USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 582 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 54 SER OG : rot 100:sc= -1.43 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.682 X(o=-2.1,f=-2.4) USER MOD Set 2.1: A 28 SER OG : rot 177:sc=-0.00471 USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= -0.0228 USER MOD Set 3.1: A 38 THR OG1 : rot -92:sc= -1.15 USER MOD Set 3.2: A 42 LYS NZ :NH3+ 155:sc= 0.501 (180deg=-0.503) USER MOD Single : A 15 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.66) USER MOD Single : A 17 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.44) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.86 K(o=-1.9,f=-2.6) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00885) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.759 K(o=-0.76,f=-1.6) USER MOD Single : A 41 SER OG : rot 180:sc= -0.842 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.29) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.49 K(o=-1.5,f=-3!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -173:sc= -1.22 (180deg=-1.46) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.655 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 -1.529 17.908 -7.633 1.00 0.00 N ATOM 217 CA ASN A 15 -2.283 17.084 -6.696 1.00 0.00 C ATOM 218 C ASN A 15 -1.491 16.855 -5.413 1.00 0.00 C ATOM 219 O ASN A 15 -0.344 17.286 -5.294 1.00 0.00 O ATOM 220 CB ASN A 15 -2.636 15.740 -7.337 1.00 0.00 C ATOM 221 CG ASN A 15 -1.455 15.111 -8.050 1.00 0.00 C ATOM 222 OD1 ASN A 15 -0.970 15.634 -9.053 1.00 0.00 O ATOM 223 ND2 ASN A 15 -0.985 13.981 -7.533 1.00 0.00 N ATOM 0 HA ASN A 15 -3.203 17.613 -6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.998 15.058 -6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.451 15.882 -8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.191 13.512 -7.969 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.418 13.583 -6.700 1.00 0.00 H new ATOM 230 N ASP A 16 -2.111 16.175 -4.455 1.00 0.00 N ATOM 231 CA ASP A 16 -1.464 15.887 -3.180 1.00 0.00 C ATOM 232 C ASP A 16 -0.490 14.721 -3.316 1.00 0.00 C ATOM 233 O ASP A 16 -0.488 14.015 -4.325 1.00 0.00 O ATOM 234 CB ASP A 16 -2.511 15.572 -2.111 1.00 0.00 C ATOM 235 CG ASP A 16 -3.009 16.816 -1.403 1.00 0.00 C ATOM 236 OD1 ASP A 16 -2.355 17.246 -0.430 1.00 0.00 O ATOM 237 OD2 ASP A 16 -4.053 17.360 -1.821 1.00 0.00 O ATOM 0 H ASP A 16 -3.061 15.813 -4.537 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.903 16.772 -2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.354 15.058 -2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.083 14.887 -1.379 1.00 0.00 H new ATOM 242 N HIS A 17 0.337 14.525 -2.294 1.00 0.00 N ATOM 243 CA HIS A 17 1.316 13.444 -2.299 1.00 0.00 C ATOM 244 C HIS A 17 1.782 13.126 -0.882 1.00 0.00 C ATOM 245 O HIS A 17 2.443 13.941 -0.238 1.00 0.00 O ATOM 246 CB HIS A 17 2.515 13.818 -3.171 1.00 0.00 C ATOM 247 CG HIS A 17 3.059 15.185 -2.888 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.165 15.405 -2.095 1.00 0.00 N ATOM 249 CD2 HIS A 17 2.642 16.405 -3.298 1.00 0.00 C ATOM 250 CE1 HIS A 17 4.405 16.703 -2.029 1.00 0.00 C ATOM 251 NE2 HIS A 17 3.495 17.332 -2.750 1.00 0.00 N ATOM 0 H HIS A 17 0.349 15.101 -1.452 1.00 0.00 H new ATOM 0 HA HIS A 17 0.838 12.556 -2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.306 13.083 -3.021 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.223 13.762 -4.220 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.796 16.612 -3.937 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.209 17.170 -1.479 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.435 18.342 -2.879 1.00 0.00 H new ATOM 259 N ILE A 18 1.434 11.936 -0.402 1.00 0.00 N ATOM 260 CA ILE A 18 1.817 11.512 0.938 1.00 0.00 C ATOM 261 C ILE A 18 2.728 10.289 0.888 1.00 0.00 C ATOM 262 O ILE A 18 3.172 9.877 -0.182 1.00 0.00 O ATOM 263 CB ILE A 18 0.583 11.183 1.799 1.00 0.00 C ATOM 264 CG1 ILE A 18 -0.037 9.857 1.356 1.00 0.00 C ATOM 265 CG2 ILE A 18 -0.438 12.308 1.711 1.00 0.00 C ATOM 266 CD1 ILE A 18 -1.280 9.482 2.132 1.00 0.00 C ATOM 0 H ILE A 18 0.888 11.249 -0.922 1.00 0.00 H new ATOM 0 HA ILE A 18 2.354 12.345 1.391 1.00 0.00 H new ATOM 0 HB ILE A 18 0.898 11.085 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.284 9.917 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.703 9.064 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.305 12.062 2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.010 13.235 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.751 12.435 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.665 8.531 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.034 9.389 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.037 10.255 2.002 1.00 0.00 H new ATOM 278 N ASN A 19 3.000 9.713 2.055 1.00 0.00 N ATOM 279 CA ASN A 19 3.857 8.536 2.144 1.00 0.00 C ATOM 280 C ASN A 19 3.174 7.426 2.937 1.00 0.00 C ATOM 281 O ASN A 19 2.446 7.689 3.895 1.00 0.00 O ATOM 282 CB ASN A 19 5.191 8.900 2.799 1.00 0.00 C ATOM 283 CG ASN A 19 6.349 8.099 2.235 1.00 0.00 C ATOM 284 OD1 ASN A 19 7.054 8.556 1.335 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.549 6.897 2.762 1.00 0.00 N ATOM 0 H ASN A 19 2.640 10.042 2.951 1.00 0.00 H new ATOM 0 HA ASN A 19 4.043 8.174 1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.385 9.963 2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.124 8.729 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.312 6.312 2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.940 6.559 3.507 1.00 0.00 H new ATOM 292 N LEU A 20 3.415 6.184 2.533 1.00 0.00 N ATOM 293 CA LEU A 20 2.825 5.032 3.205 1.00 0.00 C ATOM 294 C LEU A 20 3.779 3.842 3.186 1.00 0.00 C ATOM 295 O LEU A 20 4.573 3.684 2.258 1.00 0.00 O ATOM 296 CB LEU A 20 1.502 4.650 2.540 1.00 0.00 C ATOM 297 CG LEU A 20 0.246 5.304 3.118 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.988 4.866 2.345 1.00 0.00 C ATOM 299 CD2 LEU A 20 0.101 4.967 4.594 1.00 0.00 C ATOM 0 H LEU A 20 4.015 5.949 1.743 1.00 0.00 H new ATOM 0 HA LEU A 20 2.637 5.306 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.564 4.903 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.386 3.568 2.603 1.00 0.00 H new ATOM 0 HG LEU A 20 0.345 6.385 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.872 5.341 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.886 5.159 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.092 3.783 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.798 5.441 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.025 3.886 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.972 5.332 5.138 1.00 0.00 H new ATOM 311 N LYS A 21 3.695 3.005 4.215 1.00 0.00 N ATOM 312 CA LYS A 21 4.548 1.827 4.315 1.00 0.00 C ATOM 313 C LYS A 21 3.744 0.610 4.762 1.00 0.00 C ATOM 314 O LYS A 21 3.314 0.525 5.912 1.00 0.00 O ATOM 315 CB LYS A 21 5.693 2.083 5.298 1.00 0.00 C ATOM 316 CG LYS A 21 6.314 3.462 5.161 1.00 0.00 C ATOM 317 CD LYS A 21 7.760 3.472 5.629 1.00 0.00 C ATOM 318 CE LYS A 21 7.859 3.719 7.127 1.00 0.00 C ATOM 319 NZ LYS A 21 9.173 4.309 7.506 1.00 0.00 N ATOM 0 H LYS A 21 3.044 3.121 4.992 1.00 0.00 H new ATOM 0 HA LYS A 21 4.963 1.625 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.322 1.960 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.466 1.329 5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.265 3.782 4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.737 4.181 5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.229 2.519 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.311 4.245 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.057 4.388 7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.715 2.779 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.201 4.462 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.937 3.659 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.299 5.218 7.017 1.00 0.00 H new ATOM 333 N VAL A 22 3.544 -0.331 3.844 1.00 0.00 N ATOM 334 CA VAL A 22 2.794 -1.545 4.144 1.00 0.00 C ATOM 335 C VAL A 22 3.711 -2.640 4.676 1.00 0.00 C ATOM 336 O VAL A 22 4.458 -3.260 3.920 1.00 0.00 O ATOM 337 CB VAL A 22 2.054 -2.070 2.900 1.00 0.00 C ATOM 338 CG1 VAL A 22 1.124 -3.213 3.274 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.285 -0.945 2.224 1.00 0.00 C ATOM 0 H VAL A 22 3.891 -0.276 2.886 1.00 0.00 H new ATOM 0 HA VAL A 22 2.063 -1.284 4.909 1.00 0.00 H new ATOM 0 HB VAL A 22 2.792 -2.451 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.610 -3.571 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.704 -4.027 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.390 -2.862 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.768 -1.334 1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.556 -0.532 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.979 -0.162 1.919 1.00 0.00 H new ATOM 349 N ALA A 23 3.649 -2.874 5.983 1.00 0.00 N ATOM 350 CA ALA A 23 4.472 -3.897 6.617 1.00 0.00 C ATOM 351 C ALA A 23 3.633 -4.792 7.523 1.00 0.00 C ATOM 352 O ALA A 23 2.896 -4.308 8.380 1.00 0.00 O ATOM 353 CB ALA A 23 5.600 -3.251 7.407 1.00 0.00 C ATOM 0 H ALA A 23 3.037 -2.369 6.624 1.00 0.00 H new ATOM 0 HA ALA A 23 4.903 -4.520 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.207 -4.026 7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.222 -2.659 6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.181 -2.604 8.177 1.00 0.00 H new ATOM 359 N GLY A 24 3.752 -6.102 7.326 1.00 0.00 N ATOM 360 CA GLY A 24 2.999 -7.044 8.133 1.00 0.00 C ATOM 361 C GLY A 24 3.775 -7.522 9.343 1.00 0.00 C ATOM 362 O GLY A 24 4.992 -7.694 9.279 1.00 0.00 O ATOM 0 H GLY A 24 4.356 -6.527 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.072 -6.575 8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.722 -7.902 7.521 1.00 0.00 H new ATOM 366 N GLN A 25 3.071 -7.736 10.450 1.00 0.00 N ATOM 367 CA GLN A 25 3.704 -8.195 11.681 1.00 0.00 C ATOM 368 C GLN A 25 4.394 -9.539 11.470 1.00 0.00 C ATOM 369 O GLN A 25 5.253 -9.937 12.257 1.00 0.00 O ATOM 370 CB GLN A 25 2.667 -8.310 12.800 1.00 0.00 C ATOM 371 CG GLN A 25 3.202 -8.976 14.058 1.00 0.00 C ATOM 372 CD GLN A 25 3.091 -10.487 14.011 1.00 0.00 C ATOM 373 OE1 GLN A 25 2.097 -11.033 13.532 1.00 0.00 O ATOM 374 NE2 GLN A 25 4.113 -11.172 14.509 1.00 0.00 N ATOM 0 H GLN A 25 2.063 -7.599 10.520 1.00 0.00 H new ATOM 0 HA GLN A 25 4.458 -7.462 11.968 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.305 -7.313 13.052 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.811 -8.877 12.434 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.246 -8.696 14.196 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.655 -8.602 14.923 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.917 -10.679 14.896 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.094 -12.192 14.504 1.00 0.00 H new ATOM 383 N ASP A 26 4.012 -10.233 10.404 1.00 0.00 N ATOM 384 CA ASP A 26 4.595 -11.533 10.090 1.00 0.00 C ATOM 385 C ASP A 26 5.961 -11.371 9.431 1.00 0.00 C ATOM 386 O ASP A 26 6.993 -11.632 10.047 1.00 0.00 O ATOM 387 CB ASP A 26 3.663 -12.324 9.171 1.00 0.00 C ATOM 388 CG ASP A 26 2.393 -12.764 9.873 1.00 0.00 C ATOM 389 OD1 ASP A 26 2.124 -12.259 10.983 1.00 0.00 O ATOM 390 OD2 ASP A 26 1.669 -13.613 9.313 1.00 0.00 O ATOM 0 H ASP A 26 3.302 -9.918 9.743 1.00 0.00 H new ATOM 0 HA ASP A 26 4.724 -12.081 11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.404 -11.712 8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.188 -13.201 8.794 1.00 0.00 H new ATOM 395 N GLY A 27 5.959 -10.939 8.173 1.00 0.00 N ATOM 396 CA GLY A 27 7.204 -10.750 7.452 1.00 0.00 C ATOM 397 C GLY A 27 7.020 -9.953 6.176 1.00 0.00 C ATOM 398 O GLY A 27 7.361 -10.420 5.089 1.00 0.00 O ATOM 0 H GLY A 27 5.118 -10.717 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.919 -10.239 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.632 -11.723 7.210 1.00 0.00 H new ATOM 402 N SER A 28 6.476 -8.747 6.307 1.00 0.00 N ATOM 403 CA SER A 28 6.242 -7.885 5.154 1.00 0.00 C ATOM 404 C SER A 28 6.592 -6.436 5.479 1.00 0.00 C ATOM 405 O SER A 28 6.477 -5.999 6.624 1.00 0.00 O ATOM 406 CB SER A 28 4.781 -7.981 4.708 1.00 0.00 C ATOM 407 OG SER A 28 4.398 -6.834 3.968 1.00 0.00 O ATOM 0 H SER A 28 6.189 -8.345 7.199 1.00 0.00 H new ATOM 0 HA SER A 28 6.886 -8.223 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.641 -8.874 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.137 -8.086 5.581 1.00 0.00 H new ATOM 0 HG SER A 28 3.476 -6.940 3.654 1.00 0.00 H new ATOM 413 N VAL A 29 7.022 -5.696 4.462 1.00 0.00 N ATOM 414 CA VAL A 29 7.389 -4.296 4.637 1.00 0.00 C ATOM 415 C VAL A 29 7.792 -3.663 3.310 1.00 0.00 C ATOM 416 O VAL A 29 8.783 -4.058 2.696 1.00 0.00 O ATOM 417 CB VAL A 29 8.548 -4.141 5.640 1.00 0.00 C ATOM 418 CG1 VAL A 29 9.729 -5.008 5.230 1.00 0.00 C ATOM 419 CG2 VAL A 29 8.962 -2.681 5.753 1.00 0.00 C ATOM 0 H VAL A 29 7.125 -6.043 3.508 1.00 0.00 H new ATOM 0 HA VAL A 29 6.509 -3.785 5.027 1.00 0.00 H new ATOM 0 HB VAL A 29 8.205 -4.475 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.538 -4.885 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.421 -6.053 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.075 -4.707 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.782 -2.589 6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.287 -2.318 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.114 -2.088 6.097 1.00 0.00 H new ATOM 429 N VAL A 30 7.016 -2.676 2.872 1.00 0.00 N ATOM 430 CA VAL A 30 7.292 -1.986 1.617 1.00 0.00 C ATOM 431 C VAL A 30 6.809 -0.541 1.667 1.00 0.00 C ATOM 432 O VAL A 30 5.750 -0.250 2.222 1.00 0.00 O ATOM 433 CB VAL A 30 6.624 -2.699 0.426 1.00 0.00 C ATOM 434 CG1 VAL A 30 5.139 -2.895 0.686 1.00 0.00 C ATOM 435 CG2 VAL A 30 6.851 -1.915 -0.858 1.00 0.00 C ATOM 0 H VAL A 30 6.192 -2.337 3.368 1.00 0.00 H new ATOM 0 HA VAL A 30 8.373 -2.000 1.479 1.00 0.00 H new ATOM 0 HB VAL A 30 7.080 -3.682 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.684 -3.400 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.003 -3.501 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.663 -1.925 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.373 -2.432 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.422 -0.918 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.921 -1.832 -1.049 1.00 0.00 H new ATOM 445 N GLN A 31 7.592 0.359 1.082 1.00 0.00 N ATOM 446 CA GLN A 31 7.243 1.775 1.060 1.00 0.00 C ATOM 447 C GLN A 31 6.647 2.168 -0.287 1.00 0.00 C ATOM 448 O GLN A 31 6.988 1.591 -1.320 1.00 0.00 O ATOM 449 CB GLN A 31 8.477 2.630 1.355 1.00 0.00 C ATOM 450 CG GLN A 31 9.300 2.126 2.529 1.00 0.00 C ATOM 451 CD GLN A 31 10.409 3.084 2.918 1.00 0.00 C ATOM 452 OE1 GLN A 31 10.681 4.057 2.213 1.00 0.00 O ATOM 453 NE2 GLN A 31 11.058 2.813 4.044 1.00 0.00 N ATOM 0 H GLN A 31 8.472 0.134 0.617 1.00 0.00 H new ATOM 0 HA GLN A 31 6.494 1.951 1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.108 2.661 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.160 3.653 1.557 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.645 1.967 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.733 1.158 2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.800 1.996 4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.815 3.422 4.356 1.00 0.00 H new ATOM 462 N PHE A 32 5.756 3.153 -0.270 1.00 0.00 N ATOM 463 CA PHE A 32 5.111 3.623 -1.491 1.00 0.00 C ATOM 464 C PHE A 32 4.749 5.101 -1.381 1.00 0.00 C ATOM 465 O PHE A 32 4.808 5.688 -0.300 1.00 0.00 O ATOM 466 CB PHE A 32 3.855 2.798 -1.779 1.00 0.00 C ATOM 467 CG PHE A 32 4.006 1.863 -2.945 1.00 0.00 C ATOM 468 CD1 PHE A 32 4.579 0.613 -2.777 1.00 0.00 C ATOM 469 CD2 PHE A 32 3.576 2.235 -4.208 1.00 0.00 C ATOM 470 CE1 PHE A 32 4.719 -0.250 -3.848 1.00 0.00 C ATOM 471 CE2 PHE A 32 3.713 1.377 -5.283 1.00 0.00 C ATOM 472 CZ PHE A 32 4.287 0.133 -5.103 1.00 0.00 C ATOM 0 H PHE A 32 5.464 3.642 0.576 1.00 0.00 H new ATOM 0 HA PHE A 32 5.815 3.500 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.598 2.220 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.022 3.474 -1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.920 0.309 -1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.128 3.207 -4.355 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.166 -1.223 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.372 1.678 -6.262 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.398 -0.538 -5.942 1.00 0.00 H new ATOM 482 N LYS A 33 4.373 5.697 -2.507 1.00 0.00 N ATOM 483 CA LYS A 33 3.999 7.106 -2.539 1.00 0.00 C ATOM 484 C LYS A 33 2.760 7.321 -3.403 1.00 0.00 C ATOM 485 O LYS A 33 2.687 6.833 -4.531 1.00 0.00 O ATOM 486 CB LYS A 33 5.159 7.950 -3.074 1.00 0.00 C ATOM 487 CG LYS A 33 5.642 7.519 -4.447 1.00 0.00 C ATOM 488 CD LYS A 33 7.095 7.902 -4.673 1.00 0.00 C ATOM 489 CE LYS A 33 7.568 7.504 -6.063 1.00 0.00 C ATOM 490 NZ LYS A 33 7.006 8.394 -7.116 1.00 0.00 N ATOM 0 H LYS A 33 4.319 5.226 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 33 3.769 7.418 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.847 8.994 -3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.991 7.896 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.529 6.440 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.020 7.980 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.213 8.978 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.721 7.419 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.657 7.540 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.276 6.473 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.379 8.111 -8.