USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 46 THR OG1 : rot -84:sc= 2.44 USER MOD Set 1.2: A 48 THR OG1 : rot -84:sc= 1.08 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -7.97! C(o=-6.6!,f=-15!) USER MOD Set 2.2: A 82 SER OG : rot 59:sc= 1.33 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= -0.172 (180deg=-0.861) USER MOD Single : A 28 HIS : no HD1:sc= -2.86 K(o=-2.9,f=-9.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.326) USER MOD Single : A 40 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.016) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.17 K(o=1.2,f=-0.55) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.261 (180deg=-1.09) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.548 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.103) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -1.01 K(o=-1,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.376 -7.386 -3.410 1.00 0.00 N ATOM 215 CA ALA A 17 11.188 -7.552 -4.238 1.00 0.00 C ATOM 216 C ALA A 17 10.390 -6.256 -4.319 1.00 0.00 C ATOM 217 O ALA A 17 10.607 -5.331 -3.535 1.00 0.00 O ATOM 218 CB ALA A 17 10.318 -8.676 -3.694 1.00 0.00 C ATOM 0 HA ALA A 17 11.512 -7.813 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.434 -8.789 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.885 -9.607 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.011 -8.438 -2.675 1.00 0.00 H new ATOM 224 N SER A 18 9.465 -6.193 -5.273 1.00 0.00 N ATOM 225 CA SER A 18 8.638 -5.007 -5.459 1.00 0.00 C ATOM 226 C SER A 18 7.264 -5.383 -6.003 1.00 0.00 C ATOM 227 O SER A 18 7.152 -6.031 -7.044 1.00 0.00 O ATOM 228 CB SER A 18 9.324 -4.025 -6.411 1.00 0.00 C ATOM 229 OG SER A 18 10.079 -4.711 -7.395 1.00 0.00 O ATOM 0 H SER A 18 9.270 -6.950 -5.929 1.00 0.00 H new ATOM 0 HA SER A 18 8.507 -4.530 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.574 -3.399 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.977 -3.361 -5.845 1.00 0.00 H new ATOM 0 HG SER A 18 10.506 -4.061 -7.992 1.00 0.00 H new ATOM 235 N ALA A 19 6.220 -4.973 -5.291 1.00 0.00 N ATOM 236 CA ALA A 19 4.852 -5.265 -5.702 1.00 0.00 C ATOM 237 C ALA A 19 4.067 -3.980 -5.945 1.00 0.00 C ATOM 238 O ALA A 19 4.531 -2.886 -5.628 1.00 0.00 O ATOM 239 CB ALA A 19 4.157 -6.120 -4.654 1.00 0.00 C ATOM 0 H ALA A 19 6.295 -4.437 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 19 4.891 -5.820 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.137 -6.330 -4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.699 -7.058 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.136 -5.586 -3.704 1.00 0.00 H new ATOM 245 N THR A 20 2.872 -4.122 -6.513 1.00 0.00 N ATOM 246 CA THR A 20 2.023 -2.973 -6.801 1.00 0.00 C ATOM 247 C THR A 20 0.564 -3.273 -6.476 1.00 0.00 C ATOM 248 O THR A 20 0.117 -4.415 -6.577 1.00 0.00 O ATOM 249 CB THR A 20 2.131 -2.550 -8.279 1.00 0.00 C ATOM 250 OG1 THR A 20 2.313 -3.704 -9.107 1.00 0.00 O ATOM 251 CG2 THR A 20 3.291 -1.587 -8.482 1.00 0.00 C ATOM 0 H THR A 20 2.472 -5.021 -6.782 1.00 0.00 H new ATOM 0 HA THR A 20 2.373 -2.156 -6.170 1.00 0.00 H new ATOM 0 HB THR A 20 1.206 -2.045 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.379 -3.427 -10.045 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.348 -1.302 -9.533 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.136 -0.697 -7.873 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.222 -2.071 -8.187 1.00 0.00 H new ATOM 259 N VAL A 21 -0.175 -2.239 -6.087 1.00 0.00 N ATOM 260 CA VAL A 21 -1.586 -2.392 -5.749 1.00 0.00 C ATOM 261 C VAL A 21 -2.453 -1.442 -6.567 1.00 0.00 C ATOM 262 O VAL A 21 -2.425 -0.229 -6.364 1.00 0.00 O ATOM 263 CB VAL A 21 -1.835 -2.135 -4.251 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.289 -0.775 -3.845 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.318 -2.241 -3.932 1.00 0.00 C ATOM 0 H VAL A 21 0.179 -1.287 -5.998 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.858 -3.421 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.308 -2.897 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.474 -0.611 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.216 -0.742 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.785 0.004 -4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.476 -2.057 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.869 -1.502 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.674 -3.240 -4.184 1.00 0.00 H new ATOM 275 N ALA A 22 -3.224 -2.002 -7.493 1.00 0.00 N ATOM 276 CA ALA A 22 -4.102 -1.206 -8.341 1.00 0.00 C ATOM 277 C ALA A 22 -5.246 -0.602 -7.533 1.00 0.00 C ATOM 278 O ALA A 22 -6.083 -1.324 -6.990 1.00 0.00 O ATOM 279 CB ALA A 22 -4.648 -2.053 -9.480 1.00 0.00 C ATOM 0 H ALA A 22 -3.258 -3.005 -7.675 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.516 -0.388 -8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.302 -1.445 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.821 -2.431 -10.081 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.213 -2.891 -9.072 1.00 0.00 H new ATOM 285 N ILE A 23 -5.275 0.724 -7.457 1.00 0.00 N ATOM 286 CA ILE A 23 -6.316 1.424 -6.715 1.00 0.00 C ATOM 287 C ILE A 23 -6.747 2.695 -7.439 1.00 0.00 C ATOM 288 O ILE A 23 -6.018 3.248 -8.263 1.00 0.00 O ATOM 289 CB ILE A 23 -5.847 1.790 -5.295 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.367 2.181 -5.308 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.084 0.628 -4.342 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.848 2.628 -3.959 1.00 0.00 C ATOM 0 H ILE A 23 -4.589 1.335 -7.900 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.164 0.743 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.427 2.645 -4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.778 1.331 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.218 2.984 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.747 0.903 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.148 0.391 -4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.527 -0.244 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.793 2.889 -4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.412 3.498 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.965 1.819 -3.238 1.00 0.00 H new ATOM 304 N PRO A 24 -7.962 3.171 -7.126 1.00 0.00 N ATOM 305 CA PRO A 24 -8.517 4.384 -7.734 1.00 0.00 C ATOM 306 C PRO A 24 -7.796 5.646 -7.274 1.00 0.00 C ATOM 307 O PRO A 24 -7.291 5.711 -6.153 