USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=21 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 70 LYS NZ :NH3+ 176:sc= -0.74 (180deg=-0.76) USER MOD Set 1.2: A 102 ASN : amide:sc= -1.74! K(o=-2.5!,f=-3.3) USER MOD Set 2.1: A 48 HIS : no HD1:sc= -2.16! C(o=-1.4!,f=-4.7!) USER MOD Set 2.2: A 86 SER OG : rot 89:sc= 0.759 USER MOD Set 3.1: A 45 HIS : no HD1:sc= 0.268 K(o=0.76,f=-1.2) USER MOD Set 3.2: A 47 THR OG1 : rot -97:sc= 0.493 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -110:sc= -1.68 USER MOD Single : A 20 GLN :FLIP amide:sc= -10.6! C(o=-12!,f=-11!) USER MOD Single : A 25 MET CE :methyl 163:sc= 0 (180deg=-0.209) USER MOD Single : A 27 THR OG1 : rot 136:sc= 0.685 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 139:sc= -0.745 USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= 0.058 (180deg=-0.344) USER MOD Single : A 41 GLN : amide:sc= -2.92! C(o=-2.9!,f=-2.7!) USER MOD Single : A 49 MET CE :methyl 173:sc= -1.1 (180deg=-1.15) USER MOD Single : A 50 SER OG : rot -146:sc= 0.00283 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+ -155:sc= -0.0914 (180deg=-0.876) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -124:sc= -0.602 (180deg=-2.53!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc=-0.000335 X(o=-0.00034,f=-0.13) 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 156:sc= -1.46 (180deg=-3.84!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.731 K(o=0.73,f=-7.6!) USER MOD Single : A 92 GLN : amide:sc= -2.3! C(o=-2.3!,f=-8.5!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 15.074 2.147 7.724 1.00 0.00 N ATOM 229 CA LEU A 12 13.886 2.443 6.930 1.00 0.00 C ATOM 230 C LEU A 12 13.587 3.939 6.935 1.00 0.00 C ATOM 231 O LEU A 12 13.986 4.674 7.839 1.00 0.00 O ATOM 232 CB LEU A 12 12.682 1.669 7.469 1.00 0.00 C ATOM 233 CG LEU A 12 12.613 0.188 7.094 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.666 -0.555 8.023 1.00 0.00 C ATOM 235 CD2 LEU A 12 12.178 0.026 5.645 1.00 0.00 C ATOM 0 HA LEU A 12 14.079 2.133 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.682 1.748 8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.774 2.156 7.114 1.00 0.00 H new ATOM 0 HG LEU A 12 13.608 -0.242 7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.630 -1.607 7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 12 12.020 -0.467 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.668 -0.124 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.134 -1.034 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.193 0.472 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.895 0.524 4.992 1.00 0.00 H new ATOM 247 N PRO A 13 12.867 4.402 5.903 1.00 0.00 N ATOM 248 CA PRO A 13 12.496 5.814 5.767 1.00 0.00 C ATOM 249 C PRO A 13 11.467 6.245 6.806 1.00 0.00 C ATOM 250 O PRO A 13 11.052 5.451 7.651 1.00 0.00 O ATOM 251 CB PRO A 13 11.897 5.889 4.359 1.00 0.00 C ATOM 252 CG PRO A 13 11.409 4.509 4.081 1.00 0.00 C ATOM 253 CD PRO A 13 12.358 3.582 4.790 1.00 0.00 C ATOM 0 HA PRO A 13 13.348 6.476 5.919 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.084 6.613 4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.643 6.200 3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.390 4.375 4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.395 4.309 3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.852 2.686 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.163 3.251 4.133 1.00 0.00 H new ATOM 261 N ALA A 14 11.057 7.508 6.738 1.00 0.00 N ATOM 262 CA ALA A 14 10.074 8.044 7.672 1.00 0.00 C ATOM 263 C ALA A 14 8.667 7.975 7.087 1.00 0.00 C ATOM 264 O ALA A 14 8.485 7.621 5.922 1.00 0.00 O ATOM 265 CB ALA A 14 10.425 9.478 8.041 1.00 0.00 C ATOM 0 H ALA A 14 11.391 8.179 6.046 1.00 0.00 H new ATOM 0 HA ALA A 14 10.094 7.433 8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.683 9.866 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.410 9.503 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.434 10.093 7.141 1.00 0.00 H new ATOM 271 N LEU A 15 7.676 8.314 7.904 1.00 0.00 N ATOM 272 CA LEU A 15 6.285 8.291 7.469 1.00 0.00 C ATOM 273 C LEU A 15 6.051 9.287 6.337 1.00 0.00 C ATOM 274 O LEU A 15 6.694 10.334 6.276 1.00 0.00 O ATOM 275 CB LEU A 15 5.357 8.608 8.642 1.00 0.00 C ATOM 276 CG LEU A 15 3.862 8.402 8.392 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.593 6.985 7.908 1.00 0.00 C ATOM 278 CD2 LEU A 15 3.064 8.698 9.653 1.00 0.00 C ATOM 0 H LEU A 15 7.810 8.608 8.871 1.00 0.00 H new ATOM 0 HA LEU A 15 6.063 7.290 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.652 7.989 9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.516 9.646 8.935 1.00 0.00 H new ATOM 0 HG LEU A 15 3.544 9.096 7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.525 6.856 7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.135 6.809 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.927 6.273 8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.003 8.546 9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.384 8.029 10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.232 9.731 9.956 1.00 0.00 H new ATOM 290 N TYR A 16 5.125 8.954 5.445 1.00 0.00 N ATOM 291 CA TYR A 16 4.806 9.818 4.315 1.00 0.00 C ATOM 292 C TYR A 16 6.067 10.192 3.541 1.00 0.00 C ATOM 293 O TYR A 16 6.127 11.237 2.894 1.00 0.00 O ATOM 294 CB TYR A 16 4.098 11.085 4.799 1.00 0.00 C ATOM 295 CG TYR A 16 2.778 10.816 5.486 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.905 9.848 5.002 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.403 11.529 6.617 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.698 9.599 5.625 1.00 0.00 C ATOM 299 CE2 TYR A 16 1.198 11.286 7.249 1.00 0.00 C ATOM 300 CZ TYR A 16 0.349 10.320 6.749 1.00 0.00 C ATOM 301 OH TYR A 16 -0.852 10.076 7.374 1.00 0.00 O ATOM 0 H TYR A 16 4.582 8.091 5.483 1.00 0.00 H new ATOM 0 HA TYR A 16 4.141 9.269 3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.754 11.618 5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.927 11.744 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.176 9.281 4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.065 12.287 7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.031 8.844 5.235 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.923 11.849 8.129 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.943 10.668 8.150 1.00 0.00 H new ATOM 311 N THR A 17 7.075 9.328 3.613 1.00 0.00 N ATOM 312 CA THR A 17 8.336 9.564 2.921 1.00 0.00 C ATOM 313 C THR A 17 8.316 8.959 1.522 1.00 0.00 C ATOM 314 O THR A 17 7.834 7.844 1.325 1.00 0.00 O ATOM 315 CB THR A 17 9.525 8.979 3.706 1.00 0.00 C ATOM 316 OG1 THR A 17 9.640 9.628 4.976 1.00 0.00 O ATOM 317 CG2 THR A 17 10.821 9.146 2.926 1.00 0.00 C ATOM 0 H THR A 17 7.042 8.458 4.144 1.00 0.00 H new ATOM 0 HA THR A 17 8.458 10.644 2.844 1.00 0.00 H new ATOM 0 HB THR A 17 9.344 7.915 3.858 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.443 10.190 4.985 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.647 8.726 3.499 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.741 8.626 1.971 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.005 10.206 2.748 1.00 0.00 H new ATOM 325 N ILE A 18 8.846 9.700 0.555 1.00 0.00 N ATOM 326 CA ILE A 18 8.891 9.235 -0.825 1.00 0.00 C ATOM 327 C ILE A 18 10.284 8.734 -1.191 1.00 0.00 C ATOM 328 O ILE A 18 11.289 9.359 -0.852 1.00 0.00 O ATOM 329 CB ILE A 18 8.484 10.348 -1.809 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.983 10.627 -1.704 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.858 9.961 -3.232 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.558 11.909 -2.384 1.00 0.00 C ATOM 0 H ILE A 18 9.250 10.625 0.702 1.00 0.00 H new ATOM 0 HA ILE A 18 8.179 8.414 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 18 9.023 11.258 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.435 9.793 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.703 10.673 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.564 10.758 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.935 9.807 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.343 9.040 -3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.482 12.042 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.079 12.752 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.806 11.858 -3.444 1.00 0.00 H new ATOM 344 N PHE A 19 10.336 7.602 -1.888 1.00 0.00 N ATOM 345 CA PHE A 19 11.607 7.018 -2.300 1.00 0.00 C ATOM 346 C PHE A 19 11.422 6.125 -3.523 1.00 0.00 C ATOM 347 O PHE A 19 10.295 5.831 -3.925 1.00 0.00 O ATOM 348 CB PHE A 19 12.218 6.211 -1.153 1.00 0.00 C ATOM 349 CG PHE A 19 11.288 5.175 -0.588 1.00 0.00 C ATOM 350 CD1 PHE A 19 10.999 4.022 -1.300 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.706 5.354 0.657 1.00 0.00 C ATOM 352 CE1 PHE A 19 10.145 3.067 -0.782 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.851 4.403 1.179 1.00 0.00 C ATOM 354 CZ PHE A 19 9.569 3.258 0.459 1.00 0.00 C ATOM 0 H PHE A 19 9.514 7.073 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 19 12.284 7.831 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.124 5.720 -1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.516 6.894 -0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.446 3.868 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.923 6.246 1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.928 2.172 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.403 4.554 2.150 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.900 2.514 0.865 1.00 0.00 H new ATOM 364 N GLN A 20 12.535 5.697 -4.110 1.00 0.00 N ATOM 365 CA GLN A 20 12.496 4.837 -5.288 1.00 0.00 C ATOM 366 C GLN A 20 12.903 3.411 -4.936 1.00 0.00 C ATOM 367 O GLN A 20 13.969 3.182 -4.366 1.00 0.00 O ATOM 368 CB GLN A 20 13.416 5.389 -6.378 1.00 0.00 C ATOM 369 CG GLN A 20 12.954 5.058 -7.789 1.00 0.00 C ATOM 370 CD GLN A 20 13.604 5.941 -8.837 1.00 0.00 C ATOM 371 OE1 GLN A 20 12.914 6.139 -9.954 1.00 0.00 O flip ATOM 372 NE2 GLN A 20 14.714 6.440 -8.644 1.00 0.00 N flip ATOM 0 H GLN A 20 13.475 5.931 -3.790 1.00 0.00 H new ATOM 0 HA GLN A 20 11.472 4.820 -5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.483 6.472 -6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.420 4.991 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.181 4.014 -8.007 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.871 5.167 -7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.209 6.261 -7.770 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.138 7.032 -9.358 1.00 0.00 H new ATOM 381 N GLY A 21 12.046 2.454 -5.278 1.00 0.00 N ATOM 382 CA GLY A 21 12.335 1.061 -4.990 1.00 0.00 C ATOM 383 C GLY A 21 12.073 0.156 -6.178 1.00 0.00 C ATOM 384 O GLY A 21 11.399 0.550 -7.128 1.00 0.00 O ATOM 0 H GLY A 21 11.157 2.618 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.378 0.965 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.727 0.734 -4.147 1.00 0.00 H new ATOM 388 N GLU A 22 12.609 -1.059 -6.123 1.00 0.00 N ATOM 389 CA GLU A 22 12.430 -2.021 -7.204 1.00 0.00 C ATOM 390 C GLU A 22 11.539 -3.177 -6.763 1.00 0.00 C ATOM 391 O GLU A 22 11.711 -3.728 -5.675 1.00 0.00 O ATOM 392 CB GLU A 22 13.786 -2.556 -7.669 1.00 0.00 C ATOM 393 CG GLU A 22 13.680 -3.686 -8.680 1.00 0.00 C ATOM 394 CD GLU A 22 15.003 -4.393 -8.906 1.00 0.00 C ATOM 395 OE1 GLU A 22 16.012 -3.700 -9.149 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.027 -5.640 -8.839 1.00 0.00 O ATOM 0 H GLU A 22 13.170 -1.400 -5.342 1.00 0.00 H new ATOM 0 HA GLU A 22 11.945 -1.509 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.358 -1.739 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.346 -2.907 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.940 -4.409 -8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.319 -3.288 -9.628 1.00 0.00 H new ATOM 403 N VAL A 23 10.585 -3.541 -7.613 1.00 0.00 N ATOM 404 CA VAL A 23 9.666 -4.633 -7.312 1.00 0.00 C ATOM 405 C VAL A 23 10.407 -5.960 -7.201 1.00 0.00 C ATOM 406 O VAL A 23 11.164 -6.336 -8.095 1.00 0.00 O ATOM 407 CB VAL A 23 8.570 -4.757 -8.387 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.808 -6.064 -8.225 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.625 -3.567 -8.325 1.00 0.00 C ATOM 0 H VAL A 23 10.428 -3.095 -8.517 1.00 0.00 H new ATOM 0 HA VAL A 23 9.200 -4.400 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 23 9.046 -4.762 -9.367 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.038 -6.134 -8.993 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.498 -6.902 -8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.342 -6.094 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.857 -3.672 -9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.154 -3.527 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.186 -2.648 -8.496 1.00 0.00 H new ATOM 419 N ALA A 24 10.184 -6.666 -6.098 1.00 0.00 N ATOM 420 CA ALA A 24 10.829 -7.954 -5.871 1.00 0.00 C ATOM 421 C ALA A 24 9.810 -9.089 -5.893 1.00 0.00 C ATOM 422 O ALA A 24 10.162 -10.245 -6.121 1.00 0.00 O ATOM 423 CB ALA A 24 11.580 -7.942 -4.547 1.00 0.00 C ATOM 0 H ALA A 24 9.561 -6.368 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 24 11.541 -8.124 -6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.057 -8.910 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.341 -7.162 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.881 -7.746 -3.734 1.00 0.00 H new ATOM 429 N MET A 25 8.548 -8.749 -5.655 1.00 0.00 N ATOM 430 CA MET A 25 7.478 -9.742 -5.649 1.00 0.00 C ATOM 431 C MET A 25 6.169 -9.133 -6.137 1.00 0.00 C ATOM 432 O MET A 25 5.847 -7.988 -5.817 1.00 0.00 O ATOM 433 CB MET A 25 7.294 -10.316 -4.242 1.00 0.00 C ATOM 434 CG MET A 25 6.368 -11.520 -4.194 1.00 0.00 C ATOM 435 SD MET A 25 6.438 -12.388 -2.615 1.00 0.00 S ATOM 436 CE MET A 25 4.988 -13.431 -2.737 1.00 0.00 C ATOM 0 H MET A 25 8.240 -7.795 -5.464 1.00 0.00 H new ATOM 0 HA MET A 25 7.759 -10.547 -6.328 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.268 -10.601 -3.844 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.899 -9.537 -3.590 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.345 -11.194 -4.380 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.633 -12.210 -4.995 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.052 -14.230 -1.999 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.095 -12.835 -2.550 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.934 -13.863 -3.736 1.00 0.00 H new ATOM 446 N VAL A 26 5.415 -9.904 -6.915 1.00 0.00 N ATOM 447 CA VAL A 26 4.140 -9.440 -7.447 1.00 0.00 C ATOM 448 C VAL A 26 3.007 -10.385 -7.062 1.00 0.00 C ATOM 449 O VAL A 26 3.064 -11.584 -7.336 1.00 0.00 O ATOM 450 CB VAL A 26 4.185 -9.310 -8.981 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.857 -8.795 -9.513 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.328 -8.399 -9.405 1.00 0.00 C ATOM 0 H VAL A 26 5.666 -10.853 -7.191 1.00 0.00 H new ATOM 0 HA VAL A 26 3.955 -8.458 -7.012 1.00 0.00 H new ATOM 0 HB VAL A 26 4.361 -10.298 -9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.908 -8.710 -10.598 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.062 -9.489 -9.241 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.647 -7.816 -9.082 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.345 -8.318 -10.492 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.185 -7.410 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.273 -8.815 -9.057 1.00 0.00 H new ATOM 462 N THR A 27 1.979 -9.837 -6.423 1.00 0.00 N ATOM 463 CA THR A 27 0.832 -10.630 -5.998 1.00 0.00 C ATOM 464 C THR A 27 -0.473 -10.014 -6.486 1.00 0.00 C ATOM 465 O THR A 27 -0.519 -8.840 -6.851 1.00 0.00 O ATOM 466 CB THR A 27 0.780 -10.766 -4.465 1.00 0.00 C ATOM 467 OG1 THR A 27 0.487 -9.497 -3.870 1.00 0.00 O ATOM 468 CG2 THR A 27 2.101 -11.293 -3.923 1.00 0.00 C ATOM 0 H THR A 27 1.917 -8.846 -6.188 1.00 0.00 H new ATOM 0 HA THR A 27 0.951 -11.619 -6.439 1.00 0.00 H new ATOM 0 HB THR A 27 -0.008 -11.476 -4.212 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.177 -9.615 -3.159 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.040 -11.381 -2.838 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.307 -12.272 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.903 -10.604 -4.187 1.00 0.00 H new ATOM 476 N ASP A 28 -1.534 -10.814 -6.490 1.00 0.00 N ATOM 477 CA ASP A 28 -2.843 -10.346 -6.933 1.00 0.00 C ATOM 478 C ASP A 28 -3.462 -9.409 -5.901 1.00 0.00 C ATOM 479 O ASP A 28 -4.558 -8.885 -6.102 1.00 0.00 O ATOM 480 CB ASP A 28 -3.774 -11.534 -7.184 1.00 0.00 C ATOM 481 CG ASP A 28 -5.238 -11.160 -7.056 1.00 0.00 C ATOM 482 OD1 ASP A 28 -5.738 -10.415 -7.925 1.00 0.00 O ATOM 483 OD2 ASP A 28 -5.883 -11.612 -6.087 1.00 0.00 O ATOM 0 H ASP A 28 -1.514 -11.789 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.709 -9.795 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.590 -11.932 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.542 -12.330 -6.476 1.00 0.00 H new ATOM 488 N TYR A 29 -2.754 -9.202 -4.797 1.00 0.00 N ATOM 489 CA TYR A 29 -3.236 -8.330 -3.732 1.00 0.00 C ATOM 490 C TYR A 29 -2.253 -7.191 -3.474 1.00 0.00 C ATOM 491 O TYR A 29 -2.407 -6.426 -2.523 1.00 0.00 O ATOM 492 CB TYR A 29 -3.453 -9.130 -2.448 1.00 0.00 C ATOM 493 CG TYR A 29 -2.259 -9.964 -2.043 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.095 -9.365 -1.576 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.294 -11.351 -2.127 1.00 0.00 C ATOM 496 CE1 TYR A 29 0.000 -10.123 -1.207 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.204 -12.116 -1.758 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.060 -11.498 -1.299 1.00 0.00 C ATOM 499 OH TYR A 29 1.027 -12.256 -0.931 1.00 0.00 O ATOM 0 H TYR A 29 -1.844 -9.626 -4.616 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.186 -7.902 -4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.696 -8.442 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.315 -9.785 -2.579 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.045 -8.289 -1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.188 -11.839 -2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.898 -9.641 -0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.248 -13.193 -1.829 1.00 0.00 H new ATOM 0 HH TYR A 29 0.821 -13.206 -1.055 1.00 0.00 H new ATOM 509 N GLY A 30 -1.241 -7.086 -4.331 1.00 0.00 N ATOM 510 CA GLY A 30 -0.248 -6.038 -4.180 1.00 0.00 C ATOM 511 C GLY A 30 1.116 -6.455 -4.693 1.00 0.00 C ATOM 512 O GLY A 30 1.242 -7.457 -5.398 1.00 0.00 O ATOM 0 H GLY A 30 -1.091 -7.707 -5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.578 -5.148 -4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.169 -5.765 -3.128 1.00 0.00 H new ATOM 516 N ALA A 31 2.140 -5.684 -4.341 1.00 0.00 N ATOM 517 CA ALA A 31 3.502 -5.979 -4.771 1.00 0.00 C ATOM 518 C ALA A 31 4.516 -5.527 -3.727 1.00 0.00 C ATOM 519 O ALA A 31 4.294 -4.549 -3.013 1.00 0.00 O ATOM 520 CB ALA A 31 3.787 -5.315 -6.110 1.00 0.00 C ATOM 0 H ALA A 31 2.052 -4.851 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 31 3.596 -7.059 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.807 -5.543 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.088 -5.690 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.670 -4.236 -6.013 1.00 0.00 H new ATOM 526 N PHE A 32 5.631 -6.246 -3.643 1.00 0.00 N ATOM 527 CA PHE A 32 6.680 -5.919 -2.684 1.00 0.00 C ATOM 528 C PHE A 32 7.742 -5.028 -3.322 1.00 0.00 C ATOM 529 O PHE A 32 8.167 -5.263 -4.454 1.00 0.00 O ATOM 530 CB PHE A 32 7.327 -7.199 -2.149 1.00 0.00 C ATOM 531 CG PHE A 32 6.387 -8.058 -1.352 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.323 -8.698 -1.966 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.567 -8.224 0.011 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.457 -9.489 -1.237 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.704 -9.014 0.747 1.00 0.00 C ATOM 536 CZ PHE A 32 4.647 -9.647 0.122 1.00 0.00 C ATOM 0 H PHE A 32 5.831 -7.058 -4.227 1.00 0.00 H new ATOM 0 HA PHE A 32 6.225 -5.376 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.714 -7.779 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.180 -6.932 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.169 -8.577 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.391 -7.731 0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.632 -9.983 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.856 -9.136 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.971 -10.264 0.695 1.00 0.00 H new ATOM 546 N ILE A 33 8.165 -4.003 -2.588 1.00 0.00 N ATOM 547 CA ILE A 33 9.176 -3.077 -3.082 1.00 0.00 C ATOM 548 C ILE A 33 10.372 -3.015 -2.138 1.00 0.00 C ATOM 549 O ILE A 33 10.212 -2.951 -0.918 1.00 0.00 O ATOM 550 CB ILE A 33 8.602 -1.659 -3.259 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.316 -1.705 -4.087 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.629 -0.751 -3.916 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.548 -2.026 -5.547 1.00 0.00 C ATOM 0 H ILE A 33 7.823 -3.794 -1.650 1.00 0.00 H new ATOM 0 HA ILE A 33 9.501 -3.452 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 33 8.364 -1.254 -2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.646 -2.452 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.810 -0.743 -4.011 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.209 0.248 -4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.520 -0.698 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.895 -1.151 -4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.593 -2.042 -6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.193 -1.266 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.026 -3.002 -5.634 1.00 0.00 H new ATOM 565 N LYS A 34 11.571 -3.035 -2.709 1.00 0.00 N ATOM 566 CA LYS A 34 12.795 -2.977 -1.920 1.00 0.00 C ATOM 567 C LYS A 34 13.299 -1.542 -1.799 1.00 0.00 C ATOM 568 O LYS A 34 13.577 -0.886 -2.804 1.00 0.00 O ATOM 569 CB LYS A 34 13.877 -3.856 -2.554 1.00 0.00 C ATOM 570 CG LYS A 34 13.544 -5.338 -2.535 1.00 0.00 C ATOM 571 CD LYS A 34 14.799 -6.191 -2.598 1.00 0.00 C ATOM 572 CE LYS A 34 14.486 -7.662 -2.371 1.00 0.00 C ATOM 573 NZ LYS A 34 15.722 -8.489 -2.302 1.00 0.00 N ATOM 0 H LYS A 34 11.721 -3.091 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 34 12.570 -3.350 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.032 -3.540 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.818 -3.697 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.987 -5.575 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.897 -5.578 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.277 -6.065 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.510 -5.849 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.922 -7.774 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.850 -8.026 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.465 -9.485 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.248 -8.402 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.318 -8.158 -1.516 1.00 0.00 H new ATOM 587 N ILE A 35 13.415 -1.063 -0.566 1.00 0.00 N ATOM 588 CA ILE A 35 13.887 0.293 -0.314 1.00 0.00 C ATOM 589 C ILE A 35 15.410 0.360 -0.349 1.00 0.00 C ATOM 590 O ILE A 35 16.107 -0.509 0.176 1.00 0.00 O ATOM 591 CB ILE