM 855 CA CYS A 52 -9.047 3.722 -8.668 1.00 0.00 C ATOM 856 C CYS A 52 -9.313 2.258 -9.000 1.00 0.00 C ATOM 857 O CYS A 52 -9.289 1.396 -8.121 1.00 0.00 O ATOM 858 CB CYS A 52 -10.181 4.594 -9.208 1.00 0.00 C ATOM 859 SG CYS A 52 -10.383 6.165 -8.336 1.00 0.00 S ATOM 0 H CYS A 52 -7.668 4.009 -10.224 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.002 3.828 -7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.998 4.797 -10.263 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.115 4.035 -9.149 1.00 0.00 H new ATOM 0 HG CYS A 52 -11.364 6.833 -8.866 1.00 0.00 H new ATOM 865 N ARG A 53 -9.567 1.982 -10.276 1.00 0.00 N ATOM 866 CA ARG A 53 -9.840 0.623 -10.724 1.00 0.00 C ATOM 867 C ARG A 53 -8.546 -0.169 -10.884 1.00 0.00 C ATOM 868 O ARG A 53 -7.578 0.316 -11.471 1.00 0.00 O ATOM 869 CB ARG A 53 -10.604 0.643 -12.050 1.00 0.00 C ATOM 870 CG ARG A 53 -11.049 -0.732 -12.519 1.00 0.00 C ATOM 871 CD ARG A 53 -12.141 -1.300 -11.626 1.00 0.00 C ATOM 872 NE ARG A 53 -12.538 -2.645 -12.033 1.00 0.00 N ATOM 873 CZ ARG A 53 -13.631 -3.254 -11.589 1.00 0.00 C ATOM 874 NH1 ARG A 53 -14.432 -2.642 -10.729 1.00 0.00 N ATOM 875 NH2 ARG A 53 -13.925 -4.479 -12.007 1.00 0.00 N ATOM 0 H ARG A 53 -9.589 2.683 -11.017 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.453 0.135 -9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.480 1.282 -11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.972 1.092 -12.817 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.413 -0.667 -13.544 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.195 -1.409 -12.526 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.790 -1.323 -10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.010 -0.642 -11.653 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.943 -3.144 -12.695 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.210 -1.700 -10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.271 -3.113 -10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.311 -4.953 -12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.765 -4.947 -11.666 1.00 0.00 H new ATOM 889 N VAL A 54 -8.534 -1.388 -10.356 1.00 0.00 N ATOM 890 CA VAL A 54 -7.358 -2.247 -10.440 1.00 0.00 C ATOM 891 C VAL A 54 -7.710 -3.602 -11.041 1.00 0.00 C ATOM 892 O VAL A 54 -8.094 -4.529 -10.327 1.00 0.00 O ATOM 893 CB VAL A 54 -6.721 -2.461 -9.055 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.293 -2.967 -9.197 1.00 0.00 C ATOM 895 CG2 VAL A 54 -6.761 -1.175 -8.245 1.00 0.00 C ATOM 0 H VAL A 54 -9.325 -1.804 -9.865 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.641 -1.742 -11.087 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.298 -3.217 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.859 -3.113 -8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.295 -3.915 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.701 -2.237 -9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.306 -1.345 -7.269 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.209 -0.396 -8.771 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.796 -0.860 -8.113 1.00 0.00 H new ATOM 905 N ASP A 55 -7.577 -3.713 -12.359 1.00 0.00 N ATOM 906 CA ASP A 55 -7.879 -4.956 -13.056 1.00 0.00 C ATOM 907 C ASP A 55 -6.995 -6.093 -12.550 1.00 0.00 C ATOM 908 O ASP A 55 -7.487 -7.080 -12.004 1.00 0.00 O ATOM 909 CB ASP A 55 -7.689 -4.779 -14.563 1.00 0.00 C ATOM 910 CG ASP A 55 -8.873 -4.096 -15.220 1.00 0.00 C ATOM 911 OD1 ASP A 55 -9.123 -2.914 -14.907 1.00 0.00 O ATOM 912 OD2 ASP A 55 -9.550 -4.745 -16.046 1.00 0.00 O ATOM 0 H ASP A 55 -7.262 -2.956 -12.965 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.919 -5.212 -12.855 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.788 -4.194 -14.746 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.534 -5.755 -15.024 1.00 0.00 H new ATOM 917 N LYS A 56 -5.687 -5.946 -12.736 1.00 0.00 N ATOM 918 CA LYS A 56 -4.734 -6.959 -12.299 1.00 0.00 C ATOM 919 C LYS A 56 -3.405 -6.321 -11.906 1.00 0.00 C ATOM 920 O LYS A 56 -2.753 -5.647 -12.704 1.00 0.00 O ATOM 921 CB LYS A 56 -4.510 -7.990 -13.407 1.00 0.00 C ATOM 922 CG LYS A 56 -5.467 -9.167 -13.345 1.00 0.00 C ATOM 923 CD LYS A 56 -4.909 -10.295 -12.491 1.00 0.00 C ATOM 924 CE LYS A 56 -5.656 -11.598 -12.733 1.00 0.00 C ATOM 925 NZ LYS A 56 -7.012 -11.583 -12.120 1.00 0.00 N ATOM 0 H LYS A 56 -5.263 -5.135 -13.186 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.149 -7.460 -11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.613 -7.499 -14.375 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.487 -8.361 -13.345 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.423 -8.839 -12.937 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.660 -9.534 -14.353 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.851 -10.434 -12.715 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.979 -10.024 -11.437 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.744 -11.772 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.081 -12.428 -12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.488 -12.489 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.927 -11.443 -11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.570 -10.807 -12.530 1.00 0.00 H new ATOM 939 N PRO A 57 -2.992 -6.538 -10.649 1.00 0.00 N ATOM 940 CA PRO A 57 -1.736 -5.994 -10.123 1.00 0.00 C ATOM 941 C PRO A 57 -0.513 -6.659 -10.743 1.00 0.00 C ATOM 942 O PRO A 57 0.571 -6.077 -10.777 1.00 0.00 O ATOM 943 CB PRO A 57 -1.814 -6.307 -8.627 1.00 0.00 C ATOM 944 CG PRO A 57 -2.718 -7.486 -8.532 1.00 0.00 C ATOM 945 CD PRO A 57 -3.719 -7.331 -9.643 1.00 0.00 C ATOM 0 HA PRO A 57 -1.626 -4.933 -10.345 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.829 -6.530 -8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.208 -5.460 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.159 -8.416 -8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.214 -7.520 -7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.030 -8.297 -10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.620 -6.821 -9.304 1.00 0.00 H new ATOM 953 N SER A 58 -0.694 -7.881 -11.234 1.00 0.00 N ATOM 954 CA SER A 58 0.397 -8.627 -11.851 1.00 0.00 C ATOM 955 C SER A 58 0.700 -8.091 -13.246 1.00 0.00 C ATOM 956 O SER A 58 1.640 -8.537 -13.904 1.00 0.00 O ATOM 957 CB SER A 58 0.049 -10.114 -11.927 1.00 0.00 C ATOM 958 OG SER A 58 -0.813 -10.380 -13.021 1.00 0.00 O ATOM 0 H SER A 58 -1.586 -8.376 -11.217 1.00 0.00 H new ATOM 0 HA SER A 58 1.285 -8.502 -11.232 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.962 -10.700 -12.029 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.429 -10.427 -10.999 1.00 0.00 H new ATOM 0 HG SER A 58 -1.020 -11.338 -13.049 1.00 0.00 H new ATOM 964 N GLU A 59 -0.103 -7.130 -13.693 1.00 