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.969 8.315 -7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.277 9.379 -6.919 1.00 0.00 H new ATOM 504 N ILE A 34 1.791 8.055 -2.867 1.00 0.00 N ATOM 505 CA ILE A 34 0.557 8.336 -3.590 1.00 0.00 C ATOM 506 C ILE A 34 -0.129 9.582 -3.043 1.00 0.00 C ATOM 507 O ILE A 34 0.165 10.031 -1.935 1.00 0.00 O ATOM 508 CB ILE A 34 -0.422 7.149 -3.515 1.00 0.00 C ATOM 509 CG1 ILE A 34 -1.435 7.222 -4.660 1.00 0.00 C ATOM 510 CG2 ILE A 34 -1.134 7.135 -2.171 1.00 0.00 C ATOM 511 CD1 ILE A 34 -1.770 5.874 -5.257 1.00 0.00 C ATOM 0 H ILE A 34 1.837 8.466 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 34 0.832 8.504 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 34 0.144 6.223 -3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.351 7.686 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.040 7.869 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.822 6.291 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.400 7.041 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.691 8.063 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.493 6.002 -6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.864 5.416 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.195 5.230 -4.487 1.00 0.00 H new ATOM 523 N LYS A 35 -1.047 10.138 -3.827 1.00 0.00 N ATOM 524 CA LYS A 35 -1.780 11.332 -3.421 1.00 0.00 C ATOM 525 C LYS A 35 -2.607 11.063 -2.168 1.00 0.00 C ATOM 526 O LYS A 35 -2.491 10.003 -1.552 1.00 0.00 O ATOM 527 CB LYS A 35 -2.691 11.806 -4.555 1.00 0.00 C ATOM 528 CG LYS A 35 -3.730 10.779 -4.970 1.00 0.00 C ATOM 529 CD LYS A 35 -4.467 11.208 -6.228 1.00 0.00 C ATOM 530 CE LYS A 35 -3.597 11.047 -7.466 1.00 0.00 C ATOM 531 NZ LYS A 35 -3.751 9.700 -8.081 1.00 0.00 N ATOM 0 H LYS A 35 -1.301 9.781 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.055 12.114 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.199 12.719 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.078 12.061 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.245 9.818 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.445 10.635 -4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.374 10.614 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.777 12.249 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.860 11.812 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.552 11.207 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.142 9.630 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.476 8.971 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.743 9.557 -8.359 1.00 0.00 H new ATOM 545 N ARG A 36 -3.442 12.028 -1.798 1.00 0.00 N ATOM 546 CA ARG A 36 -4.289 11.895 -0.618 1.00 0.00 C ATOM 547 C ARG A 36 -5.679 11.394 -1.001 1.00 0.00 C ATOM 548 O ARG A 36 -6.392 10.820 -0.177 1.00 0.00 O ATOM 549 CB ARG A 36 -4.400 13.236 0.110 1.00 0.00 C ATOM 550 CG ARG A 36 -5.353 13.208 1.294 1.00 0.00 C ATOM 551 CD ARG A 36 -5.579 14.602 1.859 1.00 0.00 C ATOM 552 NE ARG A 36 -5.789 14.579 3.304 1.00 0.00 N ATOM 553 CZ ARG A 36 -6.372 15.564 3.978 1.00 0.00 C ATOM 554 NH1 ARG A 36 -6.802 16.644 3.340 1.00 0.00 N ATOM 555 NH2 ARG A 36 -6.527 15.469 5.292 1.00 0.00 N ATOM 0 H ARG A 36 -3.550 12.910 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.830 11.165 0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.411 13.534 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.733 13.997 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.307 12.780 0.985 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.950 12.560 2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.719 15.231 1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.444 15.054 1.374 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.470 13.762 3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.685 16.720 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.249 17.399 3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.198 14.639 5.786 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.975 16.226 5.809 1.00 0.00 H new ATOM 569 N HIS A 37 -6.058 11.617 -2.255 1.00 0.00 N ATOM 570 CA HIS A 37 -7.362 11.188 -2.747 1.00 0.00 C ATOM 571 C HIS A 37 -7.213 10.108 -3.814 1.00 0.00 C ATOM 572 O HIS A 37 -7.644 10.282 -4.955 1.00 0.00 O ATOM 573 CB HIS A 37 -8.133 12.380 -3.316 1.00 0.00 C ATOM 574 CG HIS A 37 -7.311 13.250 -4.216 1.00 0.00 C ATOM 575 ND1 HIS A 37 -6.498 14.261 -3.749 1.00 0.00 N ATOM 576 CD2 HIS A 37 -7.178 13.255 -5.563 1.00 0.00 C ATOM 577 CE1 HIS A 37 -5.903 14.851 -4.770 1.00 0.00 C ATOM 578 NE2 HIS A 37 -6.298 14.259 -5.882 1.00 0.00 N ATOM 0 H HIS A 37 -5.481 12.092 -2.949 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.919 10.770 -1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -8.997 12.013 -3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -8.515 12.982 -2.492 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.672 12.592 -6.258 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.211 15.678 -4.706 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.998 14.507 -6.825 1.00 0.00 H new ATOM 586 N THR A 38 -6.598 8.991 -3.437 1.00 0.00 N ATOM 587 CA THR A 38 -6.390 7.884 -4.361 1.00 0.00 C ATOM 588 C THR A 38 -7.255 6.686 -3.988 1.00 0.00 C ATOM 589 O THR A 38 -7.445 6.368 -2.814 1.00 0.00 O ATOM 590 CB THR A 38 -4.913 7.447 -4.391 1.00 0.00 C ATOM 591 OG1 THR A 38 -4.642 6.717 -5.592 1.00 0.00 O ATOM 592 CG2 THR A 38 -4.579 6.585 -3.182 1.00 0.00 C ATOM 0 H THR A 38 -6.235 8.830 -2.497 1.00 0.00 H new ATOM 0 HA THR A 38 -6.676 8.241 -5.350 1.00 0.00 H new ATOM 0 HB THR A 38 -4.292 8.342 -4.363 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.772 5.759 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.531 6.288 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.758 7.153 -2.269 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.208 5.695 -3.185 1.00 0.00 H new ATOM 600 N PRO A 39 -7.793 6.002 -5.009 1.00 0.00 N ATOM 601 CA PRO A 39 -8.647 4.827 -4.812 1.00 0.00 C ATOM 602 C PRO A 39 -7.867 3.625 -4.291 1.00 0.00 C ATOM 603 O PRO A 39 -7.045 3.048 -5.004 1.00 0.00 O ATOM 604 CB PRO A 39 -9.190 4.544 -6.215 1.00 0.00 C ATOM 605 CG PRO A 39 -8.173 5.121 -7.138 1.00 0.00 C ATOM 606 CD PRO A 39 -7.610 6.324 -6.434 1.00 0.00 C ATOM 0 HA PRO A 39 -9.423 5.007 -4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.315 3.474 -6.383 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.166 5.006 -6.362 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.390 4.396 -7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.624 5.402 -8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.559 6.478 -6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.139 7.236 -6.711 1.00 0.00 H new ATOM 614 N LEU A 40 -8.130 3.251 -3.044 1.00 0.00 N ATOM 615 CA LEU A 40 -7.453 2.116 -2.426 1.00 0.00 C ATOM 616 C LEU A 40 -7.543 0.879 -3.315 1.00 0.00 C ATOM 617 O LEU A 40 -6.711 -0.024 -3.225 1.00 0.00 O ATOM 618 CB LEU A 40 -8.061 1.818 -1.055 1.00 0.00 C ATOM 619 CG LEU A 40 -7.526 2.651 0.111 1.00 0.00 C ATOM 620 CD1 LEU A 40 -8.259 2.301 1.397 1.00 0.00 C ATOM 621 CD2 LEU A 40 -6.028 2.440 0.275 1.00 0.00 C ATOM 0 H LEU A 40 -8.807 3.717 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.402 2.376 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.139 1.967 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.897 0.764 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.702 3.704 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.865 2.903 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.323 2.504 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.115 1.244 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.665 3.041 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.828 1.387 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.516 2.741 -0.639 1.00 0.00 H new ATOM 633 N SER A 41 -8.558 0.846 -4.173 1.00 0.00 N ATOM 634 CA SER A 41 -8.758 -0.281 -5.076 1.00 0.00 C ATOM 635 C SER A 41 -7.457 -0.649 -5.782 1.00 0.00 C ATOM 636 O SER A 41 -6.964 -1.771 -5.657 1.00 0.00 O ATOM 637 CB SER A 41 -9.835 0.053 -6.111 1.00 0.00 C ATOM 638 OG SER A 41 -9.503 1.226 -6.832 1.00 0.00 O ATOM 0 H SER A 41 -9.254 1.586 -4.262 1.00 0.00 H new ATOM 0 HA SER A 41 -9.085 -1.136 -4.484 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.951 -0.782 -6.802 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.794 0.189 -5.611 1.00 0.00 H new ATOM 0 HG SER A 41 -10.206 1.417 -7.488 1.00 0.00 H new ATOM 644 N LYS A 42 -6.903 0.303 -6.525 1.00 0.00 N ATOM 645 CA LYS A 42 -5.658 0.082 -7.250 1.00 0.00 C ATOM 646 C LYS A 42 -4.581 -0.475 -6.326 1.00 0.00 C ATOM 647 O LYS A 42 -3.688 -1.202 -6.763 1.00 0.00 O ATOM 648 CB LYS A 42 -5.175 1.389 -7.885 1.00 0.00 C ATOM 649 CG LYS A 42 -4.973 2.513 -6.884 1.00 0.00 C ATOM 650 CD LYS A 42 -3.631 3.198 -7.079 1.00 0.00 C ATOM 651 CE LYS A 42 -3.615 4.042 -8.345 1.00 0.00 C ATOM 652 NZ LYS A 42 -4.321 5.339 -8.155 1.00 0.00 N ATOM 0 H LYS A 42 -7.298 1.236 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.849 -0.648 