1.00 0.00 O ATOM 308 CB PRO A 24 -9.969 4.391 -7.248 1.00 0.00 C ATOM 309 CG PRO A 24 -9.947 3.612 -5.979 1.00 0.00 C ATOM 310 CD PRO A 24 -8.886 2.562 -6.154 1.00 0.00 C ATOM 0 HA PRO A 24 -8.415 4.379 -8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.326 5.407 -7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.634 3.935 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.721 4.257 -5.130 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.918 3.157 -5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.386 2.334 -5.212 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.303 1.627 -6.527 1.00 0.00 H new ATOM 318 N LYS A 25 -7.752 6.648 -8.145 1.00 0.00 N ATOM 319 CA LYS A 25 -7.092 7.909 -7.828 1.00 0.00 C ATOM 320 C LYS A 25 -7.757 8.584 -6.632 1.00 0.00 C ATOM 321 O LYS A 25 -7.223 9.542 -6.074 1.00 0.00 O ATOM 322 CB LYS A 25 -7.128 8.845 -9.040 1.00 0.00 C ATOM 323 CG LYS A 25 -5.933 9.779 -9.121 1.00 0.00 C ATOM 324 CD LYS A 25 -4.801 9.166 -9.929 1.00 0.00 C ATOM 325 CE LYS A 25 -4.919 9.512 -11.405 1.00 0.00 C ATOM 326 NZ LYS A 25 -5.821 8.571 -12.125 1.00 0.00 N ATOM 0 H LYS A 25 -8.166 6.611 -9.077 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.054 7.694 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.173 8.246 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.041 9.439 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.237 10.722 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.581 10.009 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.845 9.522 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.810 8.083 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.296 10.529 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.930 9.490 -11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.429 8.366 -13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.904 7.687 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.762 9.003 -12.229 1.00 0.00 H new ATOM 340 N GLU A 26 -8.921 8.075 -6.243 1.00 0.00 N ATOM 341 CA GLU A 26 -9.656 8.629 -5.112 1.00 0.00 C ATOM 342 C GLU A 26 -9.225 7.969 -3.806 1.00 0.00 C ATOM 343 O GLU A 26 -9.564 8.437 -2.718 1.00 0.00 O ATOM 344 CB GLU A 26 -11.162 8.448 -5.314 1.00 0.00 C ATOM 345 CG GLU A 26 -11.637 7.021 -5.097 1.00 0.00 C ATOM 346 CD GLU A 26 -13.061 6.953 -4.581 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.992 6.915 -5.412 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.245 6.937 -3.345 1.00 0.00 O ATOM 0 H GLU A 26 -9.375 7.281 -6.694 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.430 9.694 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.694 9.108 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.425 8.760 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.568 6.472 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.974 6.525 -4.389 1.00 0.00 H new ATOM 355 N HIS A 27 -8.474 6.878 -3.922 1.00 0.00 N ATOM 356 CA HIS A 27 -7.995 6.152 -2.751 1.00 0.00 C ATOM 357 C HIS A 27 -6.507 6.405 -2.526 1.00 0.00 C ATOM 358 O HIS A 27 -5.957 6.048 -1.483 1.00 0.00 O ATOM 359 CB HIS A 27 -8.250 4.653 -2.915 1.00 0.00 C ATOM 360 CG HIS A 27 -9.690 4.270 -2.759 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.182 3.033 -3.119 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.745 4.968 -2.279 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.478 2.988 -2.868 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.845 4.150 -2.357 1.00 0.00 N ATOM 0 H HIS A 27 -8.184 6.478 -4.814 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.543 6.513 -1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.904 4.339 -3.900 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.656 4.109 -2.180 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.726 5.981 -1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.128 2.145 -3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.791 4.399 -2.068 1.00 0.00 H new ATOM 372 N HIS A 28 -5.861 7.023 -3.510 1.00 0.00 N ATOM 373 CA HIS A 28 -4.437 7.323 -3.419 1.00 0.00 C ATOM 374 C HIS A 28 -4.166 8.339 -2.314 1.00 0.00 C ATOM 375 O HIS A 28 -3.265 8.155 -1.496 1.00 0.00 O ATOM 376 CB HIS A 28 -3.920 7.855 -4.756 1.00 0.00 C ATOM 377 CG HIS A 28 -3.593 6.779 -5.744 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.542 6.868 -6.633 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.182 5.583 -5.978 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.501 5.774 -7.373 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.486 4.978 -6.995 1.00 0.00 N ATOM 0 H HIS A 28 -6.301 7.326 -4.379 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.911 6.400 -3.176 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.670 8.518 -5.188 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.028 8.456 -4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.040 5.180 -5.461 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.785 5.566 -8.154 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.695 4.063 -7.394 1.00 0.00 H new ATOM 389 N ARG A 29 -4.952 9.411 -2.297 1.00 0.00 N ATOM 390 CA ARG A 29 -4.794 10.457 -1.293 1.00 0.00 C ATOM 391 C ARG A 29 -5.051 9.910 0.108 1.00 0.00 C ATOM 392 O ARG A 29 -4.489 10.397 1.089 1.00 0.00 O ATOM 393 CB ARG A 29 -5.748 11.617 -1.581 1.00 0.00 C ATOM 394 CG ARG A 29 -7.180 11.351 -1.147 1.00 0.00 C ATOM 395 CD ARG A 29 -8.015 12.622 -1.169 1.00 0.00 C ATOM 396 NE ARG A 29 -8.452 12.965 -2.519 1.00 0.00 N ATOM 397 CZ ARG A 29 -8.991 14.135 -2.842 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.158 15.070 -1.916 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.364 14.374 -4.093 1.00 0.00 N ATOM 0 H ARG A 29 -5.704 9.578 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.767 10.819 -1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.384 12.510 -1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.735 11.830 -2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.629 10.608 -1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.184 10.929 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.887 12.494 -0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.433 13.446 -0.756 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.337 12.268 -3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.872 14.891 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.572 15.968 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.237 13.658 -4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.778 