0.00 N ATOM 965 CA GLU A 59 0.078 -6.534 -15.011 1.00 0.00 C ATOM 966 C GLU A 59 0.565 -5.092 -14.893 1.00 0.00 C ATOM 967 O GLU A 59 0.950 -4.474 -15.886 1.00 0.00 O ATOM 968 CB GLU A 59 -1.232 -6.579 -15.800 1.00 0.00 C ATOM 969 CG GLU A 59 -1.675 -7.986 -16.165 1.00 0.00 C ATOM 970 CD GLU A 59 -0.612 -8.753 -16.927 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.370 -9.195 -16.295 1.00 0.00 O ATOM 972 OE2 GLU A 59 -0.763 -8.911 -18.156 1.00 0.00 O ATOM 0 H GLU A 59 -0.885 -6.748 -13.161 1.00 0.00 H new ATOM 0 HA GLU A 59 0.833 -7.112 -15.543 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.016 -6.101 -15.213 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.117 -5.995 -16.713 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.929 -8.530 -15.255 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.582 -7.933 -16.768 1.00 0.00 H new ATOM 979 N ILE A 60 0.543 -4.565 -13.675 1.00 0.00 N ATOM 980 CA ILE A 60 0.982 -3.196 -13.428 1.00 0.00 C ATOM 981 C ILE A 60 2.475 -3.145 -13.122 1.00 0.00 C ATOM 982 O ILE A 60 3.175 -2.225 -13.543 1.00 0.00 O ATOM 983 CB ILE A 60 0.208 -2.559 -12.259 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.266 -2.969 -12.311 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.343 -1.044 -12.297 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.117 -2.297 -11.257 1.00 0.00 C ATOM 0 H ILE A 60 0.226 -5.064 -12.843 1.00 0.00 H new ATOM 0 HA ILE A 60 0.780 -2.631 -14.338 1.00 0.00 H new ATOM 0 HB ILE A 60 0.633 -2.919 -11.322 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.667 -2.731 -13.296 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.339 -4.050 -12.190 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.210 -0.608 -11.464 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.395 -0.770 -12.217 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.060 -0.666 -13.237 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.149 -2.634 -11.353 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.742 -2.556 -10.267 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.075 -1.216 -11.390 1.00 0.00 H new ATOM 998 N VAL A 61 2.957 -4.142 -12.385 1.00 0.00 N ATOM 999 CA VAL A 61 4.368 -4.213 -12.025 1.00 0.00 C ATOM 1000 C VAL A 61 4.921 -5.616 -12.242 1.00 0.00 C ATOM 1001 O VAL A 61 4.165 -6.580 -12.370 1.00 0.00 O ATOM 1002 CB VAL A 61 4.593 -3.806 -10.557 1.00 0.00 C ATOM 1003 CG1 VAL A 61 3.781 -2.566 -10.215 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.242 -4.957 -9.626 1.00 0.00 C ATOM 0 H VAL A 61 2.391 -4.911 -12.026 1.00 0.00 H new ATOM 0 HA VAL A 61 4.896 -3.514 -12.674 1.00 0.00 H new ATOM 0 HB VAL A 61 5.648 -3.568 -10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.953 -2.294 -9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.086 -1.742 -10.860 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.721 -2.772 -10.366 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.407 -4.652 -8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.195 -5.228 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.872 -5.816 -9.856 1.00 0.00 H new ATOM 1014 N ASP A 62 6.244 -5.725 -12.284 1.00 0.00 N ATOM 1015 CA ASP A 62 6.900 -7.012 -12.484 1.00 0.00 C ATOM 1016 C ASP A 62 8.297 -7.012 -11.872 1.00 0.00 C ATOM 1017 O ASP A 62 9.024 -6.023 -11.959 1.00 0.00 O ATOM 1018 CB ASP A 62 6.984 -7.339 -13.977 1.00 0.00 C ATOM 1019 CG ASP A 62 5.725 -6.951 -14.726 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.580 -5.758 -15.066 1.00 0.00 O ATOM 1021 OD2 ASP A 62 4.884 -7.841 -14.973 1.00 0.00 O ATOM 0 H ASP A 62 6.884 -4.937 -12.182 1.00 0.00 H new ATOM 0 HA ASP A 62 6.305 -7.776 -11.985 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.837 -6.819 -14.412 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.164 -8.407 -14.103 1.00 0.00 H new ATOM 1026 N VAL A 63 8.666 -8.127 -11.251 1.00 0.00 N ATOM 1027 CA VAL A 63 9.976 -8.256 -10.623 1.00 0.00 C ATOM 1028 C VAL A 63 11.071 -7.685 -11.517 1.00 0.00 C ATOM 1029 O VAL A 63 11.267 -8.137 -12.643 1.00 0.00 O ATOM 1030 CB VAL A 63 10.303 -9.727 -10.305 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.743 -9.863 -9.832 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.337 -10.275 -9.265 1.00 0.00 C ATOM 0 H VAL A 63 8.076 -8.955 -11.169 1.00 0.00 H new ATOM 0 HA VAL A 63 9.939 -7.691 -9.692 1.00 0.00 H new ATOM 0 HB VAL A 63 10.188 -10.312 -11.217 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.956 -10.909 -9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.417 -9.512 -10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.888 -9.266 -8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.583 -11.315 -9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.417 -9.689 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.318 -10.214 -9.647 1.00 0.00 H new ATOM 1042 N GLY A 64 11.785 -6.688 -11.003 1.00 0.00 N ATOM 1043 CA GLY A 64 12.854 -6.070 -11.768 1.00 0.00 C ATOM 1044 C GLY A 64 12.526 -4.648 -12.178 1.00 0.00 C ATOM 1045 O GLY A 64 13.413 -3.887 -12.565 1.00 0.00 O ATOM 0 H GLY A 64 11.643 -6.297 -10.072 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.769 -6.072 -11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.050 -6.666 -12.659 1.00 0.00 H new ATOM 1049 N ASP A 65 11.250 -4.289 -12.094 1.00 0.00 N ATOM 1050 CA ASP A 65 10.809 -2.948 -12.460 1.00 0.00 C ATOM 1051 C ASP A 65 10.923 -1.996 -11.274 1.00 0.00 C ATOM 1052 O ASP A 65 10.470 -2.303 -10.171 1.00 0.00 O ATOM 1053 CB ASP A 65 9.364 -2.984 -12.963 1.00 0.00 C ATOM 1054 CG ASP A 65 9.212 -3.808 -14.228 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.224 -4.005 -14.932 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.081 -4.255 -14.513 1.00 0.00 O ATOM 0 H ASP A 65 10.503 -4.907 -11.776 1.00 0.00 H new ATOM 0 HA ASP A 65 11.456 -2.584 -13.258 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.722 -3.396 -12.185 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.023 -1.966 -13.152 1.00 0.00 H new ATOM 1061 N LYS A 66 11.530 -0.838 -11.508 1.00 0.00 N ATOM 1062 CA LYS A 66 11.705 0.160 -10.460 1.00 0.00 C ATOM 1063 C LYS A 66 10.631 1.239 -10.552 1.00 0.00 C ATOM 1064 O LYS A 66 10.367 1.778 -11.627 1.00 0.00 O ATOM 1065 CB LYS A 66 13.092 0.799 -10.561 1.00 0.00 C ATOM 1066 CG LYS A 66 13.223 2.099 -9.786 1.00 0.00 C ATOM 1067 CD LYS A 66 14.627 2.670 -9.886 1.00 0.00 C ATOM 1068 CE LYS A 66 15.649 1.750 -9.236 1.00 0.00 C ATOM 1069 NZ LYS A 66 16.954 2.435 -9.022 1.00 0.00 N ATOM 0 H LYS A 66 11.909 -0.567 -12.415 1.00 0.00 H new ATOM 0 HA LYS A 66 11.612 -0.342 -9.497 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.836 0.091 -10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.320 0.987 -11.610 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.506 2.825 