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.236 1.205 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.898 1.708 -8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.775 3.244 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.036 2.115 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.415 3.829 -6.217 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.842 2.447 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.584 4.230 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.086 3.488 -9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.952 6.038 -8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.340 5.206 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.165 5.680 -7.185 1.00 0.00 H new ATOM 666 N LEU A 43 -4.671 -0.130 -5.046 1.00 0.00 N ATOM 667 CA LEU A 43 -3.704 -0.598 -4.058 1.00 0.00 C ATOM 668 C LEU A 43 -3.941 -2.065 -3.716 1.00 0.00 C ATOM 669 O LEU A 43 -3.097 -2.919 -3.986 1.00 0.00 O ATOM 670 CB LEU A 43 -3.789 0.253 -2.790 1.00 0.00 C ATOM 671 CG LEU A 43 -2.512 0.341 -1.953 1.00 0.00 C ATOM 672 CD1 LEU A 43 -1.387 0.968 -2.761 1.00 0.00 C ATOM 673 CD2 LEU A 43 -2.762 1.134 -0.679 1.00 0.00 C ATOM 0 H LEU A 43 -5.403 0.472 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.707 -0.501 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.084 1.263 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.585 -0.146 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.213 -0.670 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.486 1.023 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.190 0.359 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.677 1.972 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.842 1.186 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.086 2.142 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.537 0.643 -0.091 1.00 0.00 H new ATOM 685 N MET A 44 -5.095 -2.350 -3.123 1.00 0.00 N ATOM 686 CA MET A 44 -5.444 -3.716 -2.747 1.00 0.00 C ATOM 687 C MET A 44 -5.295 -4.661 -3.935 1.00 0.00 C ATOM 688 O MET A 44 -4.718 -5.742 -3.814 1.00 0.00 O ATOM 689 CB MET A 44 -6.877 -3.770 -2.214 1.00 0.00 C ATOM 690 CG MET A 44 -7.371 -5.182 -1.943 1.00 0.00 C ATOM 691 SD MET A 44 -9.018 -5.212 -1.209 1.00 0.00 S ATOM 692 CE MET A 44 -9.944 -6.053 -2.491 1.00 0.00 C ATOM 0 H MET A 44 -5.804 -1.654 -2.892 1.00 0.00 H new ATOM 0 HA MET A 44 -4.760 -4.037 -1.962 1.00 0.00 H new ATOM 0 HB2 MET A 44 -6.936 -3.190 -1.293 1.00 0.00 H new ATOM 0 HB3 MET A 44 -7.542 -3.293 -2.934 1.00 0.00 H new ATOM 0 HG2 MET A 44 -7.383 -5.744 -2.877 1.00 0.00 H new ATOM 0 HG3 MET A 44 -6.671 -5.686 -1.277 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.986 -6.149 -2.184 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.889 -5.479 -3.416 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.521 -7.044 -2.654 1.00 0.00 H new ATOM 702 N LYS A 45 -5.820 -4.247 -5.084 1.00 0.00 N ATOM 703 CA LYS A 45 -5.745 -5.056 -6.295 1.00 0.00 C ATOM 704 C LYS A 45 -4.313 -5.515 -6.555 1.00 0.00 C ATOM 705 O LYS A 45 -4.038 -6.712 -6.622 1.00 0.00 O ATOM 706 CB LYS A 45 -6.264 -4.262 -7.496 1.00 0.00 C ATOM 707 CG LYS A 45 -6.601 -5.128 -8.698 1.00 0.00 C ATOM 708 CD LYS A 45 -7.138 -4.297 -9.850 1.00 0.00 C ATOM 709 CE LYS A 45 -6.927 -4.994 -11.186 1.00 0.00 C ATOM 710 NZ LYS A 45 -7.564 -4.249 -12.307 1.00 0.00 N ATOM 0 H LYS A 45 -6.302 -3.356 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.370 -5.938 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.154 -3.708 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.513 -3.527 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.710 -5.667 -9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.340 -5.877 -8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.201 -4.110 -9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.642 -3.327 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.859 -5.095 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.340 -6.002 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.398 -4.756 -13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.587 -4.174 -12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.153 -3.296 -12.369 1.00 0.00 H new ATOM 724 N ALA A 46 -3.406 -4.554 -6.700 1.00 0.00 N ATOM 725 CA ALA A 46 -2.003 -4.860 -6.949 1.00 0.00 C ATOM 726 C ALA A 46 -1.412 -5.690 -5.815 1.00 0.00 C ATOM 727 O ALA A 46 -0.749 -6.700 -6.051 1.00 0.00 O ATOM 728 CB ALA A 46 -1.208 -3.576 -7.137 1.00 0.00 C ATOM 0 H ALA A 46 -3.618 -3.558 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.942 -5.449 -7.864 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.162 -3.820 -7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.607 -3.022 -7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.285 -2.966 -6.237 1.00 0.00 H new ATOM 734 N TYR A 47 -1.656 -5.257 -4.583 1.00 0.00 N ATOM 735 CA TYR A 47 -1.144 -5.958 -3.411 1.00 0.00 C ATOM 736 C TYR A 47 -1.459 -7.449 -3.488 1.00 0.00 C ATOM 737 O TYR A 47 -0.560 -8.278 -3.636 1.00 0.00 O ATOM 738 CB TYR A 47 -1.742 -5.365 -2.134 1.00 0.00 C ATOM 739 CG TYR A 47 -0.890 -5.589 -0.906 1.00 0.00 C ATOM 740 CD1 TYR A 47 0.418 -5.123 -0.849 1.00 0.00 C ATOM 741 CD2 TYR A 47 -1.393 -6.265 0.199 1.00 0.00 C ATOM 742 CE1 TYR A 47 1.200 -5.326 0.272 1.00 0.00 C ATOM 743 CE2 TYR A 47 -0.618 -6.472 1.324 1.00 0.00 C ATOM 744 CZ TYR A 47 0.678 -6.001 1.355 1.00 0.00 C ATOM 745 OH TYR A 47 1.453 -6.204 2.474 1.00 0.00 O ATOM 0 H TYR A 47 -2.205 -4.424 -4.370 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.061 -5.834 -3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.888 -4.294 -2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.727 -5.801 -1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.830 -4.593 -1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.407 -6.635 0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.215 -4.958 0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.025 -7.000 2.174 1.00 0.00 H new ATOM 0 HH TYR A 47 0.935 -6.695 3.146 1.00 0.00 H new ATOM 755 N CYS A 48 -2.741 -7.782 -3.388 1.00 0.00 N ATOM 756 CA CYS A 48 -3.177 -9.173 -3.446 1.00 0.00 C ATOM 757 C CYS A 48 -2.595 -9.874 -4.669 1.00 0.00 C ATOM 758 O CYS A 48 -2.258 -11.056 -4.617 1.00 0.00 O ATOM 759 CB CYS A 48 -4.704 -9.250 -3.478 1.00 0.00 C ATOM 760 SG CYS A 48 -5.496 -8.844 -1.904 1.00 0.00 S ATOM 0 H CYS A 48 -3.497 -7.108 -3.266 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.814 -9.679 -2.552 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.075 -8.571 -4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.000 -10.257 -3.773 1.00 0.00 H new ATOM 0 HG CYS A 48 -6.787 -8.935 -2.031 1.00 0.00 H new ATOM 766 N GLU A 49 -2.481 -9.137 -5.770 1.00 0.00 N ATOM 767 CA GLU A 49 -1.942 -9.690 -7.007 1.00 0.00 C ATOM 768 C GLU A 49 -0.609 -10.388 -6.755 1.00 0.00 C ATOM 769 O GLU A 49 -0.305 -11.409 -7.372 1.00 0.00 O ATOM 770 CB GLU A 49 -1.763 -8.585 -8.050 1.00 0.00 C ATOM 771 CG GLU A 49 -1.784 -9.090 -9.482 1.00 0.00 C ATOM 772 CD GLU A 49 -1.169 -8.106 -10.458 1.00 0.00 C ATOM 773 OE1 GLU A 49 0.009 -7.739 -10.265 1.00 0.00 O ATOM 774 OE2 GLU A 49 -1.864 -7.704 -11.414 1.00 0.00 O ATOM 0 H GLU A 49 -2.755 -8.156 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.652 -10.426 -7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.554 -7.846 -7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.817 -8.075 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.245 -10.036 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.814 -9.292 -9.777 1.00 0.00 H new ATOM 781 N ARG A 50 0.182 -9.829 -5.846 1.00 0.00 N ATOM 782 CA ARG A 50 1.484 -10.396 -5.513 1.00 0.00 C ATOM 783 C ARG A 50 1.465 -11.023 -4.122 1.00 0.00 C ATOM 784 O ARG A 50 2.429 -11.665 -3.707 1.00 0.00 O ATOM 785 CB ARG A 50 2.567 -9.318 -5.584 1.00 0.00 C ATOM 786 CG ARG A 50 2.338 -8.162 -4.625 1.00 0.00 C ATOM 787 CD ARG A 50 3.653 -7.608 -4.096 1.00 0.00 C ATOM 788 NE ARG A 50 4.612 -7.358 -5.169 1.00 0.00 N ATOM 789 CZ ARG A 50 5.908 -7.151 -4.962 1.00 0.00 C ATOM 790 NH1 ARG A 50 6.396 -7.165 -3.730 1.00 0.00 N ATOM 791 NH2 ARG A 50 6.717 -6.930 -5.990 1.00 0.00 N ATOM 0 H ARG A 50 -0.055 -8.984 -5.326 1.00 0.00 H new ATOM 0 HA ARG A 50 1.709 -11.176 -6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.534 -9.772 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.616 -8.931 -6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.786 -7.371 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.721 -8.496 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.464 -6.681 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.082 -8.312 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 50 4.268 -7.341 -6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.776 -7.335 -2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.391 -7.006 -3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.344 -6.919 -6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.712 -6.771 -5.831 1.00 0.00 H new ATOM 805 N GLN A 51 0.361 -10.830 -3.407 1.00 0.00 N ATOM 806 CA GLN A 51 0.217 -11.375 -2.063 1.00 0.00 C ATOM 807 C GLN A 51 -1.061 -12.200 -1.943 1.00 0.00 C ATOM 808 O GLN A 51 -1.746 -12.155 -0.922 1.00 0.00 O ATOM 809 CB GLN A 51 0.209 -10.247 -1.030 1.00 0.00 C ATOM 810 CG GLN A 51 1.595 -9.722 -0.692 1.00 0.00 C ATOM 811 CD GLN A 51 2.498 -10.791 -0.109 1.00 0.00 C ATOM 812 OE1 GLN A 51 2.317 -11.220 1.031 1.00 0.00 O ATOM 813 NE2 GLN A 51 3.478 -11.229 -0.891 1.00 0.00 N ATOM 0 H GLN A 51 -0.446 -10.300 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 51 1.068 -12.028 -1.871 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.400 -9.425 -1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.268 -10.605 -0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 51 2.055 -9.315 -1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.505 -8.901 0.019 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.592 -10.846 -1.829 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.117 -11.949 -0.553 1.00 0.00 H new ATOM 822 N GLY A 52 -1.375 -12.952 -2.993 1.00 0.00 N ATOM 823 CA GLY A 52 -2.570 -13.775 -2.985 1.00 0.00 C ATOM 824 C GLY A 52 -2.407 -15.026 -2.145 1.00 0.00 C ATOM 825 O GLY A 52 -2.435 -16.141 -2.666 1.00 0.00 O ATOM 0 H GLY A 52 -0.823 -13.006 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.407 -13.191 -2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.819 -14.058 -4.008 1.00 0.00 H new ATOM 829 N LEU A 53 -2.234 -14.841 -0.841 1.00 0.00 N ATOM 830 CA LEU A 53 -2.064 -15.965 0.075 1.00 0.00 C ATOM 831 C LEU A 53 -3.307 -16.156 0.938 1.00 0.00 C ATOM 832 O LEU A 53 -3.675 -17.282 1.272 1.00 0.00 O ATOM 833 CB LEU A 53 -0.840 -15.742 0.965 1.00 0.00 C ATOM 834 CG LEU A 53 0.368 -15.087 0.293 1.00 0.00 C ATOM 835 CD1 LEU A 53 1.545 -15.027 1.254 1.00 0.00 C ATOM 836 CD2 LEU A 53 0.748 -15.841 -0.973 1.00 0.00 C ATOM 0 H LEU A 53 -2.208 -13.925 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.914 -16.867 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.139 -15.124 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.528 -16.706 1.368 1.00 0.00 H new ATOM 0 HG LEU A 53 0.098 -14.068 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.395 -14.558 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.269 -14.443 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.816 -16.037 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.609 -15.361 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.999 -16.871 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.092 -15.831 -1.668 1.00 0.00 H new ATOM 848 N SER A 54 -3.950 -15.049 1.295 1.00 0.00 N ATOM 849 CA SER A 54 -5.151 -15.095 2.121 1.00 0.00 C ATOM 850 C SER A 54 -5.954 -13.805 1.984 1.00 0.00 C ATOM 851 O SER A 54 -5.882 -12.922 2.838 1.00 0.00 O ATOM 852 CB SER A 54 -4.778 -15.323 3.587 1.00 0.00 C ATOM 853 OG SER A 54 -5.923 -15.639 4.361 1.00 0.00 O ATOM 0 H SER A 54 -3.659 -14.109 1.025 1.00 0.00 H new ATOM 0 HA SER A 54 -5.768 -15.925 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.052 -16.132 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.300 -14.429 3.987 1.00 0.00 H new ATOM 0 HG SER A 54 -5.967 -16.608 4.499 1.00 0.00 H new ATOM 859 N MET A 55 -6.720 -13.705 0.902 1.00 0.00 N ATOM 860 CA MET A 55 -7.538 -12.524 0.652 1.00 0.00 C ATOM 861 C MET A 55 -8.528 -12.298 1.791 1.00 0.00 C ATOM 862 O MET A 55 -9.019 -11.187 1.987 1.00 0.00 O ATOM 863 CB MET A 55 -8.291 -12.670 -0.672 1.00 0.00 C ATOM 864 CG MET A 55 -9.165 -13.912 -0.741 1.00 0.00 C ATOM 865 SD MET A 55 -9.831 -14.201 -2.391 1.00 0.00 S ATOM 866 CE MET A 55 -11.121 -12.961 -2.458 1.00 0.00 C ATOM 0 H MET A 55 -6.791 -14.427 0.185 1.00 0.00 H new ATOM 0 HA MET A 55 -6.876 -11.660 0.592 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.914 -11.789 -0.825 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.570 -12.697 -1.489 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.582 -14.779 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.988 -13.812 -0.033 1.00 0.00 H new ATOM 0 HE1 MET A 55 -11.627 -13.014 -3.422 1.00 0.00 H new ATOM 0 HE2 MET A 55 -11.841 -13.142 -1.660 1.00 0.00 H new ATOM 0 HE3 MET A 55 -10.681 -11.971 -2.333 1.00 0.00 H new ATOM 876 N ARG A 56 -8.816 -13.359 2.538 1.00 0.00 N ATOM 877 CA ARG A 56 -9.749 -13.276 3.655 1.00 0.00 C ATOM 878 C ARG A 56 -9.020 -12.912 4.946 1.00 0.00 C ATOM 879 O ARG A 56 -9.596 -12.968 6.032 1.00 0.00 O ATOM 880 CB ARG A 56 -10.487 -14.604 3.831 1.00 0.00 C ATOM 881 CG ARG A 56 -11.534 -14.866 2.761 1.00 0.00 C ATOM 882 CD ARG A 56 -10.944 -15.618 1.578 1.00 0.00 C ATOM 883 NE ARG A 56 -10.918 -17.061 1.805 1.00 0.00 N ATOM 884 CZ ARG A 56 -12.006 -17.823 1.818 1.00 0.00 C ATOM 885 NH1 ARG A 56 -13.200 -17.283 1.618 1.00 0.00 N ATOM 886 NH2 ARG A 56 -11.900 -19.128 2.031 1.00 0.00 N ATOM 0 H ARG A 56 -8.417 -14.286 2.390 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.473 -12.492 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.761 -15.417 3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.968 -14.615 4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.355 -15.442 3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.952 -13.919 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.528 -15.402 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.931 -15.262 1.391 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.015 -17.508 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.285 -16.280 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.034 -17.871 1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.983 -19.547 2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.736 -19.713 2.041 1.00 0.00 H new ATOM 900 N GLN A 57 -7.750 -12.540 4.817 1.00 0.00 N ATOM 901 CA GLN A 57 -6.943 -12.168 5.973 1.00 0.00 C ATOM 902 C GLN A 57 -6.186 -10.870 5.714 1.00 0.00 C ATOM 903 O GLN A 57 -6.196 -9.958 6.542 1.00 0.00 O ATOM 904 CB GLN A 57 -5.957 -13.287 6.314 1.00 0.00 C ATOM 905 CG GLN A 57 -6.611 -14.497 6.961 1.00 0.00 C ATOM 906 CD GLN A 57 -5.636 -15.636 7.187 1.00 0.00 C ATOM 907 OE1 GLN A 57 -4.460 -15.414 7.477 1.00 0.00 O ATOM 908 NE2 GLN A 57 -6.121 -16.866 7.054 1.00 0.00 N ATOM 0 H GLN A 57 -7.259 -12.488 3.925 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.614 -12.013 6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.449 -13.603 5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.193 -12.895 6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.047 -14.202 7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.429 -14.844 6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.102 -17.004 6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.512 -17.672 7.193 1.00 0.00 H new ATOM 917 N ILE A 58 -5.532 -10.792 4.560 1.00 0.00 N ATOM 918 CA ILE A 58 -4.771 -9.605 4.192 1.00 0.00 C ATOM 919 C ILE A 58 -5.668 -8.373 4.134 1.00 0.00 C ATOM 920 O ILE A 58 -6.529 -8.260 3.262 1.00 0.00 O ATOM 921 CB ILE A 58 -4.073 -9.782 2.831 1.00 0.00 C ATOM 922 CG1 ILE A 58 -3.212 -11.047 2.836 1.00 0.00 C ATOM 923 CG2 ILE A 58 -3.228 -8.560 2.505 1.00 0.00 C ATOM 924 CD1 ILE A 58 -2.060 -10.990 3.815 1.00 0.00 C ATOM 0 H ILE A 58 -5.514 -11.537 3.864 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.014 -9.465 4.963 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.836 -9.887 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.841 -11.904 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.818 -11.213 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.741 -8.701 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.866 -7.677 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.470 -8.425 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.493 -11.920 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.408 -10.154 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.447 -10.856 4.825 1.00 0.00 H new ATOM 936 N ARG A 59 -5.459 -7.451 5.068 1.00 0.00 N ATOM 937 CA ARG A 59 -6.249 -6.227 5.123 1.00 0.00 C ATOM 938 C ARG A 59 -5.450 -5.093 5.759 1.00 0.00 C ATOM 939 O ARG A 59 -4.639 -5.318 6.658 1.00 0.00 O ATOM 940 CB ARG A 59 -7.538 -6.461 5.913 1.00 0.00 C ATOM 941 CG ARG A 59 -8.510 -7.406 5.226 1.00 0.00 C ATOM 942 CD ARG A 59 -9.017 -6.827 3.914 1.00 0.00 C ATOM 943 NE ARG A 59 -9.733 -5.570 4.112 1.00 0.00 N ATOM 944 CZ ARG A 59 -10.544 -5.035 3.206 1.00 0.00 C ATOM 945 NH1 ARG A 59 -10.741 -5.645 2.045 1.00 0.00 N ATOM 946 NH2 ARG A 59 -11.160 -3.888 3.460 1.00 0.00 N ATOM 0 H ARG A 59 -4.749 -7.528 5.797 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.503 -5.943 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.285 -6.863 6.894 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.031 -5.503 6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.019 -8.361 5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.353 -7.606 5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.176 -6.663 3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.676 -7.548 3.430 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.603 -5.075 4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.269 -6.527 1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.364 -5.232 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.011 -3.416 4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.782 -3.478 2.764 1.00 0.00 H new ATOM 960 N PHE A 60 -5.683 -3.873 5.285 1.00 0.00 N ATOM 961 CA PHE A 60 -4.984 -2.704 5.805 1.00 0.00 C ATOM 962 C PHE A 60 -5.537 -2.302 7.169 1.00 0.00 C ATOM 963 O PHE A 60 -6.747 -2.146 7.339 1.00 0.00 O ATOM 964 CB PHE A 60 -5.107 -1.533 4.827 1.00 0.00 C ATOM 965 CG PHE A 60 -4.327 -1.728 3.559 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.941 -1.711 3.572 1.00 0.00 C ATOM 967 CD2 PHE A 60 -4.978 -1.927 2.352 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.221 -1.889 2.406 1.00 0.00 C ATOM 969 CE2 PHE A 60 -4.263 -2.106 1.183 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.883 -2.088 1.210 1.00 0.00 C ATOM 0 H PHE A 60 -6.351 -3.669 4.542 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.932 -2.963 5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.158 -1.386 4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.765 -0.622 5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.418 -1.557 4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.058 -1.942 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.141 -1.873 2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.783 -2.260 0.249 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.322 -2.229 0.298 1.00 0.00 H new ATOM 980 N ARG A 61 -4.643 -2.137 8.138 1.00 0.00 N ATOM 981 CA ARG A 61 -5.041 -1.755 9.488 1.00 0.00 C ATOM 982 C ARG A 61 -3.943 -0.945 10.170 1.00 0.00 C ATOM 983 O ARG A 61 -2.789 -1.370 10.229 1.00 0.00 O ATOM 984 CB ARG A 61 -5.363 -2.998 10.319 1.00 0.00 C ATOM 985 CG ARG A 61 -6.523 -2.805 11.281 1.00 0.00 C ATOM 986 CD ARG A 61 -6.103 -2.009 12.507 1.00 0.00 C ATOM 987 NE ARG A 61 -6.848 -2.406 13.699 1.00 0.00 N ATOM 988 CZ ARG A 61 -6.684 -3.573 14.313 1.00 0.00 C ATOM 989 NH1 ARG A 61 -5.805 -4.451 13.850 1.00 0.00 N ATOM 990 NH2 ARG A 61 -7.399 -3.862 15.393 1.00 0.00 N ATOM 0 H ARG A 61 -3.638 -2.262 8.014 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.934 -1.134 9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.594 -3.824 9.646 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.477 -3.286 10.885 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.337 -2.289 10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.906 -3.777 11.591 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.036 -2.150 12.683 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.258 -0.946 12.320 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.531 -1.752 14.081 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.253 -4.231 13.021 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.681 -5.346 14.323 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.075 -3.188 15.752 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.272 -4.758 15.864 1.00 0.00 H new ATOM 1004 N PHE A 62 -4.309 0.225 10.682 1.00 0.00 N ATOM 1005 CA PHE A 62 -3.355 1.096 11.359 1.00 0.00 C ATOM 1006 C PHE A 62 -3.386 0.869 12.867 1.00 0.00 C ATOM 1007 O PHE A 62 -4.380 0.391 13.414 1.00 0.00 O ATOM 1008 CB PHE A 62 -3.660 2.563 11.046 1.00 0.00 C ATOM 1009 CG PHE A 62 -2.556 3.502 11.440 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -1.341 3.483 10.773 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -2.732 4.404 12.477 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -0.324 4.346 11.134 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -1.718 5.269 12.842 1.00 0.00 C ATOM 1014 CZ PHE A 62 -0.513 5.241 12.169 1.00 0.00 C ATOM 0 H PHE A 62 -5.260 0.592 10.641 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.357 0.853 10.994 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.850 2.666 9.978 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.575 2.854 11.562 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.188 2.786 9.962 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.673 4.431 13.006 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.618 4.321 10.607 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.868 5.966 13.653 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.280 5.917 12.451 1.00 0.00 H new ATOM 1024 N ASP A 63 -2.290 1.215 13.534 1.00 0.00 N ATOM 1025 CA ASP A 63 -2.190 1.050 14.979 1.00 0.00 C ATOM 1026 C ASP A 63 -3.009 2.113 15.705 1.00 0.00 C ATOM 1027 O ASP A 63 -2.477 2.881 16.506 1.00 0.00 O ATOM 1028 CB ASP A 63 -0.728 1.123 15.423 1.00 0.00 C ATOM 1029 CG ASP A 63 -0.534 0.664 16.854 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -0.481 -0.563 17.082 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -0.434 1.531 17.747 1.00 0.00 O ATOM 0 H ASP A 63 -1.458 1.612 13.096 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.591 0.069 15.236 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.119 0.507 14.761 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.371 2.148 15.322 1.00 0.00 H new ATOM 1036 N GLY A 64 -4.307 2.151 15.419 1.00 0.00 N ATOM 1037 CA GLY A 64 -5.178 3.124 16.052 1.00 0.00 C ATOM 1038 C GLY A 64 -6.636 2.918 15.692 1.00 0.00 C ATOM 1039 O GLY A 64 -7.516 3.052 16.542 1.00 0.00 O ATOM 0 H GLY A 64 -4.771 1.525 14.760 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.062 3.061 17.134 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.872 4.128 15.756 1.00 0.00 H new ATOM 1043 N GLN A 65 -6.891 2.594 14.428 1.00 0.00 N ATOM 1044 CA GLN A 65 -8.253 2.372 13.958 1.00 0.00 C ATOM 1045 C GLN A 65 -8.262 1.497 12.709 1.00 0.00 C ATOM 1046 O GLN A 65 -7.260 1.366 12.006 1.00 0.00 O ATOM 1047 CB GLN A 65 -8.938 3.708 13.664 1.00 0.00 C ATOM 1048 CG GLN A 65 -9.626 4.319 14.874 1.00 0.00 C ATOM 1049 CD GLN A 65 -10.640 3.383 15.502 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -11.788 3.308 15.063 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -10.221 2.663 16.536 1.00 0.00 N ATOM 0 H GLN A 65 -6.173 2.480 13.712 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.802 1.856 14.745 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.196 4.411 13.285 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.674 3.563 12.873 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.875 4.587 15.617 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.124 5.242 14.577 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.261 2.757 16.867 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.859 2.016 16.999 1.00 0.00 H new ATOM 1060 N PRO A 66 -9.420 0.883 12.424 1.00 0.00 N ATOM 1061 CA PRO A 66 -9.587 0.009 11.259 1.00 0.00 C ATOM 1062 C PRO A 66 -9.562 0.784 9.946 1.00 0.00 C ATOM 1063 O PRO A 66 -9.686 2.009 9.935 1.00 0.00 O ATOM 1064 CB PRO A 66 -10.964 -0.621 11.482 1.00 0.00 C ATOM 1065 CG PRO A 66 -11.694 0.358 12.336 1.00 0.00 C ATOM 1066 CD PRO A 66 -10.655 0.994 13.218 1.00 0.00 C ATOM 0 HA PRO A 66 -8.779 -0.718 11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.482 -0.786 10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -10.881 -1.590 11.973 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.200 1.107 11.726 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.460 -0.139 12.931 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.898 2.033 13.440 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.567 0.476 14.173 1.00 0.00 H new ATOM 1074 N ILE A 67 -9.402 0.062 8.841 1.00 0.00 N ATOM 1075 CA ILE A 67 -9.363 0.683 7.523 1.00 0.00 C ATOM 1076 C ILE A 67 -10.067 -0.185 6.486 1.00 0.00 C ATOM 1077 O ILE A 67 -9.763 -1.369 6.343 1.00 0.00 O ATOM 1078 CB ILE A 67 -7.915 0.939 7.064 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -7.135 1.679 8.153 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -7.904 1.732 5.766 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -5.700 1.971 7.776 1.00 0.00 C ATOM 0 H ILE A 67 -9.297 -0.953 8.833 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.883 1.637 7.608 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.431 -0.021 6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.641 2.618 8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.148 1.084 9.066 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.874 1.905 5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.428 1.171 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.402 2.689 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.209 2.497 8.595 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.177 1.035 7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.678 2.592 6.881 1.00 0.00 H new ATOM 1093 N ASN A 68 -11.008 0.412 5.763 1.00 