A 35 13.392 0.819 1.046 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.863 0.821 1.091 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.938 2.215 1.304 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.299 0.893 2.493 1.00 0.00 C ATOM 0 H ILE A 35 13.189 -1.594 0.275 1.00 0.00 H new ATOM 0 HA ILE A 35 13.479 0.921 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 35 13.758 0.157 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.492 1.669 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.492 -0.081 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.579 2.573 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 35 15.028 2.184 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.599 2.889 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.210 0.890 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.640 0.032 3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.640 1.809 2.976 1.00 0.00 H new ATOM 606 N PRO A 36 15.942 1.417 -0.981 1.00 0.00 N ATOM 607 CA PRO A 36 17.388 1.625 -1.097 1.00 0.00 C ATOM 608 C PRO A 36 18.033 1.975 0.239 1.00 0.00 C ATOM 609 O PRO A 36 17.685 2.977 0.863 1.00 0.00 O ATOM 610 CB PRO A 36 17.501 2.801 -2.070 1.00 0.00 C ATOM 611 CG PRO A 36 16.212 3.536 -1.928 1.00 0.00 C ATOM 612 CD PRO A 36 15.171 2.492 -1.630 1.00 0.00 C ATOM 0 HA PRO A 36 17.903 0.725 -1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 36 18.350 3.439 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.649 2.455 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.268 4.271 -1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.970 4.079 -2.841 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.390 2.878 -0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.681 2.143 -2.539 1.00 0.00 H new ATOM 620 N GLY A 37 18.975 1.144 0.673 1.00 0.00 N ATOM 621 CA GLY A 37 19.654 1.384 1.933 1.00 0.00 C ATOM 622 C GLY A 37 18.803 1.009 3.130 1.00 0.00 C ATOM 623 O GLY A 37 18.772 1.730 4.128 1.00 0.00 O ATOM 0 H GLY A 37 19.280 0.308 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.582 0.812 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.927 2.437 2.001 1.00 0.00 H new ATOM 627 N CYS A 38 18.111 -0.120 3.031 1.00 0.00 N ATOM 628 CA CYS A 38 17.254 -0.588 4.114 1.00 0.00 C ATOM 629 C CYS A 38 17.571 -2.036 4.472 1.00 0.00 C ATOM 630 O CYS A 38 18.506 -2.629 3.933 1.00 0.00 O ATOM 631 CB CYS A 38 15.781 -0.458 3.719 1.00 0.00 C ATOM 632 SG CYS A 38 15.160 -1.836 2.726 1.00 0.00 S ATOM 0 H CYS A 38 18.126 -0.728 2.212 1.00 0.00 H new ATOM 0 HA CYS A 38 17.445 0.033 4.989 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.179 -0.376 4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.646 0.468 3.161 1.00 0.00 H new ATOM 0 HG CYS A 38 13.963 -2.153 3.123 1.00 0.00 H new ATOM 638 N ARG A 39 16.788 -2.601 5.386 1.00 0.00 N ATOM 639 CA ARG A 39 16.988 -3.978 5.818 1.00 0.00 C ATOM 640 C ARG A 39 15.751 -4.824 5.528 1.00 0.00 C ATOM 641 O ARG A 39 15.855 -6.015 5.237 1.00 0.00 O ATOM 642 CB ARG A 39 17.312 -4.024 7.312 1.00 0.00 C ATOM 643 CG ARG A 39 18.686 -3.473 7.655 1.00 0.00 C ATOM 644 CD ARG A 39 19.786 -4.470 7.321 1.00 0.00 C ATOM 645 NE ARG A 39 19.566 -5.763 7.963 1.00 0.00 N ATOM 646 CZ ARG A 39 19.870 -6.016 9.230 1.00 0.00 C ATOM 647 NH1 ARG A 39 20.405 -5.068 9.989 1.00 0.00 N ATOM 648 NH2 ARG A 39 19.640 -7.218 9.743 1.00 0.00 N ATOM 0 H ARG A 39 16.009 -2.125 5.841 1.00 0.00 H new ATOM 0 HA ARG A 39 17.828 -4.390 5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 39 16.557 -3.457 7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 39 17.247 -5.056 7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 39 18.855 -2.546 7.107 1.00 0.00 H new ATOM 0 HG3 ARG A 39 18.726 -3.227 8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 39 19.836 -4.606 6.241 1.00 0.00 H new ATOM 0 HD3 ARG A 39 20.748 -4.067 7.637 1.00 0.00 H new ATOM 0 HE ARG A 39 19.156 -6.513 7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.583 -4.143 9.599 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.638 -5.265 10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.229 -7.950 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.874 -7.410 10.717 1.00 0.00 H new ATOM 662 N LYS A 40 14.581 -4.199 5.610 1.00 0.00 N ATOM 663 CA LYS A 40 13.324 -4.892 5.357 1.00 0.00 C ATOM 664 C LYS A 40 12.615 -4.305 4.140 1.00 0.00 C ATOM 665 O LYS A 40 12.900 -3.182 3.727 1.00 0.00 O ATOM 666 CB LYS A 40 12.413 -4.804 6.583 1.00 0.00 C ATOM 667 CG LYS A 40 12.826 -5.727 7.716 1.00 0.00 C ATOM 668 CD LYS A 40 12.165 -7.089 7.596 1.00 0.00 C ATOM 669 CE LYS A 40 10.829 -7.125 8.323 1.00 0.00 C ATOM 670 NZ LYS A 40 9.703 -6.724 7.435 1.00 0.00 N ATOM 0 H LYS A 40 14.478 -3.213 5.850 1.00 0.00 H new ATOM 0 HA LYS A 40 13.550 -5.939 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.406 -3.777 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.392 -5.043 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.909 -5.846 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.558 -5.275 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.015 -7.330 6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.825 -7.853 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.650 -8.130 8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.867 -6.459 9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.804 -7.044 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.690 -5.689 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.828 -7.159 6.499 1.00 0.00 H new ATOM 684 N GLN A 41 11.691 -5.073 3.572 1.00 0.00 N ATOM 685 CA GLN A 41 10.941 -4.627 2.403 1.00 0.00 C ATOM 686 C GLN A 41 9.499 -4.296 2.775 1.00 0.00 C ATOM 687 O GLN A 41 8.972 -4.799 3.765 1.00 0.00 O ATOM 688 CB GLN A 41 10.965 -5.703 1.315 1.00 0.00 C ATOM 689 CG GLN A 41 12.359 -6.230 1.012 1.00 0.00 C ATOM 690 CD GLN A 41 12.334 -7.541 0.252 1.00 0.00 C ATOM 691 OE1 GLN A 41 13.013 -8.500 0.622 1.00 0.00 O ATOM 692 NE2 GLN A 41 11.547 -7.590 -0.818 1.00 0.00 N ATOM 0 H GLN A 41 11.444 -6.006 3.902 1.00 0.00 H new ATOM 0 HA GLN A 41 11.415 -3.723 2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.330 -6.534 1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.534 -5.294 0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.906 -5.488 0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.903 -6.366 1.947 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.002 -6.771 -1.088 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.488 -8.446 -1.369 1.00 0.00 H new ATOM 701 N GLY A 42 8.868 -3.444 1.973 1.00 0.00 N ATOM 702 CA GLY A 42 7.493 -3.059 2.235 1.00 0.00 C ATOM 703 C GLY A 42 6.531 -3.610 1.203 1.00 0.00 C ATOM 704 O GLY A 42 6.930 -3.946 0.086 1.00 0.00 O ATOM 0 H GLY A 42 9.284 -3.014 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.202 -3.413 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.420 -1.972 2.251 1.00 0.00 H new ATOM 708 N LEU A 43 5.259 -3.706 1.574 1.00 0.00 N ATOM 709 CA LEU A 43 4.235 -4.222 0.673 1.00 0.00 C ATOM 710 C LEU A 43 3.281 -3.114 0.239 1.00 0.00 C ATOM 711 O LEU A 43 2.922 -2.243 1.032 1.00 0.00 O ATOM 712 CB LEU A 43 3.452 -5.349 1.350 1.00 0.00 C ATOM 713 CG LEU A 43 2.142 -5.757 0.673 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.420 -6.588 -0.570 1.00 0.00 C ATOM 715 CD2 LEU A 43 1.257 -6.525 1.644 1.00 0.00 C ATOM 0 H LEU A 43 4.912 -3.433 2.494 1.00 0.00 H new ATOM 0 HA LEU A 43 4.732 -4.615 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.096 -6.227 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.230 -5.046 2.373 1.00 0.00 H new ATOM 0 HG LEU A 43 1.615 -4.853 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.477 -6.869 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.014 -6.004 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.969 -7.488 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.330 -6.807 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.777 -7.423 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.030 -5.896 2.505 1.00 0.00 H new ATOM 727 N VAL A 44 2.873 -3.152 -1.025 1.00 0.00 N ATOM 728 CA VAL A 44 1.957 -2.153 -1.564 1.00 0.00 C ATOM 729 C VAL A 44 0.625 -2.782 -1.953 1.00 0.00 C ATOM 730 O VAL A 44 0.539 -3.528 -2.929 1.00 0.00 O ATOM 731 CB VAL A 44 2.559 -1.447 -2.794 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.586 -0.416 -3.346 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.889 -0.801 -2.439 1.00 0.00 C ATOM 0 H VAL A 44 3.162 -3.864 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 44 1.791 -1.417 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 44 2.739 -2.193 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.028 0.073 -4.214 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.660 -0.910 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.372 0.329 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.300 -0.307 -3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.737 -0.066 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.585 -1.566 -2.094 1.00 0.00 H new ATOM 743 N HIS A 45 -0.416 -2.474 -1.185 1.00 0.00 N ATOM 744 CA HIS A 45 -1.747 -3.008 -1.450 1.00 0.00 C ATOM 745 C HIS A 45 -2.149 -2.766 -2.901 1.00 0.00 C ATOM 746 O HIS A 45 -1.715 -1.797 -3.523 1.00 0.00 O ATOM 747 CB HIS A 45 -2.771 -2.371 -0.510 1.00 0.00 C ATOM 748 CG HIS A 45 -3.929 -3.265 -0.192 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.234 -2.823 -0.153 1.00 0.00 N ATOM 750 CD2 HIS A 45 -3.973 -4.586 0.103 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.030 -3.832 0.154 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.289 -4.914 0.315 1.00 0.00 N ATOM 0 H HIS A 45 -0.363 -1.857 -0.374 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.723 -4.083 -1.273 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.274 -2.090 0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.145 -1.453 -0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.129 -5.257 0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.104 -3.781 0.256 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.638 -5.841 0.557 1.00 0.00 H new ATOM 760 N ARG A 46 -2.981 -3.655 -3.435 1.00 0.00 N ATOM 761 CA ARG A 46 -3.442 -3.539 -4.814 1.00 0.00 C ATOM 762 C ARG A 46 -4.206 -2.235 -5.024 1.00 0.00 C ATOM 763 O ARG A 46 -4.179 -1.654 -6.110 1.00 0.00 O ATOM 764 CB ARG A 46 -4.331 -4.728 -5.178 1.00 0.00 C ATOM 765 CG ARG A 46 -5.536 -4.891 -4.265 1.00 0.00 C ATOM 766 CD ARG A 46 -6.635 -5.704 -4.932 1.00 0.00 C ATOM 767 NE ARG A 46 -7.963 -5.318 -4.463 1.00 0.00 N ATOM 768 CZ ARG A 46 -9.027 -6.110 -4.537 1.00 0.00 C ATOM 769 NH1 ARG A 46 -8.920 -7.323 -5.060 1.00 0.00 N ATOM 770 NH2 ARG A 46 -10.202 -5.686 -4.089 1.00 0.00 N ATOM 0 H ARG A 46 -3.350 -4.463 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.567 -3.536 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.677 -4.611 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.735 -5.640 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.230 -5.381 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.923 -3.909 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.579 -5.571 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.474 -6.763 -4.733 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.080 -4.390 -4.057 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.019 -7.651 -5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.739 -7.929 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.288 -4.752 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.019 -6.294 -4.146 1.00 0.00 H new ATOM 784 N THR A 47 -4.888 -1.779 -3.977 1.00 0.00 N ATOM 785 CA THR A 47 -5.661 -0.545 -4.048 1.00 