15.273 -4.339 1.00 0.00 H new ATOM 413 N PHE A 30 -5.904 8.894 0.194 1.00 0.00 N ATOM 414 CA PHE A 30 -6.236 8.281 1.474 1.00 0.00 C ATOM 415 C PHE A 30 -5.008 7.625 2.099 1.00 0.00 C ATOM 416 O PHE A 30 -4.864 7.588 3.321 1.00 0.00 O ATOM 417 CB PHE A 30 -7.347 7.243 1.293 1.00 0.00 C ATOM 418 CG PHE A 30 -8.710 7.849 1.118 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.025 8.556 -0.030 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.677 7.708 2.101 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.278 9.115 -0.195 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.932 8.264 1.942 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.234 8.967 0.792 1.00 0.00 C ATOM 0 H PHE A 30 -6.378 8.478 -0.608 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.586 9.066 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.118 6.625 0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.360 6.582 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.283 8.672 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.447 7.157 3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.510 9.667 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.676 8.149 2.716 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.215 9.400 0.664 1.00 0.00 H new ATOM 433 N VAL A 31 -4.125 7.108 1.250 1.00 0.00 N ATOM 434 CA VAL A 31 -2.909 6.454 1.718 1.00 0.00 C ATOM 435 C VAL A 31 -1.841 7.478 2.087 1.00 0.00 C ATOM 436 O VAL A 31 -1.047 7.259 3.001 1.00 0.00 O ATOM 437 CB VAL A 31 -2.341 5.498 0.652 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.064 4.841 1.150 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.376 4.450 0.271 1.00 0.00 C ATOM 0 H VAL A 31 -4.229 7.130 0.236 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.179 5.880 2.604 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.099 6.078 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.678 4.169 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.321 5.608 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.276 4.274 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.958 3.783 -0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.651 3.873 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.261 4.942 -0.131 1.00 0.00 H new ATOM 449 N ILE A 32 -1.829 8.597 1.370 1.00 0.00 N ATOM 450 CA ILE A 32 -0.860 9.656 1.623 1.00 0.00 C ATOM 451 C ILE A 32 -1.138 10.348 2.952 1.00 0.00 C ATOM 452 O ILE A 32 -0.224 10.596 3.738 1.00 0.00 O ATOM 453 CB ILE A 32 -0.868 10.706 0.497 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.459 10.067 -0.831 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.062 11.860 0.844 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.669 10.969 -2.027 1.00 0.00 C ATOM 0 H ILE A 32 -2.480 8.793 0.609 1.00 0.00 H new ATOM 0 HA ILE A 32 0.122 9.184 1.661 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.880 11.097 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.592 9.784 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.029 9.149 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.046 12.595 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.270 12.329 1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.077 11.484 0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.357 10.450 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.724 11.232 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.077 11.876 -1.907 1.00 0.00 H new ATOM 468 N GLY A 33 -2.407 10.657 3.199 1.00 0.00 N ATOM 469 CA GLY A 33 -2.784 11.317 4.436 1.00 0.00 C ATOM 470 C GLY A 33 -3.425 12.670 4.198 1.00 0.00 C ATOM 471 O GLY A 33 -3.324 13.232 3.107 1.00 0.00 O ATOM 0 H GLY A 33 -3.181 10.462 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.477 10.681 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.900 11.442 5.062 1.00 0.00 H new ATOM 475 N LYS A 34 -4.089 13.197 5.222 1.00 0.00 N ATOM 476 CA LYS A 34 -4.749 14.492 5.122 1.00 0.00 C ATOM 477 C LYS A 34 -3.899 15.477 4.325 1.00 0.00 C ATOM 478 O LYS A 34 -4.317 15.965 3.276 1.00 0.00 O ATOM 479 CB LYS A 34 -5.027 15.056 6.517 1.00 0.00 C ATOM 480 CG LYS A 34 -6.363 14.619 7.094 1.00 0.00 C ATOM 481 CD LYS A 34 -6.236 13.322 7.875 1.00 0.00 C ATOM 482 CE LYS A 34 -5.862 13.580 9.327 1.00 0.00 C ATOM 483 NZ LYS A 34 -5.198 12.400 9.947 1.00 0.00 N ATOM 0 H LYS A 34 -4.184 12.745 6.132 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.695 14.349 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.230 14.744 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.999 16.145 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.752 15.401 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.084 14.490 6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.179 12.777 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.480 12.689 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.197 14.442 9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.758 13.832 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.959 12.616 10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.842 11.584 9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.329 12.175 9.422 1.00 0.00 H new ATOM 497 N ASN A 35 -2.703 15.762 4.829 1.00 0.00 N ATOM 498 CA ASN A 35 -1.794 16.687 4.164 1.00 0.00 C ATOM 499 C ASN A 35 -0.578 15.951 3.608 1.00 0.00 C ATOM 500 O ASN A 35 -0.050 16.307 2.557 1.00 0.00 O ATOM 501 CB ASN A 35 -1.343 17.780 5.135 1.00 0.00 C ATOM 502 CG ASN A 35 -2.512 18.512 5.765 1.00 0.00 C ATOM 503 OD1 ASN A 35 -3.016 19.490 5.213 1.00 0.00 O ATOM 504 ND2 ASN A 35 -2.949 18.042 6.927 1.00 0.00 N ATOM 0 H ASN A 35 -2.341 15.365 5.696 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.329 17.147 3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.731 17.335 5.920 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.713 18.495 4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.732 18.495 7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.501 17.228 7.349 1.00 0.00 H new ATOM 511 N GLY A 36 -0.138 14.920 4.326 1.00 0.00 N ATOM 512 CA GLY A 36 1.011 14.150 3.889 1.00 0.00 C ATOM 513 C GLY A 36 1.775 13.543 5.049 1.00 0.00 C ATOM 514 O GLY A 36 2.982 13.749 5.181 1.00 0.00 O ATOM 0 H GLY A 36 -0.557 14.606 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.680 13.356 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.678 14.792 3.314 1.00 0.00 H new ATOM 518 N GLU A 37 1.073 