0.00 N ATOM 1094 CA ASN A 68 -11.755 -0.306 4.736 1.00 0.00 C ATOM 1095 C ASN A 68 -11.378 0.187 3.343 1.00 0.00 C ATOM 1096 O ASN A 68 -10.900 1.309 3.180 1.00 0.00 O ATOM 1097 CB ASN A 68 -13.259 -0.138 4.959 1.00 0.00 C ATOM 1098 CG ASN A 68 -13.749 -0.884 6.185 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -13.745 -0.349 7.294 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -14.175 -2.127 5.991 1.00 0.00 N ATOM 0 H ASN A 68 -11.272 1.392 5.869 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.499 -1.363 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.492 0.922 5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.796 -0.496 4.081 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.517 -2.678 6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.161 -2.531 5.054 1.00 0.00 H new ATOM 1107 N GLU A 69 -11.596 -0.660 2.342 1.00 0.00 N ATOM 1108 CA GLU A 69 -11.279 -0.309 0.963 1.00 0.00 C ATOM 1109 C GLU A 69 -11.911 1.026 0.581 1.00 0.00 C ATOM 1110 O GLU A 69 -11.296 1.845 -0.103 1.00 0.00 O ATOM 1111 CB GLU A 69 -11.762 -1.405 0.010 1.00 0.00 C ATOM 1112 CG GLU A 69 -13.263 -1.637 0.061 1.00 0.00 C ATOM 1113 CD GLU A 69 -13.661 -2.999 -0.473 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -13.795 -3.136 -1.707 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -13.838 -3.928 0.342 1.00 0.00 O ATOM 0 H GLU A 69 -11.990 -1.593 2.460 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.196 -0.216 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.478 -1.140 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.250 -2.337 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.607 -1.540 1.091 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.766 -0.863 -0.518 1.00 0.00 H new ATOM 1122 N THR A 70 -13.144 1.240 1.029 1.00 0.00 N ATOM 1123 CA THR A 70 -13.861 2.474 0.734 1.00 0.00 C ATOM 1124 C THR A 70 -13.182 3.673 1.384 1.00 0.00 C ATOM 1125 O THR A 70 -12.989 4.710 0.748 1.00 0.00 O ATOM 1126 CB THR A 70 -15.323 2.403 1.215 1.00 0.00 C ATOM 1127 OG1 THR A 70 -15.744 1.037 1.303 1.00 0.00 O ATOM 1128 CG2 THR A 70 -16.241 3.162 0.269 1.00 0.00 C ATOM 0 H THR A 70 -13.667 0.574 1.598 1.00 0.00 H new ATOM 0 HA THR A 70 -13.848 2.596 -0.349 1.00 0.00 H new ATOM 0 HB THR A 70 -15.381 2.865 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.674 1.000 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.268 3.098 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.936 4.208 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.178 2.725 -0.728 1.00 0.00 H new ATOM 1136 N ASP A 71 -12.820 3.526 2.654 1.00 0.00 N ATOM 1137 CA ASP A 71 -12.160 4.597 3.390 1.00 0.00 C ATOM 1138 C ASP A 71 -10.946 5.115 2.624 1.00 0.00 C ATOM 1139 O ASP A 71 -10.340 4.389 1.836 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.733 4.106 4.775 1.00 0.00 C ATOM 1141 CG ASP A 71 -12.911 3.662 5.619 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -14.051 3.687 5.109 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -12.693 3.288 6.790 1.00 0.00 O ATOM 0 H ASP A 71 -12.973 2.675 3.195 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.870 5.415 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.036 3.276 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.199 4.904 5.292 1.00 0.00 H new ATOM 1148 N THR A 72 -10.597 6.376 2.861 1.00 0.00 N ATOM 1149 CA THR A 72 -9.458 6.992 2.193 1.00 0.00 C ATOM 1150 C THR A 72 -8.417 7.462 3.202 1.00 0.00 C ATOM 1151 O THR A 72 -8.707 7.663 4.382 1.00 0.00 O ATOM 1152 CB THR A 72 -9.894 8.188 1.327 1.00 0.00 C ATOM 1153 OG1 THR A 72 -11.015 8.845 1.928 1.00 0.00 O ATOM 1154 CG2 THR A 72 -10.260 7.734 -0.078 1.00 0.00 C ATOM 0 H THR A 72 -11.087 6.990 3.511 1.00 0.00 H new ATOM 0 HA THR A 72 -9.018 6.229 1.550 1.00 0.00 H new ATOM 0 HB THR A 72 -9.058 8.884 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.285 9.606 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.565 8.596 -0.671 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.396 7.260 -0.544 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.082 7.020 -0.027 1.00 0.00 H new ATOM 1162 N PRO A 73 -7.174 7.644 2.731 1.00 0.00 N ATOM 1163 CA PRO A 73 -6.065 8.095 3.576 1.00 0.00 C ATOM 1164 C PRO A 73 -6.219 9.549 4.008 1.00 0.00 C ATOM 1165 O PRO A 73 -5.460 10.043 4.842 1.00 0.00 O ATOM 1166 CB PRO A 73 -4.841 7.933 2.671 1.00 0.00 C ATOM 1167 CG PRO A 73 -5.379 8.025 1.285 1.00 0.00 C ATOM 1168 CD PRO A 73 -6.757 7.424 1.336 1.00 0.00 C ATOM 0 HA PRO A 73 -6.004 7.528 4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.102 8.712 2.861 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.347 6.976 2.841 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.417 9.061 0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.743 7.485 0.583 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.434 7.910 0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.743 6.364 1.083 1.00 0.00 H new ATOM 1176 N ALA A 74 -7.206 10.230 3.436 1.00 0.00 N ATOM 1177 CA ALA A 74 -7.461 11.628 3.764 1.00 0.00 C ATOM 1178 C ALA A 74 -8.151 11.756 5.118 1.00 0.00 C ATOM 1179 O ALA A 74 -7.758 12.575 5.949 1.00 0.00 O ATOM 1180 CB ALA A 74 -8.302 12.280 2.677 1.00 0.00 C ATOM 0 H ALA A 74 -7.843 9.837 2.743 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.502 12.143 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.485 13.323 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.771 12.229 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.254 11.756 2.590 1.00 0.00 H new ATOM 1186 N GLN A 75 -9.180 10.944 5.332 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.925 10.969 6.586 1.00 0.00 C ATOM 1188 C GLN A 75 -9.385 9.927 7.560 1.00 0.00 C ATOM 1189 O GLN A 75 -10.071 9.529 8.503 1.00 0.00 O ATOM 1190 CB GLN A 75 -11.411 10.719 6.325 1.00 0.00 C ATOM 1191 CG GLN A 75 -12.140 11.925 5.754 1.00 0.00 C ATOM 1192 CD GLN A 75 -13.633 11.696 5.623 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -14.137 11.416 4.535 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -14.350 11.815 6.734 1.00 0.00 N ATOM 0 H GLN A 75 -9.517 10.261 4.654 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.803 11.955 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.514 9.882 5.634 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.891 10.423 7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.964 12.789 6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.726 12.165 4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.891 12.048 7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.360 11.673 6.707 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.153 9.489 7.327 1.00 0.00 N ATOM 1204 CA LEU A 76 -7.521 8.492 8.185 1.00 0.00 C ATOM 1205 C LEU A 76 -6.290 9.071 8.875 1.00 0.00 C ATOM 1206 O LEU A 76 -5.848 8.563 9.906 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.129 7.261 7.367 1.00 0.00 C ATOM 1208 CG LEU A 76 -8.063 6.055 7.479 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -7.950 5.419 8.856 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -9.501 6.466 7.196 1.00 0.00 C ATOM 0 H LEU A 76 -7.572 9.808 6.552 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.240 8.198 8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.067 7.551 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.129 6.951 7.671 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.764 5.317 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.622 4.563 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.925 5.089 9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.223 6.149 9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.152 5.595 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.812 7.222 7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.571 6.875 6.188 1.00 0.00 H new ATOM 1222 N GLU A 77 -5.742 10.137 8.301 1.00 0.00 N ATOM 1223 CA GLU A 77 -4.562 10.785 8.863 1.00 0.00 C ATOM 1224 C GLU A 77 -3.365 9.838 8.853 1.00 0.00 C ATOM 1225 O GLU A 77 -2.546 9.848 9.771 1.00 0.00 O ATOM 1226 CB GLU A 77 -4.843 11.255 10.291 1.00 0.00 C ATOM 1227 CG GLU A 77 -6.148 12.019 10.435 1.00 0.00 C ATOM 1228 CD GLU A 77 -6.101 13.052 11.544 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -5.446 12.788 12.574 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -6.718 14.126 11.381 1.00 0.00 O ATOM 0 H GLU A 77 -6.095 10.570 7.448 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.324 11.650 8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.864 10.389 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.022 11.890 10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.380 12.514 9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.956 11.315 10.633 1.00 0.00 H new ATOM 1237 N MET A 78 -3.272 9.022 7.809 1.00 0.00 N ATOM 1238 CA MET A 78 -2.176 8.069 7.679 1.00 0.00 C ATOM 1239 C MET A 78 -1.122 8.583 6.703 1.00 0.00 C ATOM 1240 O MET A 