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.974 1.926 -8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.886 2.821 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.659 3.648 -9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.263 1.396 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.798 0.872 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.624 1.775 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.335 2.750 -9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.816 3.259 -8.402 1.00 0.00 H new ATOM 1083 N VAL A 67 10.012 1.550 -9.417 1.00 0.00 N ATOM 1084 CA VAL A 67 8.968 2.566 -9.369 1.00 0.00 C ATOM 1085 C VAL A 67 9.075 3.404 -8.100 1.00 0.00 C ATOM 1086 O VAL A 67 9.823 3.068 -7.183 1.00 0.00 O ATOM 1087 CB VAL A 67 7.565 1.933 -9.435 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.374 1.195 -10.752 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.346 0.998 -8.255 1.00 0.00 C ATOM 0 H VAL A 67 10.216 1.112 -8.519 1.00 0.00 H new ATOM 0 HA VAL A 67 9.111 3.208 -10.239 1.00 0.00 H new ATOM 0 HB VAL A 67 6.823 2.730 -9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.377 0.754 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.486 1.894 -11.581 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.122 0.407 -10.839 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.350 0.560 -8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.093 0.205 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.438 1.559 -7.325 1.00 0.00 H new ATOM 1099 N TRP A 68 8.321 4.497 -8.055 1.00 0.00 N ATOM 1100 CA TRP A 68 8.331 5.385 -6.897 1.00 0.00 C ATOM 1101 C TRP A 68 7.165 5.074 -5.965 1.00 0.00 C ATOM 1102 O TRP A 68 6.022 4.944 -6.404 1.00 0.00 O ATOM 1103 CB TRP A 68 8.265 6.844 -7.348 1.00 0.00 C ATOM 1104 CG TRP A 68 9.511 7.310 -8.038 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.720 7.391 -9.385 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.721 7.756 -7.415 1.00 0.00 C ATOM 1107 NE1 TRP A 68 10.987 7.861 -9.637 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.620 8.093 -8.445 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.130 7.905 -6.087 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 12.904 8.568 -8.186 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.403 8.377 -5.832 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.278 8.704 -6.877 1.00 0.00 C ATOM 0 H TRP A 68 7.696 4.790 -8.806 1.00 0.00 H new ATOM 0 HA TRP A 68 9.261 5.223 -6.352 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.417 6.971 -8.021 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.081 7.477 -6.480 1.00 0.00 H new ATOM 0 HD1 TRP A 68 8.996 7.125 -10.141 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.390 8.012 -10.562 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.463 7.656 -5.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.580 8.820 -8.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.730 8.496 -4.810 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.267 9.071 -6.644 1.00 0.00 H new ATOM 1123 N VAL A 69 7.460 4.960 -4.673 1.00 0.00 N ATOM 1124 CA VAL A 69 6.436 4.666 -3.678 1.00 0.00 C ATOM 1125 C VAL A 69 6.514 5.638 -2.507 1.00 0.00 C ATOM 1126 O VAL A 69 7.535 6.294 -2.296 1.00 0.00 O ATOM 1127 CB VAL A 69 6.566 3.227 -3.145 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.031 2.230 -4.162 1.00 0.00 C ATOM 1129 CG2 VAL A 69 8.014 2.918 -2.795 1.00 0.00 C ATOM 0 H VAL A 69 8.400 5.067 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 69 5.472 4.775 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 69 5.969 3.139 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.131 1.219 -3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.980 2.440 -4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.598 2.316 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.088 1.897 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.634 3.023 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.359 3.612 -2.029 1.00 0.00 H new ATOM 1139 N LYS A 70 5.428 5.728 -1.746 1.00 0.00 N ATOM 1140 CA LYS A 70 5.373 6.619 -0.593 1.00 0.00 C ATOM 1141 C LYS A 70 4.739 5.920 0.605 1.00 0.00 C ATOM 1142 O LYS A 70 3.636 5.378 0.510 1.00 0.00 O ATOM 1143 CB LYS A 70 4.580 7.882 -0.937 1.00 0.00 C ATOM 1144 CG LYS A 70 4.457 8.858 0.220 1.00 0.00 C ATOM 1145 CD LYS A 70 3.170 9.660 0.140 1.00 0.00 C ATOM 1146 CE LYS A 70 1.995 8.887 0.717 1.00 0.00 C ATOM 1147 NZ LYS A 70 0.808 9.761 0.933 1.00 0.00 N ATOM 0 H LYS A 70 4.574 5.194 -1.907 1.00 0.00 H new ATOM 0 HA LYS A 70 6.394 6.897 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.061 8.385 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.582 7.595 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.488 8.312 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.310 9.536 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.291 10.598 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.963 9.916 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.729 8.073 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.289 8.433 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.271 9.420 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.122 10.737 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.201 9.737 0.089 1.00 0.00 H new ATOM 1161 N LEU A 71 5.441 5.935 1.733 1.00 0.00 N ATOM 1162 CA LEU A 71 4.946 5.303 2.951 1.00 0.00 C ATOM 1163 C LEU A 71 3.634 5.939 3.400 1.00 0.00 C ATOM 1164 O LEU A 71 3.526 7.162 3.496 1.00 0.00 O ATOM 1165 CB LEU A 71 5.987 5.416 4.066 1.00 0.00 C ATOM 1166 CG LEU A 71 5.705 4.605 5.332 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.019 3.135 5.105 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.509 5.149 6.504 1.00 0.00 C ATOM 0 H LEU A 71 6.355 6.378 1.829 1.00 0.00 H new ATOM 0 HA LEU A 71 4.764 4.250 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.953 5.105 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.080 6.466 4.344 1.00 0.00 H new ATOM 0 HG LEU A 71 4.645 4.696 5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.812 2.574 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.399 2.752 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.071 3.024 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.296 4.560 7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.573 5.088 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.235 6.189 6.682 1.00 0.00 H new ATOM 1180 N ILE A 72 2.641 5.101 3.675 1.00 0.00 N ATOM 1181 CA ILE A 72 1.337 5.581 4.116 1.00 0.00 C ATOM 1182 C ILE A 72 1.097 5.248 5.585 1.00 0.00 C ATOM 1183 O ILE A 72 0.404 5.978 6.293 1.00 0.00 O ATOM 1184 CB ILE A 72 0.199 4.977 3.272 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.406 3.470 3.102 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.123 