12.794 5.893 1.00 0.00 N ATOM 519 CA GLU A 37 1.694 12.159 7.049 1.00 0.00 C ATOM 520 C GLU A 37 1.499 10.645 7.007 1.00 0.00 C ATOM 521 O GLU A 37 2.436 9.881 7.242 1.00 0.00 O ATOM 522 CB GLU A 37 1.110 12.724 8.345 1.00 0.00 C ATOM 523 CG GLU A 37 0.897 14.228 8.312 1.00 0.00 C ATOM 524 CD GLU A 37 2.112 14.999 8.786 1.00 0.00 C ATOM 525 OE1 GLU A 37 3.073 15.136 7.999 1.00 0.00 O ATOM 526 OE2 GLU A 37 2.104 15.468 9.943 1.00 0.00 O ATOM 0 H GLU A 37 0.074 12.612 5.798 1.00 0.00 H new ATOM 0 HA GLU A 37 2.763 12.372 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.157 12.235 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.777 12.478 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.651 14.534 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.042 14.484 8.938 1.00 0.00 H new ATOM 533 N LYS A 38 0.277 10.220 6.708 1.00 0.00 N ATOM 534 CA LYS A 38 -0.042 8.800 6.634 1.00 0.00 C ATOM 535 C LYS A 38 1.072 8.026 5.937 1.00 0.00 C ATOM 536 O LYS A 38 1.668 7.117 6.516 1.00 0.00 O ATOM 537 CB LYS A 38 -1.365 8.591 5.892 1.00 0.00 C ATOM 538 CG LYS A 38 -1.686 7.131 5.621 1.00 0.00 C ATOM 539 CD LYS A 38 -2.214 6.436 6.865 1.00 0.00 C ATOM 540 CE LYS A 38 -3.023 5.198 6.510 1.00 0.00 C ATOM 541 NZ LYS A 38 -4.441 5.531 6.202 1.00 0.00 N ATOM 0 H LYS A 38 -0.510 10.839 6.513 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.139 8.422 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.173 9.030 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.329 9.129 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.425 7.062 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.790 6.620 5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.380 6.155 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.836 7.128 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.571 4.703 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.988 4.491 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.015 4.665 6.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.799 6.208 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.500 5.953 5.253 1.00 0.00 H new ATOM 555 N LEU A 39 1.349 8.393 4.690 1.00 0.00 N ATOM 556 CA LEU A 39 2.394 7.735 3.913 1.00 0.00 C ATOM 557 C LEU A 39 3.703 7.685 4.695 1.00 0.00 C ATOM 558 O LEU A 39 4.395 6.667 4.699 1.00 0.00 O ATOM 559 CB LEU A 39 2.606 8.465 2.587 1.00 0.00 C ATOM 560 CG LEU A 39 3.940 8.204 1.883 1.00 0.00 C ATOM 561 CD1 LEU A 39 3.894 6.888 1.123 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.281 9.353 0.945 1.00 0.00 C ATOM 0 H LEU A 39 0.865 9.142 4.196 1.00 0.00 H new ATOM 0 HA LEU A 39 2.074 6.713 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.799 8.187 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.516 9.536 2.766 1.00 0.00 H new ATOM 0 HG LEU A 39 4.721 8.135 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.851 6.719 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.696 6.073 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.102 6.927 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.232 9.151 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.498 9.454 0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.357 10.278 1.516 1.00 0.00 H new ATOM 574 N GLN A 40 4.035 8.788 5.356 1.00 0.00 N ATOM 575 CA GLN A 40 5.260 8.869 6.142 1.00 0.00 C ATOM 576 C GLN A 40 5.330 7.736 7.160 1.00 0.00 C ATOM 577 O GLN A 40 6.292 6.968 7.184 1.00 0.00 O ATOM 578 CB GLN A 40 5.345 10.219 6.857 1.00 0.00 C ATOM 579 CG GLN A 40 5.131 11.410 5.936 1.00 0.00 C ATOM 580 CD GLN A 40 6.133 11.455 4.799 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.772 11.701 3.648 1.00 0.00 O ATOM 582 NE2 GLN A 40 7.401 11.218 5.117 1.00 0.00 N ATOM 0 H GLN A 40 3.473 9.639 5.363 1.00 0.00 H new ATOM 0 HA GLN A 40 6.105 8.773 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.600 10.247 7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.322 10.308 7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.122 11.370 5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.203 12.330 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.655 11.018 6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.120 11.236 4.394 1.00 0.00 H new ATOM 591 N ASP A 41 4.305 7.637 7.998 1.00 0.00 N ATOM 592 CA ASP A 41 4.249 6.596 9.019 1.00 0.00 C ATOM 593 C ASP A 41 4.322 5.211 8.386 1.00 0.00 C ATOM 594 O ASP A 41 5.066 4.344 8.847 1.00 0.00 O ATOM 595 CB ASP A 41 2.967 6.728 9.842 1.00 0.00 C ATOM 596 CG ASP A 41 3.035 5.958 11.147 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.749 4.936 11.195 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.373 6.379 12.119 1.00 0.00 O ATOM 0 H ASP A 41 3.501 8.265 7.991 1.00 0.00 H new ATOM 0 HA ASP A 41 5.108 6.720 9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.782 7.781 10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.123 6.368 9.254 1.00 0.00 H new ATOM 603 N LEU A 42 3.544 5.008 7.328 1.00 0.00 N ATOM 604 CA LEU A 42 3.519 3.726 6.632 1.00 0.00 C ATOM 605 C LEU A 42 4.916 3.336 6.157 1.00 0.00 C ATOM 606 O LEU A 42 5.411 2.257 6.477 1.00 0.00 O ATOM 607 CB LEU A 42 2.563 3.789 5.439 1.00 0.00 C ATOM 608 CG LEU A 42 1.110 3.406 5.724 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.218 3.788 4.552 1.00 0.00 C ATOM 610 CD2 LEU A 42 0.999 1.918 6.019 1.00 0.00 C ATOM 0 H LEU A 42 2.923 5.714 6.934 1.00 0.00 H new ATOM 0 HA LEU A 42 3.168 2.968 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.579 4.803 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.945 3.132 4.658 1.00 0.00 H new ATOM 0 HG LEU A 42 0.775 3.956 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.812 3.508 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.274 4.864 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.552 3.266 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.042 1.663 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.353 1.349 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.607 1.673 6.890 1.00 0.00 H new ATOM 622 N GLU A 43 5.546 4.225 5.395 1.00 0.00 N ATOM 623 CA GLU A 43 6.885 3.974 4.878 1.00 0.00 C ATOM 624 C GLU A 43 7.806 3.459 5.981 1.00 0.00 C ATOM 625 O GLU A 43 8.603 2.546 5.763 1.00 0.00 O ATOM 626 CB GLU A 43 7.467 5.251 4.266 1.00 0.00 C ATOM 627 CG GLU A 43 7.107 5.444 2.803 1.00 0.00 C ATOM 628 CD GLU A 43 7.604 6.765 2.251 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.088 7.820 2.676 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.510 