78 -0.947 8.029 5.618 1.00 0.00 O ATOM 1241 CB MET A 78 -2.704 6.712 7.211 1.00 0.00 C ATOM 1242 CG MET A 78 -3.582 6.796 5.973 1.00 0.00 C ATOM 1243 SD MET A 78 -3.684 5.229 5.086 1.00 0.00 S ATOM 1244 CE MET A 78 -5.399 4.793 5.365 1.00 0.00 C ATOM 0 H MET A 78 -3.942 9.001 7.040 1.00 0.00 H new ATOM 0 HA MET A 78 -1.712 7.951 8.658 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.860 6.055 7.004 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.273 6.254 8.020 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.584 7.110 6.264 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.189 7.562 5.305 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.586 3.789 4.985 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.613 4.822 6.433 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.044 5.503 4.847 1.00 0.00 H new ATOM 1254 N GLU A 79 -0.424 9.643 7.096 1.00 0.00 N ATOM 1255 CA GLU A 79 0.611 10.231 6.254 1.00 0.00 C ATOM 1256 C GLU A 79 1.897 10.450 7.045 1.00 0.00 C ATOM 1257 O GLU A 79 2.045 9.949 8.160 1.00 0.00 O ATOM 1258 CB GLU A 79 0.129 11.559 5.666 1.00 0.00 C ATOM 1259 CG GLU A 79 -1.381 11.645 5.514 1.00 0.00 C ATOM 1260 CD GLU A 79 -1.822 12.892 4.774 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -1.016 13.840 4.674 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -2.975 12.920 4.294 1.00 0.00 O ATOM 0 H GLU A 79 -0.556 10.112 7.992 1.00 0.00 H new ATOM 0 HA GLU A 79 0.819 9.536 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.468 12.374 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.593 11.704 4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.740 10.765 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.843 11.630 6.501 1.00 0.00 H new ATOM 1269 N ASP A 80 2.824 11.200 6.460 1.00 0.00 N ATOM 1270 CA ASP A 80 4.098 11.486 7.110 1.00 0.00 C ATOM 1271 C ASP A 80 4.892 10.204 7.338 1.00 0.00 C ATOM 1272 O ASP A 80 5.435 9.984 8.420 1.00 0.00 O ATOM 1273 CB ASP A 80 3.867 12.201 8.442 1.00 0.00 C ATOM 1274 CG ASP A 80 2.704 13.172 8.383 1.00 0.00 C ATOM 1275 OD1 ASP A 80 2.593 13.906 7.378 1.00 0.00 O ATOM 1276 OD2 ASP A 80 1.903 13.198 9.341 1.00 0.00 O ATOM 0 H ASP A 80 2.717 11.621 5.537 1.00 0.00 H new ATOM 0 HA ASP A 80 4.674 12.137 6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.680 11.461 9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.772 12.739 8.724 1.00 0.00 H new ATOM 1281 N GLU A 81 4.953 9.360 6.312 1.00 0.00 N ATOM 1282 CA GLU A 81 5.678 8.099 6.403 1.00 0.00 C ATOM 1283 C GLU A 81 5.038 7.176 7.436 1.00 0.00 C ATOM 1284 O GLU A 81 5.729 6.557 8.245 1.00 0.00 O ATOM 1285 CB GLU A 81 7.142 8.352 6.768 1.00 0.00 C ATOM 1286 CG GLU A 81 7.793 9.452 5.946 1.00 0.00 C ATOM 1287 CD GLU A 81 9.235 9.703 6.344 1.00 0.00 C ATOM 1288 OE1 GLU A 81 10.107 8.903 5.947 1.00 0.00 O ATOM 1289 OE2 GLU A 81 9.490 10.699 7.053 1.00 0.00 O ATOM 0 H GLU A 81 4.509 9.527 5.409 1.00 0.00 H new ATOM 0 HA GLU A 81 5.632 7.613 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.204 8.614 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.706 7.429 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.753 9.183 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.222 10.373 6.062 1.00 0.00 H new ATOM 1296 N ASP A 82 3.712 7.089 7.401 1.00 0.00 N ATOM 1297 CA ASP A 82 2.977 6.242 8.333 1.00 0.00 C ATOM 1298 C ASP A 82 3.044 4.779 7.906 1.00 0.00 C ATOM 1299 O ASP A 82 2.717 4.436 6.769 1.00 0.00 O ATOM 1300 CB ASP A 82 1.519 6.693 8.424 1.00 0.00 C ATOM 1301 CG ASP A 82 1.198 7.349 9.752 1.00 0.00 C ATOM 1302 OD1 ASP A 82 1.601 6.799 10.798 1.00 0.00 O ATOM 1303 OD2 ASP A 82 0.542 8.413 9.746 1.00 0.00 O ATOM 0 H ASP A 82 3.125 7.595 6.737 1.00 0.00 H new ATOM 0 HA ASP A 82 3.440 6.337 9.315 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.307 7.393 7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.866 5.832 8.280 1.00 0.00 H new ATOM 1308 N THR A 83 3.472 3.918 8.825 1.00 0.00 N ATOM 1309 CA THR A 83 3.585 2.493 8.543 1.00 0.00 C ATOM 1310 C THR A 83 2.314 1.751 8.943 1.00 0.00 C ATOM 1311 O THR A 83 1.958 1.703 10.121 1.00 0.00 O ATOM 1312 CB THR A 83 4.784 1.867 9.281 1.00 0.00 C ATOM 1313 OG1 THR A 83 5.934 2.710 9.147 1.00 0.00 O ATOM 1314 CG2 THR A 83 5.096 0.484 8.731 1.00 0.00 C ATOM 0 H THR A 83 3.746 4.184 9.771 1.00 0.00 H new ATOM 0 HA THR A 83 3.738 2.395 7.468 1.00 0.00 H new ATOM 0 HB THR A 83 4.524 1.771 10.335 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.692 2.307 9.620 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.946 0.062 9.268 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.228 -0.163 8.860 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.338 0.560 7.671 1.00 0.00 H new ATOM 1322 N ILE A 84 1.636 1.175 7.957 1.00 0.00 N ATOM 1323 CA ILE A 84 0.406 0.434 8.208 1.00 0.00 C ATOM 1324 C ILE A 84 0.697 -1.036 8.489 1.00 0.00 C ATOM 1325 O ILE A 84 1.619 -1.617 7.918 1.00 0.00 O ATOM 1326 CB ILE A 84 -0.565 0.535 7.016 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -0.714 1.992 6.573 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -1.918 -0.054 7.384 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -1.624 2.170 5.378 1.00 0.00 C ATOM 0 H ILE A 84 1.917 1.207 6.977 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.060 0.883 9.085 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.156 -0.038 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.102 2.579 7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.271 2.393 6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.593 0.025 6.532 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.797 -1.103 7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.335 0.493 8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.683 3.227 5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.226 1.611 4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.620 1.800 5.621 1.00 0.00 H new ATOM 1341 N ASP A 85 -0.097 -1.632 9.372 1.00 0.00 N ATOM 1342 CA ASP A 85 0.073 -3.036 9.728 1.00 0.00 C ATOM 1343 C ASP A 85 -0.982 -3.901 9.047 1.00 0.00 C ATOM 1344 O ASP A 85 -2.181 -3.652 9.175 1.00 0.00 O ATOM 1345 CB ASP A 85 -0.006 -3.213 11.245 1.00 0.00 C ATOM 1346 CG ASP A 85 1.280 -2.817 11.942 1.00 0.00 C ATOM 1347 OD1 ASP A 85 1.833 -1.748 11.606 1.00 0.00 O ATOM 1348 OD2 ASP A 85 1.734 -3.575 12.825 1.00 0.00 O ATOM 0 H ASP A 85 -0.865 -1.165 9.854 1.00 0.00 H new ATOM 0 HA ASP A 85 1.056 -3.356 9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.827 -2.612 11.636 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.235 -4.254 11.475 1.00 0.00 H new ATOM 1353 N VAL A 86 -0.528 -4.917 8.320 1.00 0.00 N ATOM 1354 CA VAL A 86 -1.433 -5.819 7.618 1.00 0.00 C ATOM 1355 C VAL A 86 -1.899 -6.949 8.529 1.00 0.00 C ATOM 1356 O VAL A 86 -1.286 -7.222 9.561 1.00 0.00 O ATOM 1357 CB VAL A 86 -0.766 -6.424 6.369 1.00 0.00 C ATOM 1358 CG1 VAL A 86 0.175 -7.554 6.759 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -1.819 -6.912 5.386 1.00 0.00 C ATOM 0 H VAL A 86 0.461 -5.136 8.202 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.294 -5.226 7.310 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.178 -5.647 5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.637 -7.969 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.950 -7.170 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.387 -8.335 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.330 -7.336 4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.436 -7.674 5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.448 -6.075 5.081 1.00 0.00 H new ATOM 1369 N PHE A 87 -2.988 -7.605 8.140 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.537 -8.707 8.922 1.00 0.00 C ATOM 1371 C PHE A 87 -3.288 -10.043 8.229 1.00 0.00 C ATOM 1372 O PHE A 87 -3.671 -10.235 7.075 1.00 0.00 O ATOM 1373 CB PHE A 87 -5.037 -8.505 9.143 1.00 0.00 C ATOM 1374 CG PHE A 87 -5.682 -9.613 9.925 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -5.114 -10.070 11.103 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -6.857 -10.199 9.482 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -5.706 -11.090 11.824 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -7.454 -11.219 10.198 1.00 0.00 C ATOM 1379 CZ PHE A 87 -6.877 -11.665 11.372 1.00 0.00 C ATOM 0 H PHE A 87 -3.507 -7.393 7.288 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.033 -8.721 9.888 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.195 -7.562 9.666 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.531 -8.419 8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.198 -9.624 11.462 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.312 -9.854 8.565 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.253 -11.437 12.741 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.370 -11.667 9.841 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.341 -12.462 11.935 1.00 0.00 H new