0.00 C ATOM 786 C THR A 47 -4.758 0.655 -4.306 1.00 0.00 C ATOM 787 O THR A 47 -5.147 1.602 -4.992 1.00 0.00 O ATOM 788 CB THR A 47 -6.455 -0.305 -2.750 1.00 0.00 C ATOM 789 OG1 THR A 47 -5.555 -0.072 -1.661 1.00 0.00 O ATOM 790 CG2 THR A 47 -7.345 -1.498 -2.432 1.00 0.00 C ATOM 0 H THR A 47 -4.920 -2.246 -3.071 1.00 0.00 H new ATOM 0 HA THR A 47 -6.359 -0.656 -4.878 1.00 0.00 H new ATOM 0 HB THR A 47 -7.086 0.572 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.426 -0.904 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.896 -1.306 -1.511 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.048 -1.655 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.729 -2.388 -2.307 1.00 0.00 H new ATOM 798 N HIS A 48 -3.549 0.611 -3.755 1.00 0.00 N ATOM 799 CA HIS A 48 -2.589 1.695 -3.928 1.00 0.00 C ATOM 800 C HIS A 48 -1.755 1.487 -5.188 1.00 0.00 C ATOM 801 O HIS A 48 -1.037 2.387 -5.624 1.00 0.00 O ATOM 802 CB HIS A 48 -1.674 1.794 -2.706 1.00 0.00 C ATOM 803 CG HIS A 48 -2.381 2.237 -1.463 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.689 3.556 -1.201 1.00 0.00 N ATOM 805 CD2 HIS A 48 -2.843 1.528 -0.407 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.307 3.639 -0.036 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.414 2.422 0.466 1.00 0.00 N ATOM 0 H HIS A 48 -3.211 -0.164 -3.185 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.145 2.627 -4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.215 0.822 -2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.866 2.493 -2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.775 0.458 -0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.664 4.547 0.427 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.850 2.184 1.357 1.00 0.00 H new ATOM 815 N MET A 49 -1.854 0.296 -5.767 1.00 0.00 N ATOM 816 CA MET A 49 -1.108 -0.030 -6.977 1.00 0.00 C ATOM 817 C MET A 49 -1.706 0.675 -8.190 1.00 0.00 C ATOM 818 O MET A 49 -1.023 0.898 -9.190 1.00 0.00 O ATOM 819 CB MET A 49 -1.099 -1.543 -7.204 1.00 0.00 C ATOM 820 CG MET A 49 -0.089 -2.281 -6.342 1.00 0.00 C ATOM 821 SD MET A 49 0.274 -3.937 -6.960 1.00 0.00 S ATOM 822 CE MET A 49 1.586 -3.583 -8.126 1.00 0.00 C ATOM 0 H MET A 49 -2.443 -0.460 -5.418 1.00 0.00 H new ATOM 0 HA MET A 49 -0.083 0.316 -6.847 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.094 -1.938 -7.002 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.884 -1.743 -8.254 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.835 -1.704 -6.297 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.470 -2.353 -5.323 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.003 -4.518 -8.500 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.186 -3.005 -8.959 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.369 -3.010 -7.630 1.00 0.00 H new ATOM 832 N SER A 50 -2.986 1.023 -8.096 1.00 0.00 N ATOM 833 CA SER A 50 -3.677 1.699 -9.188 1.00 0.00 C ATOM 834 C SER A 50 -4.479 2.888 -8.669 1.00 0.00 C ATOM 835 O SER A 50 -4.675 3.041 -7.463 1.00 0.00 O ATOM 836 CB SER A 50 -4.603 0.723 -9.915 1.00 0.00 C ATOM 837 OG SER A 50 -4.768 1.091 -11.273 1.00 0.00 O ATOM 0 H SER A 50 -3.565 0.848 -7.275 1.00 0.00 H new ATOM 0 HA SER A 50 -2.927 2.067 -9.888 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.193 -0.285 -9.856 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.574 0.701 -9.420 1.00 0.00 H new ATOM 0 HG SER A 50 -5.675 0.864 -11.565 1.00 0.00 H new ATOM 843 N SER A 51 -4.941 3.729 -9.589 1.00 0.00 N ATOM 844 CA SER A 51 -5.719 4.908 -9.226 1.00 0.00 C ATOM 845 C SER A 51 -6.978 4.514 -8.461 1.00 0.00 C ATOM 846 O SER A 51 -7.111 4.801 -7.270 1.00 0.00 O ATOM 847 CB SER A 51 -6.097 5.702 -10.478 1.00 0.00 C ATOM 848 OG SER A 51 -6.233 7.081 -10.185 1.00 0.00 O ATOM 0 H SER A 51 -4.790 3.616 -10.591 1.00 0.00 H new ATOM 0 HA SER A 51 -5.103 5.534 -8.580 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.334 5.563 -11.244 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.033 5.320 -10.886 1.00 0.00 H new ATOM 0 HG SER A 51 -6.473 7.567 -11.002 1.00 0.00 H new ATOM 854 N CYS A 52 -7.900 3.853 -9.152 1.00 0.00 N ATOM 855 CA CYS A 52 -9.150 3.418 -8.538 1.00 0.00 C ATOM 856 C CYS A 52 -9.454 1.967 -8.894 1.00 0.00 C ATOM 857 O CYS A 52 -9.395 1.083 -8.039 1.00 0.00 O ATOM 858 CB CYS A 52 -10.302 4.318 -8.988 1.00 0.00 C ATOM 859 SG CYS A 52 -10.218 6.004 -8.340 1.00 0.00 S ATOM 0 H CYS A 52 -7.806 3.607 -10.137 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.041 3.492 -7.456 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.313 4.359 -10.077 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.244 3.867 -8.677 1.00 0.00 H new ATOM 0 HG CYS A 52 -11.233 6.688 -8.778 1.00 0.00 H new ATOM 865 N ARG A 53 -9.781 1.728 -10.159 1.00 0.00 N ATOM 866 CA ARG A 53 -10.098 0.385 -10.628 1.00 0.00 C ATOM 867 C ARG A 53 -8.826 -0.434 -10.831 1.00 0.00 C ATOM 868 O ARG A 53 -7.890 0.008 -11.496 1.00 0.00 O ATOM 869 CB ARG A 53 -10.889 0.450 -11.936 1.00 0.00 C ATOM 870 CG ARG A 53 -11.831 -0.726 -12.136 1.00 0.00 C ATOM 871 CD ARG A 53 -11.140 -1.879 -12.847 1.00 0.00 C ATOM 872 NE ARG A 53 -12.045 -3.001 -13.079 1.00 0.00 N ATOM 873 CZ ARG A 53 -12.469 -3.814 -12.119 1.00 0.00 C ATOM 874 NH1 ARG A 53 -12.072 -3.630 -10.867 1.00 0.00 N ATOM 875 NH2 ARG A 53 -13.292 -4.814 -12.409 1.00 0.00 N ATOM 0 H ARG A 53 -9.833 2.449 -10.879 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.708 -0.103 -9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.466 1.375 -11.956 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.190 0.492 -12.772 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.203 -1.064 -11.169 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.696 -0.406 -12.716 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.743 -1.531 -13.800 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.291 -2.215 -12.252 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.369 -3.169 -14.031 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.440 -2.863 -10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.399 -4.256 -10.131 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.600 -4.959 -13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.617 -5.438 -11.670 1.00 0.00 H new ATOM 889 N VAL A 54 -8.800 -1.631 -10.251 1.00 0.00 N ATOM 890 CA VAL A 54 -7.644 -2.511 -10.368 1.00 0.00 C ATOM 891 C VAL A 54 -8.032 -3.848 -10.992 1.00 0.00 C ATOM 892 O VAL A 54 -8.496 -4.755 -10.301 1.00 0.00 O ATOM 893 CB VAL A 54 -6.992 -2.768 -8.997 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.637 -3.436 -9.166 1.00 0.00 C ATOM 895 CG2 VAL A 54 -6.861 -1.467 -8.219 1.00 0.00 C ATOM 0 H VAL A 54 -9.566 -2.012 -9.696 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.926 -2.005 -11.014 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.633 -3.442 -8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.192 -3.609 -8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.763 -4.388 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.983 -2.790 -9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.398 -1.666 -7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.241 -0.768 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.849 -1.034 -8.066 1.00 0.00 H new ATOM 905 N ASP A 55 -7.840 -3.961 -12.301 1.00 0.00 N ATOM 906 CA ASP A 55 -8.169 -5.187 -13.018 1.00 0.00 C ATOM 907 C ASP A 55 -7.139 -6.275 -12.734 1.00 0.00 C ATOM 908 O ASP A 55 -7.489 -7.441 -12.540 1.00 0.00 O ATOM 909 CB ASP A 55 -8.244 -4.919 -14.523 1.00 0.00 C ATOM 910 CG ASP A 55 -7.045 -4.146 -15.033 1.00 0.00 C ATOM 911 OD1 ASP A 55 -6.721 -3.094 -14.441 1.00 0.00 O ATOM 912 OD2 ASP A 55 -6.430 -4.591 -16.024 1.00 0.00 O ATOM 0 H ASP A 55 -7.458 -3.219 -12.887 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.142 -5.533 -12.669 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.314 -5.868 -15.055 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.154 -4.361 -14.745 1.00 0.00 H new ATOM 917 N LYS A 56 -5.868 -5.889 -12.712 1.00 0.00 N ATOM 918 CA LYS A 56 -4.786 -6.832 -12.451 1.00 0.00 C ATOM 919 C LYS A 56 -3.507 -6.097 -12.061 1.00 0.00 C ATOM 920 O LYS A 56 -2.823 -5.506 -12.897 1.00 0.00 O ATOM 921 CB LYS A 56 -4.531 -7.701 -13.684 1.00 0.00 C ATOM 922 CG LYS A 56 -4.611 -6.937 -14.995 1.00 0.00 C ATOM 923 CD LYS A 56 -4.921 -7.861 -16.160 1.00 0.00 C ATOM 924 CE LYS A 56 -6.421 -8.017 -16.365 1.00 0.00 C ATOM 925 NZ LYS A 56 -6.972 -9.156 -15.580 1.00 0.00 N ATOM 0 H LYS A 56 -5.561 -4.929 -12.872 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.086 -7.470 -11.620 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.545 -8.157 -13.599 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.257 -8.513 -13.702 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.381 -6.169 -14.923 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.666 -6.425 -15.177 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.468 -7.466 -17.069 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.474 -8.839 -15.979 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.925 -7.096 -16.072 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.629 -8.171 -17.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.842 -9.501 -16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.272 -9.924 -15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.188 -8.839 -14.613 1.00 0.00 H new ATOM 939 N PRO A 57 -3.175 -6.133 -10.763 1.00 0.00 N ATOM 940 CA PRO A 57 -1.976 -5.478 -10.234 1.00 0.00 C ATOM 941 C PRO A 57 -0.692 -6.167 -10.682 1.00 0.00 C ATOM 942 O PRO A 57 0.400 -5.617 -10.547 1.00 0.00 O ATOM 943 CB PRO A 57 -2.145 -5.598 -8.717 1.00 0.00 C ATOM 944 CG PRO A 57 -3.017 -6.790 -8.527 1.00 0.00 C ATOM 945 CD PRO A 57 -3.945 -6.818 -9.710 1.00 0.00 C ATOM 0 HA PRO A 57 -1.885 -4.451 -10.587 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.183 -5.728 -8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.602 -4.702 -8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.424 -7.703 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.576 -6.720 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.199 -7.838 -9.997 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.882 -6.303 -9.498 1.00 0.00 H new ATOM 953 N SER A 58 -0.831 -7.377 -11.217 1.00 0.00 N ATOM 954 CA SER A 58 0.318 -8.143 -11.683 1.00 0.00 C ATOM 955 C SER A 58 0.784 -7.648 -13.049 1.00 0.00 C ATOM 956 O SER A 58 1.945 -7.817 -13.419 1.00 0.00 O ATOM 957 CB SER A 58 -0.031 -9.631 -11.759 1.00 0.00 C ATOM 958 OG SER A 58 -0.098 -10.205 -10.465 1.00 0.00 O ATOM 0 H SER A 58 -1.728 -7.847 -11.338 1.00 0.00 H new ATOM 0 HA SER A 58 1.130 -8.003 -10.969 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.987 -9.758 -12.267 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.718 -10.154 -12.354 1.00 0.00 H new ATOM 0 HG SER A 58 -0.324 -11.156 -10.540 1.00 0.00 H new ATOM 964 N GLU A 59 -0.132 -7.036 -13.794 1.00 0.00 N ATOM 965 CA GLU A 59 0.185 -6.517 -15.119 1.00 0.00 C ATOM 966 C GLU A 59 0.641 -5.064 -15.040 1.00 0.00 C ATOM 967 O GLU A 59 1.065 -4.480 -16.038 1.00 0.00 O ATOM 968 CB GLU A 59 -1.032 -6.632 -16.040 1.00 0.00 C ATOM 969 CG GLU A 59 -1.667 -8.012 -16.040 1.00 0.00 C ATOM 970 CD GLU A 59 -0.684 -9.107 -16.408 1.00 0.00 C ATOM 971 OE1 GLU A 59 0.218 -8.842 -17.229 1.00 0.00 O ATOM 972 OE2 GLU A 59 -0.818 -10.228 -15.874 1.00 0.00 O ATOM 0 H GLU A 59 -1.098 -6.888 -13.503 1.00 0.00 H new ATOM 0 HA GLU A 59 1.000 -7.113 -15.529 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.778 -5.898 -15.736 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.733 -6.379 -17.057 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.081 -8.217 -15.053 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.499 -8.025 -16.744 1.00 0.00 H new ATOM 979 N ILE A 60 0.551 -4.486 -13.847 1.00 0.00 N ATOM 980 CA ILE A 60 0.955 -3.101 -13.637 1.00 0.00 C ATOM 981 C ILE A 60 2.459 -2.996 -13.410 1.00 0.00 C ATOM 982 O ILE A 60 3.095 -2.031 -13.835 1.00 0.00 O ATOM 983 CB ILE A 60 0.221 -2.477 -12.435 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.290 -2.673 -12.573 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.561 -0.999 -12.316 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.078 -2.151 -11.393 1.00 0.00 C ATOM 0 H ILE A 60 0.202 -4.955 -13.011 1.00 0.00 H new ATOM 0 HA ILE A 60 0.687 -2.553 -14.540 1.00 0.00 H new ATOM 0 HB ILE A 60 0.551 -2.980 -11.526 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.632 -2.171 -13.478 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.500 -3.735 -12.699 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.035 -0.572 -11.462 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.636 -0.883 -12.175 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.257 -0.481 -13.226 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.141 -2.324 -11.560 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.764 -2.670 -10.487 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.898 -1.082 -11.279 1.00 0.00 H new ATOM 998 N VAL A 61 3.023 -3.995 -12.739 1.00 0.00 N ATOM 999 CA VAL A 61 4.453 -4.017 -12.459 1.00 0.00 C ATOM 1000 C VAL A 61 5.023 -5.422 -12.616 1.00 0.00 C ATOM 1001 O VAL A 61 4.280 -6.388 -12.788 1.00 0.00 O ATOM 1002 CB VAL A 61 4.755 -3.508 -11.037 1.00 0.00 C ATOM 1003 CG1 VAL A 61 4.138 -2.135 -10.819 1.00 0.00 C ATOM 1004 CG2 VAL A 61 4.249 -4.499 -10.000 1.00 0.00 C ATOM 0 H VAL A 61 2.511 -4.800 -12.379 1.00 0.00 H new ATOM 0 HA VAL A 61 4.927 -3.353 -13.182 1.00 0.00 H new ATOM 0 HB VAL A 61 5.835 -3.416 -10.924 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.362 -1.792 -9.809 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.552 -1.431 -11.541 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.058 -2.197 -10.950 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.470 -4.125 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.172 -4.623 -10.111 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.742 -5.460 -10.145 1.00 0.00 H new ATOM 1014 N ASP A 62 6.346 -5.529 -12.556 1.00 0.00 N ATOM 1015 CA ASP A 62 7.017 -6.817 -12.689 1.00 0.00 C ATOM 1016 C ASP A 62 8.386 -6.789 -12.019 1.00 0.00 C ATOM 1017 O ASP A 62 9.146 -5.833 -12.177 1.00 0.00 O ATOM 1018 CB ASP A 62 7.164 -7.188 -14.166 1.00 0.00 C ATOM 1019 CG ASP A 62 5.935 -6.832 -14.978 1.00 0.00 C ATOM 1020 OD1 ASP A 62 5.726 -5.629 -15.243 1.00 0.00 O ATOM 1021 OD2 ASP A 62 5.183 -7.756 -15.351 1.00 0.00 O ATOM 0 H ASP A 62 6.975 -4.739 -12.416 1.00 0.00 H new ATOM 0 HA ASP A 62 6.406 -7.571 -12.192 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.031 -6.675 -14.582 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.355 -8.258 -14.252 1.00 0.00 H new ATOM 1026 N VAL A 63 8.695 -7.843 -11.269 1.00 0.00 N ATOM 1027 CA VAL A 63 9.973 -7.939 -10.574 1.00 0.00 C ATOM 1028 C VAL A 63 11.108 -7.398 -11.435 1.00 0.00 C ATOM 1029 O VAL A 63 11.336 -7.868 -12.550 1.00 0.00 O ATOM 1030 CB VAL A 63 10.289 -9.394 -10.182 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.670 -9.488 -9.550 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.225 -9.934 -9.239 1.00 0.00 C ATOM 0 H VAL A 63 8.077 -8.642 -11.128 1.00 0.00 H new ATOM 0 HA VAL A 63 9.889 -7.337 -9.669 1.00 0.00 H new ATOM 0 HB VAL A 63 10.286 -10.005 -11.085 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.876 -10.523 -9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.420 -9.142 -10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.704 -8.865 -8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.464 -10.963 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.194 -9.323 -8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.253 -9.903 -9.731 1.00 0.00 H new ATOM 1042 N GLY A 64 11.820 -6.404 -10.912 1.00 0.00 N ATOM 1043 CA GLY A 64 12.924 -5.815 -11.645 1.00 0.00 C ATOM 1044 C GLY A 64 12.637 -4.392 -12.081 1.00 0.00 C ATOM 1045 O GLY A 64 13.554 -3.643 -12.421 1.00 0.00 O ATOM 0 H GLY A 64 11.651 -5.996 -9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.818 -5.827 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.139 -6.424 -12.523 1.00 0.00 H new ATOM 1049 N ASP A 65 11.363 -4.018 -12.072 1.00 0.00 N ATOM 1050 CA ASP A 65 10.957 -2.674 -12.469 1.00 0.00 C ATOM 1051 C ASP A 65 11.047 -1.709 -11.291 1.00 0.00 C ATOM 1052 O ASP A 65 10.527 -1.981 -10.211 1.00 0.00 O ATOM 1053 CB ASP A 65 9.531 -2.692 -13.022 1.00 0.00 C ATOM 1054 CG ASP A 65 9.456 -3.301 -14.409 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.247 -2.887 -15.282 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.606 -4.192 -14.621 1.00 0.00 O ATOM 0 H ASP A 65 10.593 -4.626 -11.794 1.00 0.00 H new ATOM 0 HA ASP A 65 11.637 -2.331 -13.249 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.889 -3.256 -12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.144 -1.674 -13.054 1.00 0.00 H new ATOM 1061 N LYS A 66 11.713 -0.579 -11.509 1.00 0.00 N ATOM 1062 CA LYS A 66 11.872 0.428 -10.467 1.00 0.00 C ATOM 1063 C LYS A 66 10.720 1.427 -10.496 1.00 0.00 C ATOM 1064 O LYS A 66 10.363 1.948 -11.553 1.00 0.00 O ATOM 1065 CB LYS A 66 13.204 1.163 -10.639 1.00 0.00 C ATOM 1066 CG LYS A 66 13.311 2.429 -9.807 1.00 0.00 C ATOM 1067 CD LYS A 66 14.631 3.143 -10.046 1.00 0.00 C ATOM 1068 CE LYS A 66 14.630 3.889 -11.370 1.00 0.00 C ATOM 1069 NZ LYS A 66 15.033 3.010 -12.503 1.00 0.00 N ATOM 0 H LYS A 66 12.151 -0.338 -12.398 1.00 0.00 H new ATOM 0 HA LYS A 66 11.866 -0.079 -9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.018 0.491 -10.369 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.336 1.417 -11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.485 3.097 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.217 2.180 -8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.819 3.844 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.445 2.418 -10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.635 4.292 -11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.311 4.738 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.844 3.432 -12.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.299 2.073 -12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.237 2.910 -13.165 1.00 0.00 H new ATOM 1083 N VAL A 67 10.143 1.693 -9.327 1.00 0.00 N ATOM 1084 CA VAL A 67 9.033 2.632 -9.219 1.00 0.00 C ATOM 1085 C VAL A 67 9.149 3.475 -7.954 1.00 0.00 C ATOM 1086 O VAL A 67 9.977 3.200 -7.086 1.00 0.00 O ATOM 1087 CB VAL A 67 7.677 1.901 -9.214 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.434 1.217 -10.551 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.619 0.896 -8.074 1.00 0.00 C ATOM 0 H VAL A 67 10.426 1.271 -8.443 1.00 0.00 H new ATOM 0 HA VAL A 67 9.082 3.283 -10.092 1.00 0.00 H new ATOM 0 HB VAL A 67 6.888 2.637 -9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.472 0.706 -10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.430 1.963 -11.346 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.226 0.492 -10.738 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.654 0.389 -8.085 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.416 0.163 -8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.745 1.416 -7.124 1.00 0.00 H new ATOM 1099 N TRP A 68 8.314 4.502 -7.858 1.00 0.00 N ATOM 1100 CA TRP A 68 8.321 5.387 -6.697 1.00 0.00 C ATOM 1101 C TRP A 68 7.146 5.084 -5.774 1.00 0.00 C ATOM 1102 O TRP A 68 6.003 4.990 -6.219 1.00 0.00 O ATOM 1103 CB TRP A 68 8.271 6.849 -7.144 1.00 0.00 C ATOM 1104 CG TRP A 68 9.504 7.290 -7.874 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.695 7.303 -9.226 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.716 7.780 -7.290 1.00 0.00 C ATOM 1107 NE1 TRP A 68 10.953 7.772 -9.518 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.598 8.072 -8.348 1.00 0.00 C ATOM 1109 CE3 TRP A 68 11.140 8.003 -5.977 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 12.879 8.573 -8.130 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.411 8.499 -5.763 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.269 8.780 -6.836 1.00 0.00 C ATOM 0 H TRP A 68 7.623 4.744 -8.569 1.00 0.00 H new ATOM 0 HA TRP A 68 9.245 5.215 -6.146 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.404 6.995 -7.789 1.00 0.00 H new ATOM 0 HB3 TRP A 68 8.128 7.484 -6.270 1.00 0.00 H new ATOM 0 HD1 TRP A 68 8.965 6.991 -9.958 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.343 7.879 -10.454 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.485 7.791 -5.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.542 8.791 -8.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.750 8.673 -4.752 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.257 9.167 -6.636 1.00 0.00 H new ATOM 1123 N VAL A 69 7.437 4.931 -4.485 1.00 0.00 N ATOM 1124 CA VAL A 69 6.403 4.639 -3.499 1.00 0.00 C ATOM 1125 C VAL A 69 6.493 5.590 -2.311 1.00 0.00 C ATOM 1126 O VAL A 69 7.548 6.166 -2.040 1.00 0.00 O ATOM 1127 CB VAL A 69 6.506 3.189 -2.991 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.380 2.208 -4.146 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.812 2.979 -2.241 1.00 0.00 C ATOM 0 H VAL A 69 8.379 5.004 -4.100 1.00 0.00 H new ATOM 0 HA VAL A 69 5.443 4.774 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 69 5.684 3.005 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.455 1.189 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.415 2.343 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.179 2.388 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.868 1.949 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.651 3.181 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.855 3.657 -1.388 1.00 0.00 H new ATOM 1139 N LYS A 70 5.381 5.751 -1.602 1.00 0.00 N ATOM 1140 CA LYS A 70 5.333 6.630 -0.441 1.00 0.00 C ATOM 1141 C LYS A 70 4.712 5.918 0.756 1.00 0.00 C ATOM 1142 O LYS A 70 3.606 5.382 0.668 1.00 0.00 O ATOM 1143 CB LYS A 70 4.534 7.895 -0.766 1.00 0.00 C ATOM 1144 CG LYS A 70 4.257 8.767 0.446 1.00 0.00 C ATOM 1145 CD LYS A 70 2.986 9.581 0.269 1.00 0.00 C ATOM 1146 CE LYS A 70 1.748 8.754 0.581 1.00 0.00 C ATOM 1147 NZ LYS A 70 0.509 9.581 0.561 1.00 0.00 N ATOM 0 H LYS A 70 4.499 5.283 -1.812 1.00 0.00 H new ATOM 0 HA LYS A 70 6.355 6.908 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.080 8.479 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.586 7.609 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.168 8.140 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.100 9.438 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.017 10.453 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.929 9.952 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.658 7.947 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.859 8.290 1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.319 8.970 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.555 10.294 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.425 10.058 -0.359 1.00 0.00 H new ATOM 1161 N LEU A 71 5.429 5.917 1.875 1.00 0.00 N ATOM 1162 CA LEU A 71 4.948 5.270 3.091 1.00 0.00 C ATOM 1163 C LEU A 71 3.623 5.878 3.542 1.00 0.00 C ATOM 1164 O LEU A 71 3.442 7.094 3.506 1.00 0.00 O ATOM 1165 CB LEU A 71 5.987 5.400 4.206 1.00 0.00 C ATOM 1166 CG LEU A 71 5.760 4.525 5.440 1.00 0.00 C ATOM 1167 CD1 LEU A 71 6.051 3.067 5.120 