6.744 1.391 1.00 0.00 O ATOM 0 H GLU A 43 5.150 5.125 5.123 1.00 0.00 H new ATOM 0 HA GLU A 43 6.811 3.210 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.113 6.111 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.552 5.229 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.530 4.627 2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.024 5.391 2.689 1.00 0.00 H new ATOM 637 N LEU A 44 7.691 4.052 7.164 1.00 0.00 N ATOM 638 CA LEU A 44 8.513 3.654 8.302 1.00 0.00 C ATOM 639 C LEU A 44 8.035 2.326 8.881 1.00 0.00 C ATOM 640 O LEU A 44 8.735 1.316 8.806 1.00 0.00 O ATOM 641 CB LEU A 44 8.479 4.736 9.383 1.00 0.00 C ATOM 642 CG LEU A 44 9.356 5.964 9.131 1.00 0.00 C ATOM 643 CD1 LEU A 44 8.949 7.107 10.047 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.825 5.618 9.328 1.00 0.00 C ATOM 0 H LEU A 44 7.037 4.810 7.360 1.00 0.00 H new ATOM 0 HA LEU A 44 9.538 3.529 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.448 5.069 9.503 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.781 4.286 10.329 1.00 0.00 H new ATOM 0 HG LEU A 44 9.213 6.284 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.584 7.972 9.854 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.908 7.371 9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.063 6.799 11.086 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.435 6.503 9.145 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.984 5.273 10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.110 4.830 8.631 1.00 0.00 H new ATOM 656 N LYS A 45 6.838 2.334 9.457 1.00 0.00 N ATOM 657 CA LYS A 45 6.264 1.130 10.046 1.00 0.00 C ATOM 658 C LYS A 45 6.506 -0.082 9.152 1.00 0.00 C ATOM 659 O LYS A 45 6.688 -1.198 9.638 1.00 0.00 O ATOM 660 CB LYS A 45 4.762 1.317 10.276 1.00 0.00 C ATOM 661 CG LYS A 45 4.119 0.178 11.048 1.00 0.00 C ATOM 662 CD LYS A 45 2.732 0.552 11.543 1.00 0.00 C ATOM 663 CE LYS A 45 1.671 0.277 10.489 1.00 0.00 C ATOM 664 NZ LYS A 45 0.315 0.145 11.088 1.00 0.00 N ATOM 0 H LYS A 45 6.246 3.162 9.529 1.00 0.00 H new ATOM 0 HA LYS A 45 6.753 0.955 11.004 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.599 2.249 10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.265 1.417 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.053 -0.703 10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.749 -0.089 11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.503 -0.012 12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.713 1.608 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.668 1.085 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.921 -0.638 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.380 -0.042 10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.311 -0.642 11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.065 1.027 11.579 1.00 0.00 H new ATOM 678 N THR A 46 6.508 0.146 7.842 1.00 0.00 N ATOM 679 CA THR A 46 6.729 -0.926 6.880 1.00 0.00 C ATOM 680 C THR A 46 8.151 -0.891 6.334 1.00 0.00 C ATOM 681 O THR A 46 8.620 -1.858 5.734 1.00 0.00 O ATOM 682 CB THR A 46 5.737 -0.840 5.705 1.00 0.00 C ATOM 683 OG1 THR A 46 6.077 0.261 4.856 1.00 0.00 O ATOM 684 CG2 THR A 46 4.311 -0.674 6.211 1.00 0.00 C ATOM 0 H THR A 46 6.359 1.064 7.423 1.00 0.00 H new ATOM 0 HA THR A 46 6.571 -1.864 7.411 1.00 0.00 H new ATOM 0 HB THR A 46 5.799 -1.769 5.138 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.685 1.084 5.215 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.629 -0.616 5.363 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.044 -1.528 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.238 0.241 6.799 1.00 0.00 H new ATOM 692 N ALA A 47 8.833 0.229 6.545 1.00 0.00 N ATOM 693 CA ALA A 47 10.205 0.389 6.076 1.00 0.00 C ATOM 694 C ALA A 47 10.319 0.055 4.592 1.00 0.00 C ATOM 695 O ALA A 47 11.289 -0.567 4.158 1.00 0.00 O ATOM 696 CB ALA A 47 11.146 -0.485 6.890 1.00 0.00 C ATOM 0 H ALA A 47 8.459 1.040 7.038 1.00 0.00 H new ATOM 0 HA ALA A 47 10.490 1.432 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.166 -0.356 6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.093 -0.197 7.940 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.854 -1.530 6.785 1.00 0.00 H new ATOM 702 N THR A 48 9.321 0.470 3.817 1.00 0.00 N ATOM 703 CA THR A 48 9.309 0.212 2.383 1.00 0.00 C ATOM 704 C THR A 48 9.400 1.511 1.590 1.00 0.00 C ATOM 705 O THR A 48 9.388 2.602 2.162 1.00 0.00 O ATOM 706 CB THR A 48 8.037 -0.546 1.959 1.00 0.00 C ATOM 707 OG1 THR A 48 6.874 0.198 2.339 1.00 0.00 O ATOM 708 CG2 THR A 48 7.992 -1.927 2.595 1.00 0.00 C ATOM 0 H THR A 48 8.511 0.986 4.159 1.00 0.00 H new ATOM 0 HA THR A 48 10.181 -0.405 2.166 1.00 0.00 H new ATOM 0 HB THR A 48 8.055 -0.663 0.875 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.654 0.007 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.085 -2.443 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.863 -2.501 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.996 -1.828 3.680 1.00 0.00 H new ATOM 716 N LYS A 49 9.491 1.388 0.271 1.00 0.00 N ATOM 717 CA LYS A 49 9.583 2.553 -0.603 1.00 0.00 C ATOM 718 C LYS A 49 8.295 2.738 -1.398 1.00 0.00 C ATOM 719 O LYS A 49 8.202 2.319 -2.553 1.00 0.00 O ATOM 720 CB LYS A 49 10.770 2.407 -1.558 1.00 0.00 C ATOM 721 CG LYS A 49 11.041 3.652 -2.384 1.00 0.00 C ATOM 722 CD LYS A 49 11.703 4.740 -1.554 1.00 0.00 C ATOM 723 CE LYS A 49 13.197 4.494 -1.406 1.00 0.00 C ATOM 724 NZ LYS A 49 13.960 4.991 -2.584 1.00 0.00 N ATOM 0 H LYS A 49 9.503 0.493 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 49 9.734 3.434 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.662 2.162 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.585 1.569 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.681 3.397 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.104 4.027 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.537 5.710 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.240 4.780 -0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.559 4.988 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.379 3.427 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.974 4.805 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.633 4.502 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.807 6.014 -2.690 1.00 0.00 H new ATOM 738 N ILE A 50 7.306 3.370 -0.776 1.00 0.00 N ATOM 739 CA ILE A 50 6.026 3.613 -1.428 1.00 0.00 C ATOM 740 C ILE A 