5.663 1.916 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.690 2.796 2.305 1.00 0.00 C ATOM 0 H ILE A 72 2.714 4.086 3.600 1.00 0.00 H new ATOM 0 HA ILE A 72 1.339 6.663 3.986 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.745 5.139 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.362 3.296 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.466 3.006 4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.686 5.225 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.066 6.727 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.067 5.529 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.478 1.730 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.646 2.939 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.736 3.233 1.308 1.00 0.00 H new ATOM 1199 N GLY A 73 1.677 4.141 6.038 1.00 0.00 N ATOM 1200 CA GLY A 73 1.516 3.731 7.420 1.00 0.00 C ATOM 1201 C GLY A 73 2.507 2.659 7.826 1.00 0.00 C ATOM 1202 O GLY A 73 2.792 1.742 7.054 1.00 0.00 O ATOM 0 H GLY A 73 2.256 3.521 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.637 4.598 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.502 3.360 7.570 1.00 0.00 H new ATOM 1206 N ARG A 74 3.035 2.772 9.040 1.00 0.00 N ATOM 1207 CA ARG A 74 4.003 1.806 9.546 1.00 0.00 C ATOM 1208 C ARG A 74 3.417 1.004 10.705 1.00 0.00 C ATOM 1209 O ARG A 74 2.972 1.572 11.701 1.00 0.00 O ATOM 1210 CB ARG A 74 5.279 2.519 10.000 1.00 0.00 C ATOM 1211 CG ARG A 74 5.848 3.469 8.959 1.00 0.00 C ATOM 1212 CD ARG A 74 6.789 4.485 9.587 1.00 0.00 C ATOM 1213 NE ARG A 74 7.985 3.855 10.141 1.00 0.00 N ATOM 1214 CZ ARG A 74 9.034 4.536 10.589 1.00 0.00 C ATOM 1215 NH1 ARG A 74 9.034 5.862 10.549 1.00 0.00 N ATOM 1216 NH2 ARG A 74 10.085 3.891 11.079 1.00 0.00 N ATOM 0 H ARG A 74 2.809 3.523 9.692 1.00 0.00 H new ATOM 0 HA ARG A 74 4.247 1.118 8.737 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.069 3.077 10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.033 1.773 10.250 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.381 2.899 8.198 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.033 3.989 8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.081 5.220 8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.265 5.025 10.376 1.00 0.00 H new ATOM 0 HE ARG A 74 8.016 2.836 10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.227 6.361 10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.841 6.383 10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.088 2.872 11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.890 4.415 11.423 1.00 0.00 H new ATOM 1230 N GLU A 75 3.420 -0.318 10.564 1.00 0.00 N ATOM 1231 CA GLU A 75 2.887 -1.196 11.598 1.00 0.00 C ATOM 1232 C GLU A 75 3.825 -2.374 11.848 1.00 0.00 C ATOM 1233 O GLU A 75 4.158 -3.120 10.929 1.00 0.00 O ATOM 1234 CB GLU A 75 1.501 -1.709 11.199 1.00 0.00 C ATOM 1235 CG GLU A 75 0.367 -0.794 11.629 1.00 0.00 C ATOM 1236 CD GLU A 75 0.122 -0.833 13.126 1.00 0.00 C ATOM 1237 OE1 GLU A 75 0.347 -1.899 13.735 1.00 0.00 O ATOM 1238 OE2 GLU A 75 -0.295 0.202 13.685 1.00 0.00 O ATOM 0 H GLU A 75 3.785 -0.803 9.745 1.00 0.00 H new ATOM 0 HA GLU A 75 2.802 -0.620 12.519 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.466 -1.833 10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.347 -2.695 11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.596 0.228 11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.546 -1.083 11.107 1.00 0.00 H new ATOM 1245 N MET A 76 4.246 -2.532 13.099 1.00 0.00 N ATOM 1246 CA MET A 76 5.144 -3.619 13.470 1.00 0.00 C ATOM 1247 C MET A 76 4.464 -4.579 14.442 1.00 0.00 C ATOM 1248 O MET A 76 3.759 -4.155 15.359 1.00 0.00 O ATOM 1249 CB MET A 76 6.422 -3.061 14.098 1.00 0.00 C ATOM 1250 CG MET A 76 6.186 -1.843 14.977 1.00 0.00 C ATOM 1251 SD MET A 76 6.277 -0.295 14.056 1.00 0.00 S ATOM 1252 CE MET A 76 8.014 0.104 14.234 1.00 0.00 C ATOM 0 H MET A 76 3.980 -1.922 13.872 1.00 0.00 H new ATOM 0 HA MET A 76 5.402 -4.168 12.565 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.896 -3.842 14.693 1.00 0.00 H new ATOM 0 HB3 MET A 76 7.121 -2.796 13.305 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.207 -1.924 15.448 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.925 -1.829 15.778 1.00 0.00 H new ATOM 0 HE1 MET A 76 8.227 1.039 13.716 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.256 0.211 15.291 1.00 0.00 H new ATOM 0 HE3 MET A 76 8.617 -0.695 13.803 1.00 0.00 H new ATOM 1262 N LYS A 77 4.679 -5.874 14.235 1.00 0.00 N ATOM 1263 CA LYS A 77 4.088 -6.894 15.094 1.00 0.00 C ATOM 1264 C LYS A 77 5.170 -7.705 15.799 1.00 0.00 C ATOM 1265 O LYS A 77 6.270 -7.877 15.276 1.00 0.00 O ATOM 1266 CB LYS A 77 3.193 -7.825 14.272 1.00 0.00 C ATOM 1267 CG LYS A 77 2.034 -8.406 15.061 1.00 0.00 C ATOM 1268 CD LYS A 77 0.906 -7.400 15.219 1.00 0.00 C ATOM 1269 CE LYS A 77 -0.295 -8.013 15.924 1.00 0.00 C ATOM 1270 NZ LYS A 77 0.043 -8.461 17.303 1.00 0.00 N ATOM 0 H LYS A 77 5.258 -6.242 13.480 1.00 0.00 H new ATOM 0 HA LYS A 77 3.484 -6.392 15.850 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.800 -7.276 13.416 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.798 -8.641 13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.660 -9.297 14.557 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.383 -8.720 16.045 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.262 -6.540 15.786 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.605 -7.033 14.238 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.103 -7.283 15.967 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.662 -8.861 15.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.829 -8.715 17.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.669 -9.290 17.