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.624 5.003 6.598 1.00 0.00 C ATOM 0 H LEU A 71 6.345 6.357 1.965 1.00 0.00 H new ATOM 0 HA LEU A 71 4.788 4.214 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.967 5.162 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.020 6.442 4.525 1.00 0.00 H new ATOM 0 HG LEU A 71 4.714 4.609 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.884 2.459 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.390 2.731 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.088 2.965 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.450 4.369 7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.675 4.949 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.367 6.034 6.843 1.00 0.00 H new ATOM 1180 N ILE A 72 2.700 5.021 3.968 1.00 0.00 N ATOM 1181 CA ILE A 72 1.394 5.474 4.429 1.00 0.00 C ATOM 1182 C ILE A 72 1.180 5.127 5.899 1.00 0.00 C ATOM 1183 O ILE A 72 0.511 5.858 6.629 1.00 0.00 O ATOM 1184 CB ILE A 72 0.257 4.853 3.596 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.273 3.328 3.728 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.383 5.265 2.138 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -0.612 2.626 2.722 1.00 0.00 C ATOM 0 H ILE A 72 2.833 4.010 4.003 1.00 0.00 H new ATOM 0 HA ILE A 72 1.374 6.557 4.307 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.696 5.222 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.296 2.972 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.046 3.055 4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.428 4.818 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.327 6.351 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.340 4.922 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.552 1.548 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.643 2.954 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.280 2.869 1.713 1.00 0.00 H new ATOM 1199 N GLY A 73 1.753 4.007 6.328 1.00 0.00 N ATOM 1200 CA GLY A 73 1.615 3.584 7.708 1.00 0.00 C ATOM 1201 C GLY A 73 2.626 2.522 8.094 1.00 0.00 C ATOM 1202 O GLY A 73 2.876 1.588 7.331 1.00 0.00 O ATOM 0 H GLY A 73 2.311 3.385 5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.732 4.448 8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.608 3.198 7.867 1.00 0.00 H new ATOM 1206 N ARG A 74 3.209 2.665 9.279 1.00 0.00 N ATOM 1207 CA ARG A 74 4.200 1.712 9.763 1.00 0.00 C ATOM 1208 C ARG A 74 3.639 0.879 10.912 1.00 0.00 C ATOM 1209 O ARG A 74 3.201 1.421 11.927 1.00 0.00 O ATOM 1210 CB ARG A 74 5.463 2.444 10.219 1.00 0.00 C ATOM 1211 CG ARG A 74 6.178 3.182 9.098 1.00 0.00 C ATOM 1212 CD ARG A 74 7.180 4.187 9.643 1.00 0.00 C ATOM 1213 NE ARG A 74 8.239 3.542 10.414 1.00 0.00 N ATOM 1214 CZ ARG A 74 9.239 4.203 10.986 1.00 0.00 C ATOM 1215 NH1 ARG A 74 9.315 5.523 10.875 1.00 0.00 N ATOM 1216 NH2 ARG A 74 10.165 3.545 11.672 1.00 0.00 N ATOM 0 H ARG A 74 3.012 3.432 9.922 1.00 0.00 H new ATOM 0 HA ARG A 74 4.453 1.042 8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.198 3.156 11.000 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.149 1.724 10.664 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.692 2.464 8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.446 3.697 8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.621 4.743 8.816 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.662 4.910 10.273 1.00 0.00 H new ATOM 0 HE ARG A 74 8.209 2.528 10.519 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.604 6.032 10.350 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.084 6.028 11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.109 2.530 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.932 4.054 12.111 1.00 0.00 H new ATOM 1230 N GLU A 75 3.655 -0.439 10.744 1.00 0.00 N ATOM 1231 CA GLU A 75 3.147 -1.345 11.767 1.00 0.00 C ATOM 1232 C GLU A 75 4.168 -2.433 12.087 1.00 0.00 C ATOM 1233 O GLU A 75 4.619 -3.156 11.199 1.00 0.00 O ATOM 1234 CB GLU A 75 1.834 -1.982 11.309 1.00 0.00 C ATOM 1235 CG GLU A 75 0.663 -1.013 11.286 1.00 0.00 C ATOM 1236 CD GLU A 75 0.528 -0.294 9.958 1.00 0.00 C ATOM 1237 OE1 GLU A 75 0.813 -0.916 8.913 1.00 0.00 O ATOM 1238 OE2 GLU A 75 0.136 0.891 9.962 1.00 0.00 O ATOM 0 H GLU A 75 4.014 -0.903 9.910 1.00 0.00 H new ATOM 0 HA GLU A 75 2.965 -0.764 12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.970 -2.398 10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.593 -2.814 11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.258 -1.557 11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.788 -0.279 12.082 1.00 0.00 H new ATOM 1245 N MET A 76 4.528 -2.543 13.361 1.00 0.00 N ATOM 1246 CA MET A 76 5.496 -3.543 13.799 1.00 0.00 C ATOM 1247 C MET A 76 4.858 -4.525 14.776 1.00 0.00 C ATOM 1248 O MET A 76 4.476 -4.153 15.886 1.00 0.00 O ATOM 1249 CB MET A 76 6.701 -2.864 14.454 1.00 0.00 C ATOM 1250 CG MET A 76 7.655 -3.838 15.125 1.00 0.00 C ATOM 1251 SD MET A 76 7.233 -4.147 16.850 1.00 0.00 S ATOM 1252 CE MET A 76 8.825 -3.914 17.636 1.00 0.00 C ATOM 0 H MET A 76 4.164 -1.952 14.109 1.00 0.00 H new ATOM 0 HA MET A 76 5.832 -4.097 12.922 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.245 -2.298 13.698 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.346 -2.147 15.194 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.648 -4.781 14.579 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.670 -3.444 15.068 1.00 0.00 H new ATOM 0 HE1 MET A 76 8.727 -4.072 18.710 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.540 -4.628 17.228 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.178 -2.900 17.449 1.00 0.00 H new ATOM 1262 N LYS A 77 4.746 -5.780 14.356 1.00 0.00 N ATOM 1263 CA LYS A 77 4.154 -6.817 15.194 1.00 0.00 C ATOM 1264 C LYS A 77 5.235 -7.717 15.789 1.00 0.00 C ATOM 1265 O LYS A 77 6.280 -7.933 15.179 1.00 0.00 O ATOM 1266 CB LYS A 77 3.168 -7.658 14.381 1.00 0.00 C ATOM 1267 CG LYS A 77 1.971 -6.870 13.875 1.00 0.00 C ATOM 1268 CD LYS A 77 1.379 -7.497 12.624 1.00 0.00 C ATOM 1269 CE LYS A 77 -0.103 -7.181 12.489 1.00 0.00 C ATOM 1270 NZ LYS A 77 -0.567 -7.289 11.079 1.00 0.00 N ATOM 0 H LYS A 77 5.057 -6.104 13.440 1.00 0.00 H new ATOM 0 HA LYS A 77 3.620 -6.330 16.010 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.691 -8.095 13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.814 -8.485 14.997 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.210 -6.822 14.654 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.273 -5.845 13.661 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.911 -7.131 11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.520 -8.577 12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.678 -7.864 13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.295 -6.173 12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.582 -7.066 11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.036 -6.619 10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.408 -8.257 10.734 1.00 0.00 H new ATOM 1284 N ASN A 78 4.971 -8.239 16.982 1.00 0.00 N ATOM 1285 CA ASN A 78 5.920 -9.116 17.659 1.00 0.00 C ATOM 1286 C ASN A 78 6.219 -10.349 16.813 1.00 0.00 C ATOM 1287 O ASN A 78 7.173 -11.081 17.079 1.00 0.00 O ATOM 1288 CB ASN A 78 5.372 -9.539 19.022 1.00 0.00 C ATOM 1289 CG ASN A 78 6.439 -10.146 19.912 1.00 0.00 C ATOM 1290 OD1 ASN A 78 7.514 -9.572 20.091 1.00 0.00 O ATOM 1291 ND2 ASN A 78 6.148 -11.313 20.475 1.00 0.00 N ATOM 0 H ASN A 78 4.109 -8.070 17.500 1.00 0.00 H new ATOM 0 HA ASN A 78 6.848 -8.563 17.804 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.937 -8.673 19.520 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.568 -10.261 18.879 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.828 -11.769 21.083 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.245 -11.753 20.299 1.00 0.00 H new ATOM 1298 N ASP A 79 5.398 -10.574 15.792 1.00 0.00 N ATOM 1299 CA ASP A 79 5.575 -11.717 14.906 1.00 0.00 C ATOM 1300 C ASP A 79 6.317 -11.311 13.635 1.00 0.00 C ATOM 1301 O ASP A 79 7.044 -12.112 13.046 1.00 0.00 O ATOM 1302 CB ASP A 79 4.219 -12.326 14.546 1.00 0.00 C ATOM 1303 CG ASP A 79 4.340 -13.747 14.033 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.777 -13.926 12.876 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.998 -14.681 14.787 1.00 0.00 O ATOM 0 H ASP A 79 4.603 -9.979 15.558 1.00 0.00 H new ATOM 0 HA ASP A 79 6.172 -12.463 15.432 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.574 -12.314 15.425 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.737 -11.709 13.788 1.00 0.00 H new ATOM 1310 N ARG A 80 6.128 -10.064 13.220 1.00 0.00 N ATOM 1311 CA ARG A 80 6.778 -9.552 12.019 1.00 0.00 C ATOM 1312 C ARG A 80 6.465 -8.071 11.821 1.00 0.00 C ATOM 1313 O ARG A 80 5.463 -7.565 12.326 1.00 0.00 O ATOM 1314 CB ARG A 80 6.327 -10.347 10.793 1.00 0.00 C ATOM 1315 CG ARG A 80 4.852 -10.182 10.467 1.00 0.00 C ATOM 1316 CD ARG A 80 4.481 -10.904 9.180 1.00 0.00 C ATOM 1317 NE ARG A 80 4.727 -12.341 9.268 1.00 0.00 N ATOM 1318 CZ ARG A 80 4.547 -13.181 8.256 1.00 0.00 C ATOM 1319 NH1 ARG A 80 4.122 -12.730 7.084 1.00 0.00 N ATOM 1320 NH2 ARG A 80 4.792 -14.475 8.414 1.00 0.00 N ATOM 0 H ARG A 80 5.530 -9.389 13.697 1.00 0.00 H new ATOM 0 HA ARG A 80 7.855 -9.665 12.142 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.918 -10.035 9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.538 -11.404 10.958 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.251 -10.570 11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.616 -9.122 10.372 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.428 -10.729 8.957 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.055 -10.488 8.352 1.00 0.00 H new ATOM 0 HE ARG A 80 5.055 -12.720 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.933 -11.736 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.984 -13.377 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.119 -14.826 9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.653 -15.119 7.635 1.00 0.00 H new ATOM 1334 N ILE A 81 7.331 -7.383 11.084 1.00 0.00 N ATOM 1335 CA ILE A 81 7.146 -5.962 10.819 1.00 0.00 C ATOM 1336 C ILE A 81 6.412 -5.738 9.501 1.00 0.00 C ATOM 1337 O ILE A 81 6.870 -6.165 8.442 1.00 0.00 O ATOM 1338 CB ILE A 81 8.494 -5.218 10.774 1.00 0.00 C ATOM 1339 CG1 ILE A 81 9.303 -5.505 12.042 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.269 -3.722 10.612 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.667 -4.853 12.049 1.00 0.00 C ATOM 0 H ILE A 81 8.167 -7.786 10.660 1.00 0.00 H new ATOM 0 HA ILE A 81 6.547 -5.565 11.638 1.00 0.00 H new ATOM 0 HB ILE A 81 9.060 -5.576 9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.740 -5.159 12.909 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.424 -6.583 12.150 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.231 -3.211 10.582 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.729 -3.534 9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.686 -3.349 11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.183 -5.099 12.977 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.249 -5.217 11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.554 -3.772 11.973 1.00 0.00 H new ATOM 1353 N LYS A 82 5.269 -5.064 9.575 1.00 0.00 N ATOM 1354 CA LYS A 82 4.471 -4.780 8.389 1.00 0.00 C ATOM 1355 C LYS A 82 4.657 -3.333 7.941 1.00 0.00 C ATOM 1356 O LYS A 82 4.531 -2.404 8.739 1.00 0.00 O ATOM 1357 CB LYS A 82 2.991 -5.051 8.668 1.00 0.00 C ATOM 1358 CG LYS A 82 2.214 -5.505 7.444 1.00 0.00 C ATOM 1359 CD LYS A 82 2.293 -7.012 7.260 1.00 0.00 C ATOM 1360 CE LYS A 82 3.617 -7.428 6.639 1.00 0.00 C ATOM 1361 NZ LYS A 82 3.531 -8.769 5.997 1.00 0.00 N ATOM 0 H LYS A 82 4.875 -4.704 10.444 1.00 0.00 H new ATOM 0 HA LYS A 82 4.810 -5.437 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.910 -5.813 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.533 -4.145 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.171 -5.204 7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.608 -5.008 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.172 -7.504 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.472 -7.346 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.918 -6.689 5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.390 -7.442 7.