50 6.148 4.697 -2.494 1.00 0.00 C ATOM 741 O ILE A 50 6.655 5.787 -2.229 1.00 0.00 O ATOM 742 CB ILE A 50 4.946 4.029 -0.411 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.772 2.944 0.653 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.627 4.298 -1.120 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.881 3.361 1.801 1.00 0.00 C ATOM 0 H ILE A 50 7.367 3.723 0.179 1.00 0.00 H new ATOM 0 HA ILE A 50 5.729 2.676 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 50 5.266 4.947 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.355 2.052 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.752 2.670 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.874 4.591 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.761 5.101 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.300 3.395 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.803 2.543 2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.307 4.235 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.889 3.607 1.421 1.00 0.00 H new ATOM 757 N GLN A 51 5.680 4.390 -3.699 1.00 0.00 N ATOM 758 CA GLN A 51 5.736 5.339 -4.804 1.00 0.00 C ATOM 759 C GLN A 51 4.364 5.508 -5.448 1.00 0.00 C ATOM 760 O GLN A 51 3.857 4.595 -6.101 1.00 0.00 O ATOM 761 CB GLN A 51 6.750 4.874 -5.853 1.00 0.00 C ATOM 762 CG GLN A 51 7.395 6.014 -6.623 1.00 0.00 C ATOM 763 CD GLN A 51 8.021 5.557 -7.925 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.240 4.364 -8.138 1.00 0.00 O ATOM 765 NE2 GLN A 51 8.316 6.507 -8.806 1.00 0.00 N ATOM 0 H GLN A 51 5.258 3.492 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 51 6.051 6.303 -4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.529 4.293 -5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.252 4.207 -6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.645 6.776 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.159 6.481 -6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.117 7.484 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.741 6.260 -9.700 1.00 0.00 H new ATOM 774 N ILE A 52 3.768 6.680 -5.258 1.00 0.00 N ATOM 775 CA ILE A 52 2.454 6.968 -5.822 1.00 0.00 C ATOM 776 C ILE A 52 2.572 7.792 -7.099 1.00 0.00 C ATOM 777 O ILE A 52 3.323 8.765 -7.173 1.00 0.00 O ATOM 778 CB ILE A 52 1.566 7.725 -4.817 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.435 6.928 -3.517 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.195 7.994 -5.420 1.00 0.00 C ATOM 781 CD1 ILE A 52 1.039 7.774 -2.327 1.00 0.00 C ATOM 0 H ILE A 52 4.173 7.445 -4.719 1.00 0.00 H new ATOM 0 HA ILE A 52 1.992 6.008 -6.054 1.00 0.00 H new ATOM 0 HB ILE A 52 2.035 8.682 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.694 6.141 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.385 6.437 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.421 8.530 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.306 8.598 -6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.283 7.048 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.965 7.144 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.792 8.545 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.075 8.244 -2.520 1.00 0.00 H new ATOM 793 N PRO A 53 1.812 7.395 -8.131 1.00 0.00 N ATOM 794 CA PRO A 53 1.811 8.084 -9.425 1.00 0.00 C ATOM 795 C PRO A 53 1.161 9.461 -9.347 1.00 0.00 C ATOM 796 O PRO A 53 0.276 9.695 -8.524 1.00 0.00 O ATOM 797 CB PRO A 53 0.990 7.155 -10.321 1.00 0.00 C ATOM 798 CG PRO A 53 0.106 6.408 -9.384 1.00 0.00 C ATOM 799 CD PRO A 53 0.894 6.244 -8.113 1.00 0.00 C ATOM 0 HA PRO A 53 2.821 8.267 -9.790 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.408 7.720 -11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.633 6.478 -10.883 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.820 6.954 -9.202 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.172 5.439 -9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.248 6.259 -7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.435 5.298 -8.095 1.00 0.00 H new ATOM 807 N ARG A 54 1.605 10.370 -10.211 1.00 0.00 N ATOM 808 CA ARG A 54 1.067 11.724 -10.239 1.00 0.00 C ATOM 809 C ARG A 54 -0.439 11.705 -10.485 1.00 0.00 C ATOM 810 O ARG A 54 -0.993 10.747 -11.024 1.00 0.00 O ATOM 811 CB ARG A 54 1.762 12.549 -11.323 1.00 0.00 C ATOM 812 CG ARG A 54 3.083 13.153 -10.877 1.00 0.00 C ATOM 813 CD ARG A 54 3.899 13.646 -12.062 1.00 0.00 C ATOM 814 NE ARG A 54 3.568 15.023 -12.418 1.00 0.00 N ATOM 815 CZ ARG A 54 4.271 15.748 -13.283 1.00 0.00 C ATOM 816 NH1 ARG A 54 5.337 15.228 -13.876 1.00 0.00 N ATOM 817 NH2 ARG A 54 3.906 16.994 -13.555 1.00 0.00 N ATOM 0 H ARG A 54 2.336 10.192 -10.900 1.00 0.00 H new ATOM 0 HA ARG A 54 1.253 12.183 -9.268 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.937 11.916 -12.193 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.095 13.350 -11.641 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.893 13.982 -10.195 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.656 12.409 -10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.961 13.578 -11.825 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.722 12.997 -12.920 1.00 0.00 H new ATOM 0 HE ARG A 54 2.753 15.452 -11.979 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.619 14.270 -13.669 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.875 15.786 -14.539 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.086 17.396 -13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.445 17.550 -14.219 1.00 0.00 H new ATOM 831 N PRO A 55 -1.119 12.790 -10.083 1.00 0.00 N ATOM 832 CA PRO A 55 -2.568 12.921 -10.249 1.00 0.00 C ATOM 833 C PRO A 55 -2.972 13.092 -11.710 1.00 0.00 C ATOM 834 O PRO A 55 -4.133 12.899 -12.071 1.00 0.00 O ATOM 835 CB PRO A 55 -2.904 14.184 -9.452 1.00 0.00 C ATOM 836 CG PRO A 55 -1.641 14.974 -9.446 1.00 0.00 C ATOM 837 CD PRO A 55 -0.523 13.969 -9.434 1.00 0.00 C ATOM 0 HA PRO A 55 -3.098 12.031 -9.909 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.717 14.741 -9.917 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.223 13.940 -8.439 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.579 15.616 -10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.591 15.623 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.349 14.331 -9.980 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.194 13.746 -8.419 1.00 0.00 H new ATOM 845 N ASP A 56 -2.005 13.453 -12.547 1.00 0.00 N ATOM 846 CA ASP