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.526 -7.691 17.810 1.00 0.00 H new ATOM 1284 N ASN A 78 4.850 -8.201 16.990 1.00 0.00 N ATOM 1285 CA ASN A 78 5.795 -8.995 17.767 1.00 0.00 C ATOM 1286 C ASN A 78 6.232 -10.234 16.991 1.00 0.00 C ATOM 1287 O ASN A 78 7.201 -10.898 17.357 1.00 0.00 O ATOM 1288 CB ASN A 78 5.170 -9.408 19.101 1.00 0.00 C ATOM 1289 CG ASN A 78 6.205 -9.893 20.098 1.00 0.00 C ATOM 1290 OD1 ASN A 78 7.409 -9.749 19.881 1.00 0.00 O ATOM 1291 ND2 ASN A 78 5.739 -10.473 21.199 1.00 0.00 N ATOM 0 H ASN A 78 3.944 -8.067 17.438 1.00 0.00 H new ATOM 0 HA ASN A 78 6.675 -8.381 17.960 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.631 -8.561 19.524 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.438 -10.197 18.928 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.387 -10.820 21.906 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.733 -10.571 21.337 1.00 0.00 H new ATOM 1298 N ASP A 79 5.509 -10.539 15.919 1.00 0.00 N ATOM 1299 CA ASP A 79 5.822 -11.697 15.089 1.00 0.00 C ATOM 1300 C ASP A 79 6.566 -11.276 13.827 1.00 0.00 C ATOM 1301 O ASP A 79 7.363 -12.039 13.280 1.00 0.00 O ATOM 1302 CB ASP A 79 4.541 -12.444 14.717 1.00 0.00 C ATOM 1303 CG ASP A 79 4.117 -13.434 15.783 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.936 -14.304 16.145 1.00 0.00 O ATOM 1305 OD2 ASP A 79 2.965 -13.338 16.257 1.00 0.00 O ATOM 0 H ASP A 79 4.702 -10.000 15.604 1.00 0.00 H new ATOM 0 HA ASP A 79 6.467 -12.362 15.663 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.739 -11.724 14.554 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.692 -12.971 13.775 1.00 0.00 H new ATOM 1310 N ARG A 80 6.300 -10.056 13.367 1.00 0.00 N ATOM 1311 CA ARG A 80 6.943 -9.535 12.168 1.00 0.00 C ATOM 1312 C ARG A 80 6.534 -8.087 11.917 1.00 0.00 C ATOM 1313 O ARG A 80 5.489 -7.637 12.387 1.00 0.00 O ATOM 1314 CB ARG A 80 6.581 -10.395 10.954 1.00 0.00 C ATOM 1315 CG ARG A 80 5.148 -10.210 10.485 1.00 0.00 C ATOM 1316 CD ARG A 80 4.834 -11.100 9.291 1.00 0.00 C ATOM 1317 NE ARG A 80 3.404 -11.379 9.176 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.738 -12.158 10.021 1.00 0.00 C ATOM 1319 NH1 ARG A 80 3.367 -12.733 11.036 1.00 0.00 N ATOM 1320 NH2 ARG A 80 1.438 -12.363 9.850 1.00 0.00 N ATOM 0 H ARG A 80 5.644 -9.411 13.808 1.00 0.00 H new ATOM 0 HA ARG A 80 8.022 -9.569 12.321 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.257 -10.154 10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.741 -11.444 11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.464 -10.440 11.302 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.984 -9.167 10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.184 -10.618 8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.380 -12.039 9.385 1.00 0.00 H new ATOM 0 HE ARG A 80 2.890 -10.953 8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.366 -12.578 11.171 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.852 -13.330 11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.951 -11.922 9.070 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.926 -12.961 10.499 1.00 0.00 H new ATOM 1334 N ILE A 81 7.367 -7.361 11.178 1.00 0.00 N ATOM 1335 CA ILE A 81 7.092 -5.965 10.865 1.00 0.00 C ATOM 1336 C ILE A 81 6.440 -5.826 9.494 1.00 0.00 C ATOM 1337 O ILE A 81 6.882 -6.435 8.519 1.00 0.00 O ATOM 1338 CB ILE A 81 8.377 -5.117 10.899 1.00 0.00 C ATOM 1339 CG1 ILE A 81 8.944 -5.066 12.319 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.099 -3.712 10.384 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.034 -4.033 12.499 1.00 0.00 C ATOM 0 H ILE A 81 8.238 -7.717 10.785 1.00 0.00 H new ATOM 0 HA ILE A 81 6.405 -5.600 11.629 1.00 0.00 H new ATOM 0 HB ILE A 81 9.118 -5.582 10.248 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.134 -4.853 13.017 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.339 -6.048 12.579 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.017 -3.125 10.414 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.737 -3.766 9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.344 -3.237 11.011 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.388 -4.054 13.530 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.862 -4.257 11.826 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.638 -3.043 12.271 1.00 0.00 H new ATOM 1353 N LYS A 82 5.388 -5.018 9.424 1.00 0.00 N ATOM 1354 CA LYS A 82 4.675 -4.795 8.172 1.00 0.00 C ATOM 1355 C LYS A 82 4.664 -3.313 7.808 1.00 0.00 C ATOM 1356 O LYS A 82 4.303 -2.466 8.626 1.00 0.00 O ATOM 1357 CB LYS A 82 3.240 -5.316 8.278 1.00 0.00 C ATOM 1358 CG LYS A 82 3.103 -6.792 7.942 1.00 0.00 C ATOM 1359 CD LYS A 82 3.304 -7.663 9.170 1.00 0.00 C ATOM 1360 CE LYS A 82 2.035 -7.754 10.004 1.00 0.00 C ATOM 1361 NZ LYS A 82 1.067 -8.731 9.433 1.00 0.00 N ATOM 0 H LYS A 82 5.010 -4.506 10.221 1.00 0.00 H new ATOM 0 HA LYS A 82 5.195 -5.340 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.875 -5.147 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.602 -4.739 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.116 -6.980 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.834 -7.062 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.610 -8.663 8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.112 -7.255 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.290 -8.047 11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.567 -6.771 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.215 -8.765 10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.805 -8.437 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.504 -9.674 9.400 1.00 0.00 H new ATOM 1375 N VAL A 83 5.059 -3.007 6.577 1.00 0.00 N ATOM 1376 CA VAL A 83 5.092 -1.628 6.105 1.00 0.00 C ATOM 1377 C VAL A 83 4.159 -1.432 4.915 1.00 0.00 C ATOM 1378 O VAL A 83 4.195 -2.200 3.953 1.00 0.00 O ATOM 1379 CB VAL A 83 6.517 -1.207 5.702 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.498 0.151 5.015 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.430 -1.184 6.919 1.00 0.00 C ATOM 0 H VAL A 83 5.361 -3.696 5.888 1.00 0.00 H new ATOM 0 HA VAL A 83 4.757 -1.002 6.932 1.00 0.00 H new ATOM 0 HB VAL A 83 6.908 -1.940 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.514 0.432 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.879 0.097 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.088 0.897 5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.433 -0.884 6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.044 -0.473 7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.467 -2.178 7.365 1.00 0.00 H new ATOM 1391 N SER A 84 3.326 -0.400 4.986 1.00 0.00 N ATOM 1392 CA SER A 84 2.381 -0.104 3.915 1.00 0.00 C ATOM 1393 C SER A 84 2.935 0.969 2.984 1.00 0.00 C ATOM 1394 O SER A 84 3.385 2.025 3.431 1.00 0.00 O ATOM 1395 CB SER A 84 1.042 0.352 4.499 1.00 0.00 C ATOM 1396 OG SER A 84 0.308 -0.748 5.009 1.00 0.00 O ATOM 0 H SER A 84 3.286 0.246 5.774 1.00 0.00 H new ATOM 0 HA SER A 84 2.226 -1.016 3.338 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.216 1.077 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.459 0.857 3.729 1.00 0.00 H new ATOM 0 HG SER A 84 -0.543 -0.431 5.378 1.00 0.00 H new ATOM 1402 N LEU A 85 2.898 0.692 1.685 1.00 0.00 N ATOM 1403 CA LEU A 85 3.396 1.633 0.687 1.00 0.00 C ATOM 1404 C LEU A 85 2.330 1.927 -0.363 1.00 0.00 C ATOM 1405 O LEU A 85 1.451 1.105 -0.618 1.00 0.00 O ATOM 1406 CB LEU A 85 4.652 1.076 0.014 1.00 0.00 C ATOM 1407 CG LEU A 85 5.801 0.696 0.948 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.943 0.070 0.161 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.288 1.915 1.718 1.00 0.00 C ATOM 0 H LEU A 85 2.528 -0.176 1.298 1.00 0.00 H new ATOM 0 HA LEU A 85 3.646 2.565 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.371 