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.453 -9.017 5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.268 -9.479 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.811 -8.749 5.247 1.00 0.00 H new ATOM 1375 N VAL A 83 4.957 -3.150 6.659 1.00 0.00 N ATOM 1376 CA VAL A 83 5.158 -1.816 6.105 1.00 0.00 C ATOM 1377 C VAL A 83 4.210 -1.556 4.940 1.00 0.00 C ATOM 1378 O VAL A 83 4.252 -2.251 3.924 1.00 0.00 O ATOM 1379 CB VAL A 83 6.609 -1.620 5.625 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.807 -0.214 5.083 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.586 -1.909 6.755 1.00 0.00 C ATOM 0 H VAL A 83 5.066 -3.908 5.985 1.00 0.00 H new ATOM 0 HA VAL A 83 4.949 -1.106 6.905 1.00 0.00 H new ATOM 0 HB VAL A 83 6.805 -2.324 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.838 -0.095 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.132 -0.049 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.594 0.512 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.606 -1.766 6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.393 -1.230 7.586 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.460 -2.938 7.091 1.00 0.00 H new ATOM 1391 N SER A 84 3.354 -0.551 5.092 1.00 0.00 N ATOM 1392 CA SER A 84 2.391 -0.201 4.054 1.00 0.00 C ATOM 1393 C SER A 84 2.913 0.946 3.195 1.00 0.00 C ATOM 1394 O SER A 84 3.303 1.996 3.709 1.00 0.00 O ATOM 1395 CB SER A 84 1.050 0.185 4.681 1.00 0.00 C ATOM 1396 OG SER A 84 0.342 -0.962 5.118 1.00 0.00 O ATOM 0 H SER A 84 3.307 0.036 5.925 1.00 0.00 H new ATOM 0 HA SER A 84 2.247 -1.074 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.219 0.855 5.524 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.449 0.732 3.954 1.00 0.00 H new ATOM 0 HG SER A 84 -0.510 -0.688 5.516 1.00 0.00 H new ATOM 1402 N LEU A 85 2.917 0.740 1.883 1.00 0.00 N ATOM 1403 CA LEU A 85 3.390 1.756 0.950 1.00 0.00 C ATOM 1404 C LEU A 85 2.318 2.090 -0.082 1.00 0.00 C ATOM 1405 O LEU A 85 1.394 1.308 -0.307 1.00 0.00 O ATOM 1406 CB LEU A 85 4.661 1.277 0.245 1.00 0.00 C ATOM 1407 CG LEU A 85 5.738 0.668 1.143 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.889 0.131 0.307 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.240 1.696 2.146 1.00 0.00 C ATOM 0 H LEU A 85 2.598 -0.122 1.441 1.00 0.00 H new ATOM 0 HA LEU A 85 3.615 2.659 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.380 0.537 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.096 2.122 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 85 5.297 -0.163 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.646 -0.299 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.518 -0.638 -0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.329 0.944 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.006 1.245 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.664 2.547 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.410 2.033 2.768 1.00 0.00 H new ATOM 1421 N SER A 86 2.448 3.256 -0.707 1.00 0.00 N ATOM 1422 CA SER A 86 1.488 3.695 -1.714 1.00 0.00 C ATOM 1423 C SER A 86 2.200 4.095 -3.004 1.00 0.00 C ATOM 1424 O SER A 86 3.307 4.632 -2.974 1.00 0.00 O ATOM 1425 CB SER A 86 0.665 4.871 -1.186 1.00 0.00 C ATOM 1426 OG SER A 86 -0.413 5.169 -2.056 1.00 0.00 O ATOM 0 H SER A 86 3.208 3.914 -0.534 1.00 0.00 H new ATOM 0 HA SER A 86 0.819 2.862 -1.931 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.281 4.634 -0.194 1.00 0.00 H new ATOM 0 HB3 SER A 86 1.304 5.748 -1.080 1.00 0.00 H new ATOM 0 HG SER A 86 -1.197 4.641 -1.798 1.00 0.00 H new ATOM 1432 N MET A 87 1.555 3.829 -4.135 1.00 0.00 N ATOM 1433 CA MET A 87 2.123 4.162 -5.435 1.00 0.00 C ATOM 1434 C MET A 87 1.174 5.050 -6.233 1.00 0.00 C ATOM 1435 O MET A 87 1.609 5.885 -7.027 1.00 0.00 O ATOM 1436 CB MET A 87 2.430 2.886 -6.223 1.00 0.00 C ATOM 1437 CG MET A 87 3.593 2.087 -5.658 1.00 0.00 C ATOM 1438 SD MET A 87 3.658 0.405 -6.302 1.00 0.00 S ATOM 1439 CE MET A 87 4.142 0.709 -7.999 1.00 0.00 C ATOM 0 H MET A 87 0.638 3.384 -4.177 1.00 0.00 H new ATOM 0 HA MET A 87 3.050 4.710 -5.268 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.541 2.256 -6.239 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.651 3.152 -7.257 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.527 2.598 -5.892 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.512 2.053 -4.572 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.628 -0.179 -8.403 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.258 0.941 -8.593 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.835 1.550 -8.035 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.124 4.865 -6.017 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.135 5.651 -6.713 1.00 0.00 C ATOM 1451 C LYS A 88 -1.052 7.121 -6.316 1.00 0.00 C ATOM 1452 O LYS A 88 -1.676 7.980 -6.940 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.533 5.107 -6.407 1.00 0.00 C ATOM 1454 CG LYS A 88 -3.049 5.497 -5.034 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.477 5.022 -4.820 1.00 0.00 C ATOM 1456 CE LYS A 88 -4.856 5.041 -3.348 1.00 0.00 C ATOM 1457 NZ LYS A 88 -6.253 4.575 -3.129 1.00 0.00 N ATOM 0 H LYS A 88 -0.500 4.177 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.947 5.572 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.229 5.469 -7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.516 4.020 -6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.403 5.070 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.004 6.580 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.161 5.659 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.588 4.011 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.169 4.406 -2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.745 6.053 -2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.473 4.603 -2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.911 5.196 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.353 3.601 -3.478 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.277 7.405 -5.274 1.00 0.00 N ATOM 1472 CA VAL A 89 -0.109 8.772 -4.796 1.00 0.00 C ATOM 1473 C VAL A 89 1.307 9.275 -5.050 1.00 0.00 C ATOM 1474 O VAL A 89 1.793 10.169 -4.357 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.420 8.882 -3.291 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.803 8.326 -2.989 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.644 8.161 -2.475 1.00 0.00 C ATOM 0 H VAL A 89 0.244 6.706 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.814 9.390 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.410 9.935 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.005 8.412 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.551 8.889 -3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.846 7.277 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.410 8.248 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.667 7.108 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.618 8.610 -2.670 1.00 0.00 H new ATOM 1487 N VAL A 90 1.965 8.693 -6.048 1.00 0.00 N ATOM 1488 CA VAL A 90 3.327 9.083 -6.396 1.00 0.00 C ATOM 1489 C VAL A 90 3.620 8.805 -7.865 1.00 0.00 C ATOM 1490 O VAL A 90 3.424 7.691 -8.348 1.00 0.00 O ATOM 1491 CB VAL A 90 4.361 8.341 -5.528 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.775 8.668 -5.986 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.173 8.691 -4.060 1.00 0.00 C ATOM 0 H VAL A 90 1.577 7.950 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 90 3.408 10.154 -6.209 1.00 0.00 H new ATOM 0 HB VAL A 90 4.206 7.268 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.492 8.135 -5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.901 8.362 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.946 9.741 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.912 8.158 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.301 9.765 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.171 8.401 -3.742 1.00 0.00 H new ATOM 1503 N ASN A 91 4.090 9.827 -8.572 1.00 0.00 N ATOM 1504 CA ASN A 91 4.410 9.693 -9.989 1.00 0.00 C ATOM 1505 C ASN A 91 5.466 8.613 -10.209 1.00 0.00 C ATOM 1506 O ASN A 91 6.219 8.275 -9.296 1.00 0.00 O ATOM 1507 CB ASN A 91 4.906 11.027 -10.550 1.00 0.00 C ATOM 1508 CG ASN A 91 4.664 11.153 -12.041 1.00 0.00 C ATOM 1509 OD1 ASN A 91 5.359 10.535 -12.848 1.00 0.00 O ATOM 1510 ND2 ASN A 91 3.675 11.957 -12.415 1.00 0.00 N ATOM 0 H ASN A 91 4.258 10.757 -8.188 1.00 0.00 H new ATOM 0 HA ASN A 91 3.501 9.401 -10.514 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.404 11.845 -10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.972 11.129 -10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.466 12.082 -13.406 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.125 12.450 -11.712 1.00 0.00 H new ATOM 1517 N GLN A 92 5.514 8.079 -11.424 1.00 0.00 N ATOM 1518 CA GLN A 92 6.477 7.038 -11.762 1.00 0.00 C ATOM 1519 C GLN A 92 7.543 7.571 -12.714 1.00 0.00 C ATOM 1520 O GLN A 92 8.634 7.012 -12.816 1.00 0.00 O ATOM 1521 CB GLN A 92 5.765 5.841 -12.396 1.00 0.00 C ATOM 1522 CG GLN A 92 4.684 5.240 -11.512 1.00 0.00 C ATOM 1523 CD GLN A 92 5.121 5.099 -10.067 1.00 0.00 C ATOM 1524 OE1 GLN A 92 6.229 4.641 -9.784 1.00 0.00 O ATOM 1525 NE2 GLN A 92 4.251 5.492 -9.144 1.00 0.00 N ATOM 0 H GLN A 92 4.898 8.349 -12.191 1.00 0.00 H new ATOM 0 HA GLN A 92 6.964 6.717 -10.841 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.319 6.152 -13.341 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.502 5.072 -12.629 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.793 5.866 -11.558 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.406 4.260 -11.900 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.344 5.865 -9.424 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.490 5.420 -8.155 1.00 0.00 H new ATOM 1534 N GLY A 93 7.220 8.657 -13.410 1.00 0.00 N ATOM 1535 CA GLY A 93 8.160 9.248 -14.344 1.00 0.00 C ATOM 1536 C GLY A 93 9.115 10.214 -13.672 1.00 0.00 C ATOM 1537 O GLY A 93 10.203 10.481 -14.182 1.00 0.00 O ATOM 0 H GLY A 93 6.323 9.138 -13.343 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.731 8.457 -14.830 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.610 9.771 -15.126 1.00 0.00 H new ATOM 1541 N THR A 94 8.707 10.746 -12.523 1.00 0.00 N ATOM 1542 CA THR A 94 9.532 11.691 -11.781 1.00 0.00 C ATOM 1543 C THR A 94 9.662 11.278 -10.320 1.00 0.00 C ATOM 1544 O THR A 94 10.671 11.558 -9.675 1.00 0.00 O ATOM 1545 CB THR A 94 8.952 13.117 -11.852 1.00 0.00 C ATOM 1546 OG1 THR A 94 7.957 13.291 -10.837 1.00 0.00 O ATOM 1547 CG2 THR A 94 8.344 13.388 -13.219 1.00 0.00 C ATOM 0 H THR A 94 7.809 10.538 -12.086 1.00 0.00 H new ATOM 0 HA THR A 94 10.518 11.684 -12.245 1.00 0.00 H new ATOM 0 HB THR A 94 9.765 13.825 -11.689 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.594 14.200 -10.887 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.941 14.401 -13.244 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.112 13.284 -13.986 