A 56 -2.259 13.648 -13.970 1.00 0.00 C ATOM 847 C ASP A 56 -1.873 12.404 -14.766 1.00 0.00 C ATOM 848 O ASP A 56 -2.366 12.185 -15.872 1.00 0.00 O ATOM 849 CB ASP A 56 -1.483 14.860 -14.487 1.00 0.00 C ATOM 850 CG ASP A 56 -1.994 16.164 -13.908 1.00 0.00 C ATOM 851 OD1 ASP A 56 -2.633 16.127 -12.836 1.00 0.00 O ATOM 852 OD2 ASP A 56 -1.757 17.222 -14.527 1.00 0.00 O ATOM 0 H ASP A 56 -1.039 13.616 -12.265 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.326 13.826 -14.103 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.428 14.745 -14.240 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.553 14.896 -15.574 1.00 0.00 H new ATOM 857 N ASP A 57 -0.988 11.594 -14.196 1.00 0.00 N ATOM 858 CA ASP A 57 -0.536 10.373 -14.851 1.00 0.00 C ATOM 859 C ASP A 57 -1.652 9.335 -14.896 1.00 0.00 C ATOM 860 O ASP A 57 -2.405 9.155 -13.939 1.00 0.00 O ATOM 861 CB ASP A 57 0.682 9.799 -14.124 1.00 0.00 C ATOM 862 CG ASP A 57 1.586 9.005 -15.048 1.00 0.00 C ATOM 863 OD1 ASP A 57 1.287 7.818 -15.296 1.00 0.00 O ATOM 864 OD2 ASP A 57 2.593 9.572 -15.522 1.00 0.00 O ATOM 0 H ASP A 57 -0.569 11.761 -13.281 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.255 10.622 -15.874 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.251 10.613 -13.675 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.346 9.158 -13.309 1.00 0.00 H new ATOM 869 N PRO A 58 -1.765 8.634 -16.035 1.00 0.00 N ATOM 870 CA PRO A 58 -2.787 7.602 -16.232 1.00 0.00 C ATOM 871 C PRO A 58 -2.533 6.363 -15.380 1.00 0.00 C ATOM 872 O PRO A 58 -3.264 5.377 -15.468 1.00 0.00 O ATOM 873 CB PRO A 58 -2.665 7.262 -17.720 1.00 0.00 C ATOM 874 CG PRO A 58 -1.262 7.614 -18.075 1.00 0.00 C ATOM 875 CD PRO A 58 -0.901 8.795 -17.217 1.00 0.00 C ATOM 0 HA PRO A 58 -3.778 7.949 -15.939 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.867 6.207 -17.903 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.379 7.831 -18.316 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.590 6.776 -17.888 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.177 7.860 -19.133 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.155 8.788 -16.947 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.093 9.738 -17.730 1.00 0.00 H new ATOM 883 N SER A 59 -1.492 6.421 -14.556 1.00 0.00 N ATOM 884 CA SER A 59 -1.139 5.302 -13.690 1.00 0.00 C ATOM 885 C SER A 59 -1.695 5.508 -12.284 1.00 0.00 C ATOM 886 O SER A 59 -1.349 6.472 -11.602 1.00 0.00 O ATOM 887 CB SER A 59 0.381 5.135 -13.630 1.00 0.00 C ATOM 888 OG SER A 59 0.870 4.498 -14.798 1.00 0.00 O ATOM 0 H SER A 59 -0.878 7.231 -14.470 1.00 0.00 H new ATOM 0 HA SER A 59 -1.580 4.397 -14.108 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.853 6.111 -13.519 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.651 4.549 -12.752 1.00 0.00 H new ATOM 0 HG SER A 59 1.844 4.404 -14.736 1.00 0.00 H new ATOM 894 N ASN A 60 -2.559 4.592 -11.857 1.00 0.00 N ATOM 895 CA ASN A 60 -3.164 4.672 -10.532 1.00 0.00 C ATOM 896 C ASN A 60 -2.795 3.453 -9.691 1.00 0.00 C ATOM 897 O ASN A 60 -3.566 3.021 -8.836 1.00 0.00 O ATOM 898 CB ASN A 60 -4.686 4.782 -10.649 1.00 0.00 C ATOM 899 CG ASN A 60 -5.274 3.716 -11.553 1.00 0.00 C ATOM 900 OD1 ASN A 60 -5.178 3.802 -12.778 1.00 0.00 O ATOM 901 ND2 ASN A 60 -5.889 2.704 -10.953 1.00 0.00 N ATOM 0 H ASN A 60 -2.855 3.787 -12.409 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.779 5.564 -10.037 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.131 4.700 -9.657 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.948 5.767 -11.035 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.305 1.958 -11.510 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.945 2.673 -9.935 1.00 0.00 H new ATOM 908 N GLN A 61 -1.609 2.906 -9.941 1.00 0.00 N ATOM 909 CA GLN A 61 -1.138 1.738 -9.207 1.00 0.00 C ATOM 910 C GLN A 61 0.045 2.097 -8.314 1.00 0.00 C ATOM 911 O GLN A 61 1.086 2.542 -8.797 1.00 0.00 O ATOM 912 CB GLN A 61 -0.740 0.625 -10.179 1.00 0.00 C ATOM 913 CG GLN A 61 0.305 1.053 -11.197 1.00 0.00 C ATOM 914 CD GLN A 61 0.369 0.124 -12.393 1.00 0.00 C ATOM 915 OE1 GLN A 61 0.273 0.562 -13.539 1.00 0.00 O ATOM 916 NE2 GLN A 61 0.530 -1.168 -12.132 1.00 0.00 N ATOM 0 H GLN A 61 -0.958 3.253 -10.645 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.952 1.384 -8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.356 -0.222 -9.611 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.629 0.279 -10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.082 2.064 -11.538 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.283 1.088 -10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.605 -1.488 -11.166 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.579 -1.841 -12.897 1.00 0.00 H new ATOM 925 N ILE A 62 -0.124 1.901 -7.011 1.00 0.00 N ATOM 926 CA ILE A 62 0.931 2.205 -6.051 1.00 0.00 C ATOM 927 C ILE A 62 2.038 1.158 -6.101 1.00 0.00 C ATOM 928 O ILE A 62 1.787 -0.015 -6.378 1.00 0.00 O ATOM 929 CB ILE A 62 0.379 2.282 -4.615 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.399 3.585 -4.414 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.513 2.176 -3.605 1.00 0.00 C ATOM 932 CD1 ILE A 62 -1.050 3.697 -3.053 1.00 0.00 C ATOM 0 H ILE A 62 -0.980 1.534 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 62 1.340 3.177 -6.328 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.302 1.445 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.278 4.428 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.168 3.662 -5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.107 2.232 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.029 1.225 -3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.216 2.995 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.583 4.645 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.752 2.874 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.284 3.652 -2.279 1.00 0.00 H new ATOM 944 N LYS A 63 3.265 1.589 -5.831 1.00 0.00 N ATOM 945 CA LYS A 63 4.413 0.689 -5.842 1.00 0.00 C ATOM 946 C LYS A 63 4.984 0.518 -4.438 1.00 0.00 C ATOM 947 O LYS A 63 5.165 1.493 -3.708 1.00 0.00 O ATOM 948 CB LYS A 63 5.495 1.223 -6.783 1.00 0.00 C ATOM 949 CG LYS A 63 6.882 0.677 -6.486 1.00 0.00 C ATOM 950 CD LYS A 63 7.836 0.919 -7.644 1.00 0.00 C ATOM 951 CE LYS A 63 7.801 -0.226 -8.644 1.00 0.00 C ATOM 952 NZ LYS A 63 8.797 -1.282 -8.313 1.00 0.00 N ATOM 0 H LYS A 63 3.491 2.557 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 