0.194 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.018 1.817 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 85 5.434 -0.039 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.752 -0.194 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.587 -0.827 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.309 0.783 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.106 1.626 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.638 2.672 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.469 2.321 2.312 1.00 0.00 H new ATOM 1421 N SER A 86 2.415 3.107 -0.970 1.00 0.00 N ATOM 1422 CA SER A 86 1.457 3.510 -1.993 1.00 0.00 C ATOM 1423 C SER A 86 2.166 3.835 -3.305 1.00 0.00 C ATOM 1424 O SER A 86 3.337 4.213 -3.312 1.00 0.00 O ATOM 1425 CB SER A 86 0.656 4.725 -1.519 1.00 0.00 C ATOM 1426 OG SER A 86 -0.280 4.360 -0.520 1.00 0.00 O ATOM 0 H SER A 86 3.137 3.800 -0.771 1.00 0.00 H new ATOM 0 HA SER A 86 0.775 2.677 -2.166 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.335 5.482 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.134 5.173 -2.365 1.00 0.00 H new ATOM 0 HG SER A 86 -0.974 3.791 -0.914 1.00 0.00 H new ATOM 1432 N MET A 87 1.447 3.686 -4.412 1.00 0.00 N ATOM 1433 CA MET A 87 2.006 3.964 -5.729 1.00 0.00 C ATOM 1434 C MET A 87 1.129 4.950 -6.495 1.00 0.00 C ATOM 1435 O MET A 87 1.612 5.691 -7.351 1.00 0.00 O ATOM 1436 CB MET A 87 2.153 2.667 -6.528 1.00 0.00 C ATOM 1437 CG MET A 87 3.283 1.776 -6.038 1.00 0.00 C ATOM 1438 SD MET A 87 3.250 0.137 -6.790 1.00 0.00 S ATOM 1439 CE MET A 87 3.891 0.501 -8.422 1.00 0.00 C ATOM 0 H MET A 87 0.476 3.374 -4.423 1.00 0.00 H new ATOM 0 HA MET A 87 2.990 4.411 -5.591 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.216 2.112 -6.479 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.324 2.913 -7.576 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.238 2.253 -6.257 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.218 1.676 -4.955 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.566 -0.296 -8.734 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.065 0.574 -9.129 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.432 1.447 -8.398 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.163 4.952 -6.183 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.107 5.848 -6.839 1.00 0.00 C ATOM 1451 C LYS A 88 -0.991 7.264 -6.285 1.00 0.00 C ATOM 1452 O LYS A 88 -1.609 8.195 -6.799 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.538 5.334 -6.659 1.00 0.00 C ATOM 1454 CG LYS A 88 -3.118 5.622 -5.286 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.371 4.801 -5.027 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.672 4.697 -3.540 1.00 0.00 C ATOM 1457 NZ LYS A 88 -5.409 5.890 -3.039 1.00 0.00 N ATOM 0 H LYS A 88 -0.580 4.342 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.866 5.873 -7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.176 5.788 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.553 4.258 -6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.373 5.402 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.354 6.683 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.218 5.257 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.245 3.802 -5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.261 3.800 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.739 4.588 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.938 6.257 -2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.419 6.626 -3.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.386 5.621 -2.805 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.193 7.419 -5.233 1.00 0.00 N ATOM 1472 CA VAL A 89 0.007 8.722 -4.610 1.00 0.00 C ATOM 1473 C VAL A 89 1.409 9.253 -4.885 1.00 0.00 C ATOM 1474 O VAL A 89 1.901 10.132 -4.176 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.217 8.657 -3.088 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.656 8.277 -2.776 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.753 7.676 -2.449 1.00 0.00 C ATOM 0 H VAL A 89 0.326 6.658 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.727 9.398 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.028 9.645 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.795 8.236 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.329 9.022 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.876 7.301 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.581 7.643 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.598 6.684 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.776 7.998 -2.643 1.00 0.00 H new ATOM 1487 N VAL A 90 2.049 8.714 -5.918 1.00 0.00 N ATOM 1488 CA VAL A 90 3.395 9.136 -6.288 1.00 0.00 C ATOM 1489 C VAL A 90 3.570 9.146 -7.803 1.00 0.00 C ATOM 1490 O VAL A 90 3.025 8.298 -8.507 1.00 0.00 O ATOM 1491 CB VAL A 90 4.461 8.214 -5.666 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.854 8.779 -5.896 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.195 8.020 -4.181 1.00 0.00 C ATOM 0 H VAL A 90 1.657 7.984 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 90 3.528 10.147 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 90 4.404 7.240 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.594 8.115 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.040 8.863 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.927 9.765 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.957 7.366 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.224 8.986 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.212 7.569 -4.043 1.00 0.00 H new ATOM 1503 N ASN A 91 4.335 10.115 -8.297 1.00 0.00 N ATOM 1504 CA ASN A 91 4.583 10.237 -9.728 1.00 0.00 C ATOM 1505 C ASN A 91 5.595 9.195 -10.196 1.00 0.00 C ATOM 1506 O ASN A 91 6.712 9.128 -9.682 1.00 0.00 O ATOM 1507 CB ASN A 91 5.089 11.642 -10.061 1.00 0.00 C ATOM 1508 CG ASN A 91 4.866 12.008 -11.515 1.00 0.00 C ATOM 1509 OD1 ASN A 91 5.811 12.308 -12.245 1.00 0.00 O ATOM 1510 ND2 ASN A 91 3.608 11.985 -11.944 1.00 0.00 N ATOM 0 H ASN A 91 4.793 10.826 -7.727 1.00 0.00 H new ATOM 0 HA ASN A 91 3.642 10.064 -10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.582 12.368 -9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.153 11.706 -9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.395 12.222 -12.913 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.856 11.730 -11.304 1.00 0.00 H new ATOM 1517 N GLN A 92 5.196 8.388 -11.174 1.00 0.00 N ATOM 1518 CA GLN A 92 6.069 7.350 -11.710 1.00 0.00 C ATOM 1519 C GLN A 92 6.958 7.906 -12.818 1.00 0.00 C ATOM 1520 O GLN A 92 7.213 7.236 -13.818 1.00 0.00 O ATOM 1521 CB GLN A 92 5.238 6.182 -12.245 1.00 0.00 C ATOM 1522 CG GLN A 92 4.154 5.719 -11.286 1.00 0.00 C ATOM 