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.542 12.674 -13.409 1.00 0.00 H new ATOM 1555 N GLY A 95 8.635 10.610 -9.804 1.00 0.00 N ATOM 1556 CA GLY A 95 8.656 10.169 -8.422 1.00 0.00 C ATOM 1557 C GLY A 95 8.263 11.270 -7.457 1.00 0.00 C ATOM 1558 O GLY A 95 8.630 11.237 -6.281 1.00 0.00 O ATOM 0 H GLY A 95 7.789 10.366 -10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.976 9.325 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.655 9.811 -8.173 1.00 0.00 H new ATOM 1562 N LYS A 96 7.515 12.251 -7.951 1.00 0.00 N ATOM 1563 CA LYS A 96 7.072 13.367 -7.126 1.00 0.00 C ATOM 1564 C LYS A 96 5.759 13.036 -6.422 1.00 0.00 C ATOM 1565 O LYS A 96 5.021 12.149 -6.850 1.00 0.00 O ATOM 1566 CB LYS A 96 6.900 14.625 -7.981 1.00 0.00 C ATOM 1567 CG LYS A 96 6.895 15.912 -7.176 1.00 0.00 C ATOM 1568 CD LYS A 96 7.000 17.132 -8.075 1.00 0.00 C ATOM 1569 CE LYS A 96 5.651 17.500 -8.676 1.00 0.00 C ATOM 1570 NZ LYS A 96 4.886 18.424 -7.794 1.00 0.00 N ATOM 0 H LYS A 96 7.203 12.295 -8.921 1.00 0.00 H new ATOM 0 HA LYS A 96 7.835 13.551 -6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.705 14.668 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.966 14.551 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.980 15.970 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.727 15.905 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.386 17.975 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.714 16.936 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.802 17.968 -9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.069 16.594 -8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.973 18.651 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.720 17.968 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.430 19.299 -7.653 1.00 0.00 H new ATOM 1584 N ASP A 97 5.475 13.755 -5.342 1.00 0.00 N ATOM 1585 CA ASP A 97 4.249 13.539 -4.580 1.00 0.00 C ATOM 1586 C ASP A 97 3.038 14.070 -5.339 1.00 0.00 C ATOM 1587 O ASP A 97 3.042 15.203 -5.822 1.00 0.00 O ATOM 1588 CB ASP A 97 4.348 14.216 -3.213 1.00 0.00 C ATOM 1589 CG ASP A 97 3.304 13.709 -2.238 1.00 0.00 C ATOM 1590 OD1 ASP A 97 2.164 13.444 -2.675 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.626 13.575 -1.039 1.00 0.00 O ATOM 0 H ASP A 97 6.076 14.492 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 97 4.123 12.466 -4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.341 14.046 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.234 15.293 -3.335 1.00 0.00 H new ATOM 1596 N LEU A 98 2.002 13.244 -5.441 1.00 0.00 N ATOM 1597 CA LEU A 98 0.781 13.630 -6.141 1.00 0.00 C ATOM 1598 C LEU A 98 -0.335 13.953 -5.154 1.00 0.00 C ATOM 1599 O LEU A 98 -1.285 14.662 -5.486 1.00 0.00 O ATOM 1600 CB LEU A 98 0.336 12.511 -7.084 1.00 0.00 C ATOM 1601 CG LEU A 98 1.387 12.010 -8.075 1.00 0.00 C ATOM 1602 CD1 LEU A 98 0.944 10.700 -8.706 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.652 13.058 -9.146 1.00 0.00 C ATOM 0 H LEU A 98 1.983 12.303 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 98 0.994 14.526 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.003 11.666 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.528 12.861 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 98 2.315 11.832 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.705 10.359 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.806 9.949 -7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.003 10.851 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.403 12.685 -9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.729 13.268 -9.686 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.015 13.973 -8.678 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.213 13.429 -3.938 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.210 13.665 -2.901 1.00 0.00 C ATOM 1617 C ASP A 99 -0.544 14.052 -1.584 1.00 0.00 C ATOM 1618 O ASP A 99 -0.446 13.253 -0.652 1.00 0.00 O ATOM 1619 CB ASP A 99 -2.075 12.418 -2.702 1.00 0.00 C ATOM 1620 CG ASP A 99 -3.274 12.681 -1.815 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -4.191 13.406 -2.256 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -3.298 12.162 -0.679 1.00 0.00 O ATOM 0 H ASP A 99 0.566 12.839 -3.647 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.844 14.491 -3.223 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.417 12.058 -3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.469 11.625 -2.263 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.074 15.305 -1.505 1.00 0.00 N ATOM 1628 CA PRO A 100 0.592 15.826 -0.308 1.00 0.00 C ATOM 1629 C PRO A 100 -0.372 16.011 0.859 1.00 0.00 C ATOM 1630 O PRO A 100 0.040 16.332 1.972 1.00 0.00 O ATOM 1631 CB PRO A 100 1.140 17.181 -0.768 1.00 0.00 C ATOM 1632 CG PRO A 100 0.252 17.585 -1.894 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.156 16.311 -2.578 1.00 0.00 C ATOM 0 HA PRO A 100 1.357 15.143 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.114 17.913 0.039 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.178 17.099 -1.092 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.620 18.128 -1.528 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.774 18.248 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.164 16.380 -2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.509 16.069 -3.407 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.658 15.805 0.595 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.682 15.948 1.623 1.00 0.00 C ATOM 1643 C ASN A 101 -2.714 14.724 2.533 1.00 0.00 C ATOM 1644 O ASN A 101 -2.741 14.849 3.758 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.056 16.155 0.980 1.00 0.00 C ATOM 1646 CG ASN A 101 -4.189 17.518 0.328 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -4.280 18.538 1.010 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -4.201 17.539 -0.999 1.00 0.00 N ATOM 0 H ASN A 101 -2.016 15.538 -0.322 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.435 16.822 2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.225 15.380 0.233 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.830 16.041 1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.288 18.426 -1.494 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.123 16.668 -1.524 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.709 13.542 1.927 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.738 12.294 2.682 1.00 0.00 C ATOM 1657 C ASN A 102 -4.121 12.052 3.281 1.00 0.00 C ATOM 1658 O ASN A 102 -4.245 11.631 4.431 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.686 12.323 3.793 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.422 13.048 3.374 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.415 12.497 2.661 1.00 0.00 O ATOM 1662 ND2 ASN A 102 -0.279 14.292 3.818 1.00 0.00 N ATOM 0 H ASN A 102 -2.685 13.421 0.914 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.511 11.477 1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.105 12.809 4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.437 11.302 4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.551 14.830 3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.999 14.709 4.407 1.00 0.00 H new ATOM 1669 N VAL A 103 -5.156 12.322 2.492 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.529 12.131 2.944 1.00 0.00 C ATOM 1671 C VAL A 103 -7.164 10.915 2.276 1.00 0.00 C ATOM 1672 O VAL A 103 -8.182 10.402 2.739 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.393 13.373 2.651 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -7.555 13.569 1.151 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -8.749 13.251 3.330 1.00 0.00 C ATOM 0 H VAL A 103 -5.070 12.673 1.538 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.489 11.970 4.021 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.887 14.250 3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -8.168 14.451 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.575 13.705 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.038 12.692 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.346 14.137 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.264 12.366 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.610 13.163 4.407 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.554 10.460 1.187 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.058 9.304 0.458 1.00 0.00 C ATOM 1687 C ILE A 104 -6.717 8.006 1.181 1.00 0.00 C ATOM 1688 O ILE A 104 -7.607 7.256 1.585 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.486 9.246 -0.971 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.060 10.383 -1.820 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -6.788 7.898 -1.609 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.261 11.664 -1.733 1.00 0.00 C ATOM 0 H ILE A 104 -5.710 10.874 0.791 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.141 9.414 0.404 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.404 9.367 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.104 10.062 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.084 10.581 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.377 7.873 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.336 7.104 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -7.867 7.750 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.725 12.426 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.238 12.009 -0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.243 11.482 -2.078 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.424 7.748 1.345 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.966 6.542 2.024 1.00 0.00 C ATOM 1706 C ILE A 105 -5.761 6.293 3.301 1.00 0.00 C ATOM 1707 O ILE A 105 -5.922 5.152 3.732 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.469 6.627 2.373 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.228 7.718 3.418 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.646 6.893 1.121 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.333 7.224 4.844 1.00 0.00 C ATOM 0 H ILE A 105 -4.675 8.358 1.017 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.124 5.713 1.334 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.155 5.672 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.238 8.146 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.950 8.521 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.590 6.950 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.798 6.084 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.960 7.836 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.150 8.051 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.331 6.822 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.593 6.442 5.014 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.259 7.370 3.901 1.00 0.00 N ATOM 1724 CA GLU A 106 -7.038 7.269 5.128 1.00 0.00 C ATOM 1725 C GLU A 106 -8.369 6.568 4.871 1.00 0.00 C ATOM 1726 O GLU A 106 -8.701 5.582 5.530 1.00 0.00 O ATOM 1727 CB GLU A 106 -7.288 8.659 5.717 1.00 0.00 C ATOM 1728 CG GLU A 106 -8.252 8.658 6.891 1.00 0.00 C ATOM 1729 CD GLU A 106 -7.559 8.405 8.215 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -6.882 9.326 8.718 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -7.694 7.284 8.750 1.00 0.00 O ATOM 0 H GLU A 106 -6.136 8.322 3.556 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.466 6.677 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.337 9.084 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.681 9.310 4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.768 9.617 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.012 7.893 6.731 1.00 0.00 H new