1523 CD GLN A 92 4.715 5.173 -9.988 1.00 0.00 C ATOM 1524 OE1 GLN A 92 5.819 4.629 -9.957 1.00 0.00 O ATOM 1525 NE2 GLN A 92 3.956 5.316 -8.908 1.00 0.00 N ATOM 0 H GLN A 92 4.275 8.433 -11.611 1.00 0.00 H new ATOM 0 HA GLN A 92 6.707 6.993 -10.901 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.776 6.477 -13.187 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.901 5.345 -12.463 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.488 6.554 -11.067 1.00 0.00 H new ATOM 0 HG3 GLN A 92 3.552 4.949 -11.769 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.047 5.774 -8.980 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.282 4.968 -8.006 1.00 0.00 H new ATOM 1534 N GLY A 93 7.429 9.136 -12.632 1.00 0.00 N ATOM 1535 CA GLY A 93 8.284 9.761 -13.623 1.00 0.00 C ATOM 1536 C GLY A 93 9.288 10.714 -13.005 1.00 0.00 C ATOM 1537 O GLY A 93 10.411 10.848 -13.492 1.00 0.00 O ATOM 0 H GLY A 93 7.233 9.710 -11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.816 8.989 -14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.668 10.303 -14.340 1.00 0.00 H new ATOM 1541 N THR A 94 8.882 11.382 -11.929 1.00 0.00 N ATOM 1542 CA THR A 94 9.753 12.330 -11.245 1.00 0.00 C ATOM 1543 C THR A 94 9.872 11.996 -9.763 1.00 0.00 C ATOM 1544 O THR A 94 10.872 12.317 -9.122 1.00 0.00 O ATOM 1545 CB THR A 94 9.237 13.774 -11.395 1.00 0.00 C ATOM 1546 OG1 THR A 94 7.918 13.883 -10.849 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.222 14.194 -12.857 1.00 0.00 C ATOM 0 H THR A 94 7.956 11.284 -11.513 1.00 0.00 H new ATOM 0 HA THR A 94 10.735 12.252 -11.712 1.00 0.00 H new ATOM 0 HB THR A 94 9.911 14.435 -10.850 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.300 13.333 -11.375 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.854 15.217 -12.938 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.233 14.139 -13.262 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.569 13.528 -13.420 1.00 0.00 H new ATOM 1555 N GLY A 95 8.844 11.349 -9.222 1.00 0.00 N ATOM 1556 CA GLY A 95 8.854 10.982 -7.818 1.00 0.00 C ATOM 1557 C GLY A 95 8.349 12.097 -6.924 1.00 0.00 C ATOM 1558 O GLY A 95 8.749 12.202 -5.763 1.00 0.00 O ATOM 0 H GLY A 95 8.005 11.073 -9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.236 10.096 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.869 10.715 -7.523 1.00 0.00 H new ATOM 1562 N LYS A 96 7.469 12.932 -7.463 1.00 0.00 N ATOM 1563 CA LYS A 96 6.908 14.046 -6.708 1.00 0.00 C ATOM 1564 C LYS A 96 5.604 13.640 -6.027 1.00 0.00 C ATOM 1565 O LYS A 96 4.763 12.970 -6.627 1.00 0.00 O ATOM 1566 CB LYS A 96 6.663 15.243 -7.629 1.00 0.00 C ATOM 1567 CG LYS A 96 6.759 16.585 -6.923 1.00 0.00 C ATOM 1568 CD LYS A 96 8.179 17.125 -6.942 1.00 0.00 C ATOM 1569 CE LYS A 96 9.057 16.422 -5.918 1.00 0.00 C ATOM 1570 NZ LYS A 96 10.248 17.239 -5.556 1.00 0.00 N ATOM 0 H LYS A 96 7.128 12.859 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 96 7.627 14.329 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.387 15.218 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.674 15.148 -8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.091 17.299 -7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.423 16.479 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.605 16.997 -7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.165 18.195 -6.737 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.473 16.213 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.383 15.461 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.821 16.726 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.818 17.417 -6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.937 18.145 -5.152 1.00 0.00 H new ATOM 1584 N ASP A 97 5.444 14.050 -4.774 1.00 0.00 N ATOM 1585 CA ASP A 97 4.241 13.731 -4.013 1.00 0.00 C ATOM 1586 C ASP A 97 2.994 14.244 -4.726 1.00 0.00 C ATOM 1587 O ASP A 97 2.859 15.443 -4.977 1.00 0.00 O ATOM 1588 CB ASP A 97 4.325 14.333 -2.610 1.00 0.00 C ATOM 1589 CG ASP A 97 3.158 13.922 -1.732 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.015 13.904 -2.236 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.388 13.617 -0.544 1.00 0.00 O ATOM 0 H ASP A 97 6.132 14.604 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 97 4.170 12.646 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.257 14.021 -2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.354 15.420 -2.685 1.00 0.00 H new ATOM 1596 N LEU A 98 2.087 13.331 -5.052 1.00 0.00 N ATOM 1597 CA LEU A 98 0.851 13.691 -5.738 1.00 0.00 C ATOM 1598 C LEU A 98 -0.275 13.938 -4.739 1.00 0.00 C ATOM 1599 O LEU A 98 -1.317 14.494 -5.087 1.00 0.00 O ATOM 1600 CB LEU A 98 0.446 12.586 -6.716 1.00 0.00 C ATOM 1601 CG LEU A 98 1.528 12.128 -7.695 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.058 10.914 -8.481 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.908 13.261 -8.638 1.00 0.00 C ATOM 0 H LEU A 98 2.184 12.335 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 98 1.029 14.612 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.115 11.722 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.413 12.933 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 98 2.412 11.845 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.841 10.603 -9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.836 10.098 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.159 11.170 -9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.679 12.917 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.030 13.575 -9.203 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.288 14.104 -8.060 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.057 13.522 -3.496 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.052 13.701 -2.445 1.00 0.00 C ATOM 1617 C ASP A 99 -0.436 14.379 -1.225 1.00 0.00 C ATOM 1618 O ASP A 99 -0.158 13.746 -0.207 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.652 12.352 -2.046 1.00 0.00 C ATOM 1620 CG ASP A 99 -0.672 11.487 -1.279 1.00 0.00 C ATOM 1621 OD1 ASP A 99 0.550 11.650 -1.484 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -1.124 10.645 -0.475 1.00 0.00 O ATOM 0 H ASP A 99 0.799 13.059 -3.192 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.844 14.341 -2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.540 12.519 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.976 11.822 -2.942 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.217 15.698 -1.328 1.00 0.00 N ATOM 1628 CA PRO A 100 0.368 16.491 -0.242 1.00 0.00 C ATOM 1629 C PRO A 100 -0.581 16.642 0.942 1.00 0.00 C ATOM 1630 O PRO A 100 -0.253 17.292 1.934 1.00 0.00 O ATOM 1631 CB PRO A 100 0.627 17.850 -0.896 1.00 0.00 C ATOM 1632 CG PRO A 100 -0.354 17.927 -2.015 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.525 16.518 -2.513 1.00 0.00 C ATOM 0 HA PRO A 100 1.262 16.023 0.169 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.482 18.665 -0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.651 17.924 -1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.304 18.338 -1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.009 18.580 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.538 16.339 -2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.151 16.299 -3.340 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.760 16.037 0.831 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.757 16.104 1.893 1.00 0.00 C ATOM 1643 C ASN A 101 -2.803 14.798 2.680 1.00 0.00 C ATOM 1644 O ASN A 101 -3.015 14.798 3.891 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.137 16.410 1.307 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.060 17.292 0.076 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.607 16.860 -0.983 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -4.504 18.537 0.212 1.00 0.00 N ATOM 0 H ASN A 101 -2.048 15.495 0.016 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.473 16.907 2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.635 15.475 1.050 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.750 16.900 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.477 19.177 -0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.872 18.852 1.110 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.602 13.685 1.980 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.622 12.372 2.613 1.00 0.00 C ATOM 1657 C ASN A 102 -3.961 12.117 3.298 1.00 0.00 C ATOM 1658 O ASN A 102 -4.011 11.776 4.480 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.486 12.256 3.631 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.219 12.947 3.164 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.533 12.408 2.352 1.00 0.00 O ATOM 1662 ND2 ASN A 102 0.023 14.148 3.677 1.00 0.00 N ATOM 0 H ASN A 102 -2.424 13.667 0.976 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.483 11.621 1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.805 12.690 4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.275 11.203 3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.860 14.661 3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.628 14.557 4.347 1.00 0.00 H new ATOM 1669 N VAL A 103 -5.045 12.285 2.547 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.385 12.072 3.081 1.00 0.00 C ATOM 1671 C VAL A 103 -7.046 10.857 2.439 1.00 0.00 C ATOM 1672 O VAL A 103 -8.029 10.326 2.957 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.280 13.306 2.860 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -8.692 13.038 3.358 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -6.686 14.525 3.551 1.00 0.00 C ATOM 0 H VAL A 103 -5.021 12.568 1.567 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.275 11.899 4.152 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.330 13.510 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.310 13.921 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.115 12.193 2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.665 12.808 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.331 15.388 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.605 14.333 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.696 14.728 3.143 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.501 10.423 1.308 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.036 9.269 0.596 1.00 0.00 C ATOM 1687 C ILE A 104 -6.510 7.966 1.187 1.00 0.00 C ATOM 1688 O ILE A 104 -7.279 7.045 1.464 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.683 9.320 -0.903 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.356 10.523 -1.567 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.101 8.028 -1.588 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.536 11.792 -1.490 1.00 0.00 C ATOM 0 H ILE A 104 -5.689 10.853 0.865 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.120 9.304 0.707 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.603 9.430 -1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.551 10.289 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.323 10.695 -1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.846 8.078 -2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.581 7.188 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.177 7.891 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.074 12.603 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.363 12.051 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.579 11.638 -1.989 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.197 7.896 1.378 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.569 6.706 1.938 1.00 0.00 C ATOM 1706 C ILE A 105 -5.283 6.255 3.209 1.00 0.00 C ATOM 1707 O ILE A 105 -5.258 5.076 3.560 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.083 6.952 2.258 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -2.943 7.953 3.406 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.351 7.450 1.020 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -2.941 7.308 4.774 1.00 0.00 C ATOM 0 H ILE A 105 -4.547 8.650 1.153 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.645 5.923 1.183 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.633 6.009 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.018 8.514 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.761 8.671 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.302 7.620 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.425 6.704 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.801 8.384 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.838 8.078 5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.877 6.770 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.106 6.611 4.846 1.00 0.00 H new ATOM 1723 N GLU A 106 -5.919 7.202 3.891 1.00 0.00 N ATOM 1724 CA GLU A 106 -6.641 6.900 5.122 1.00 0.00 C ATOM 1725 C GLU A 106 -7.962 6.199 4.821 1.00 0.00 C ATOM 1726 O GLU A 106 -8.264 5.150 5.389 1.00 0.00 O ATOM 1727 CB GLU A 106 -6.901 8.183 5.914 1.00 0.00 C ATOM 1728 CG GLU A 106 -7.348 7.936 7.345 1.00 0.00 C ATOM 1729 CD GLU A 106 -7.701 9.217 8.076 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -6.893 10.168 8.029 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -8.785 9.268 8.695 1.00 0.00 O ATOM 0 H GLU A 106 -5.949 8.183 3.613 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.023 6.230 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.991 8.783 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.663 8.769 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.214 7.274 7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.554 7.421 7.886 1.00 0.00 H new