63 4.077 -0.285 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.227 0.973 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.519 2.311 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.275 1.149 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.818 -0.392 -6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.572 1.850 -8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.850 1.039 -7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.802 -0.662 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.999 0.159 -9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.453 -2.203 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.704 -1.060 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.931 -1.322 -7.282 1.00 0.00 H new ATOM 966 N ILE A 64 5.265 -0.727 -4.068 1.00 0.00 N ATOM 967 CA ILE A 64 5.818 -1.025 -2.752 1.00 0.00 C ATOM 968 C ILE A 64 7.042 -1.928 -2.861 1.00 0.00 C ATOM 969 O ILE A 64 6.960 -3.044 -3.376 1.00 0.00 O ATOM 970 CB ILE A 64 4.775 -1.701 -1.843 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.765 -2.485 -2.684 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.065 -0.662 -0.987 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.789 -3.294 -1.858 1.00 0.00 C ATOM 0 H ILE A 64 5.119 -1.545 -4.660 1.00 0.00 H new ATOM 0 HA ILE A 64 6.111 -0.073 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 64 5.289 -2.399 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.208 -1.789 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.304 -3.155 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.331 -1.155 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.794 -0.143 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.560 0.058 -1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.103 -3.823 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.336 -4.015 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.223 -2.627 -1.207 1.00 0.00 H new ATOM 985 N THR A 65 8.177 -1.440 -2.371 1.00 0.00 N ATOM 986 CA THR A 65 9.418 -2.202 -2.414 1.00 0.00 C ATOM 987 C THR A 65 10.030 -2.332 -1.023 1.00 0.00 C ATOM 988 O THR A 65 9.926 -1.423 -0.200 1.00 0.00 O ATOM 989 CB THR A 65 10.447 -1.549 -3.356 1.00 0.00 C ATOM 990 OG1 THR A 65 9.861 -1.326 -4.643 1.00 0.00 O ATOM 991 CG2 THR A 65 11.682 -2.426 -3.500 1.00 0.00 C ATOM 0 H THR A 65 8.262 -0.520 -1.939 1.00 0.00 H new ATOM 0 HA THR A 65 9.168 -3.193 -2.793 1.00 0.00 H new ATOM 0 HB THR A 65 10.747 -0.594 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.521 -0.909 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.394 -1.944 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.143 -2.569 -2.523 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.395 -3.394 -3.911 1.00 0.00 H new ATOM 999 N GLY A 66 10.670 -3.471 -0.767 1.00 0.00 N ATOM 1000 CA GLY A 66 11.290 -3.698 0.525 1.00 0.00 C ATOM 1001 C GLY A 66 11.390 -5.171 0.867 1.00 0.00 C ATOM 1002 O GLY A 66 11.505 -6.018 -0.020 1.00 0.00 O ATOM 0 H GLY A 66 10.769 -4.239 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.287 -3.258 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.714 -3.187 1.296 1.00 0.00 H new ATOM 1006 N THR A 67 11.348 -5.481 2.160 1.00 0.00 N ATOM 1007 CA THR A 67 11.439 -6.861 2.619 1.00 0.00 C ATOM 1008 C THR A 67 10.106 -7.583 2.452 1.00 0.00 C ATOM 1009 O THR A 67 9.042 -6.993 2.629 1.00 0.00 O ATOM 1010 CB THR A 67 11.868 -6.935 4.096 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.915 -6.253 4.919 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.246 -6.320 4.290 1.00 0.00 C ATOM 0 H THR A 67 11.251 -4.794 2.908 1.00 0.00 H new ATOM 0 HA THR A 67 12.195 -7.350 2.005 1.00 0.00 H new ATOM 0 HB THR A 67 11.911 -7.985 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.195 -6.307 5.857 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.528 -6.384 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.974 -6.861 3.685 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.224 -5.274 3.983 1.00 0.00 H new ATOM 1020 N LYS A 68 10.173 -8.866 2.111 1.00 0.00 N ATOM 1021 CA LYS A 68 8.972 -9.672 1.922 1.00 0.00 C ATOM 1022 C LYS A 68 7.918 -9.330 2.970 1.00 0.00 C ATOM 1023 O LYS A 68 6.723 -9.320 2.680 1.00 0.00 O ATOM 1024 CB LYS A 68 9.316 -11.161 1.995 1.00 0.00 C ATOM 1025 CG LYS A 68 8.147 -12.071 1.660 1.00 0.00 C ATOM 1026 CD LYS A 68 7.890 -12.122 0.163 1.00 0.00 C ATOM 1027 CE LYS A 68 8.852 -13.070 -0.536 1.00 0.00 C ATOM 1028 NZ LYS A 68 8.522 -14.496 -0.263 1.00 0.00 N ATOM 0 H LYS A 68 11.047 -9.370 1.960 1.00 0.00 H new ATOM 0 HA LYS A 68 8.565 -9.448 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.137 -11.370 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.672 -11.395 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.350 -13.076 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.252 -11.718 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.864 -12.442 -0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.992 -11.122 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.823 -12.890 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.870 -12.863 -0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.036 -15.105 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.800 -14.737 0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.499 -14.644 -0.377 1.00 0.00 H new ATOM 1042 N GLU A 69 8.370 -9.050 4.189 1.00 0.00 N ATOM 1043 CA GLU A 69 7.464 -8.708 5.279 1.00 0.00 C ATOM 1044 C GLU A 69 7.047 -7.242 5.199 1.00 0.00 C ATOM 1045 O GLU A 69 5.881 -6.906 5.398 1.00 0.00 O ATOM 1046 CB GLU A 69 8.126 -8.989 6.629 1.00 0.00 C ATOM 1047 CG GLU A 69 8.517 -10.444 6.825 1.00 0.00 C ATOM 1048 CD GLU A 69 9.691 -10.612 7.770 1.00 0.00 C ATOM 1049 OE1 GLU A 69 10.844 -10.469 7.313 1.00 0.00 O ATOM 1050 OE2 GLU A 69 9.456 -10.886 8.965 1.00 0.00 O ATOM 0 H GLU A 69 9.357 -9.053 4.446 1.00 0.00 H new ATOM 0 HA GLU A 69 6.572 -9.327 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.016 -8.367 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.444 -8.694 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.661 -10.997 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.768 -10.882 5.859 1.00 0.00 H new ATOM 1057 N GLY A 70 8.011 -6.373 4.908 1.00 0.00 N ATOM 1058 CA GLY A 70 7.725 -4.954 4.809 1.00 0.00 C ATOM 1059 C GLY A 70 6.640 -4.651 3.795 1.00 0.00 C ATOM 1060 O GLY A 70 5.605 -4.077 4.137 1.00 0.00 O ATOM 0 H GLY A 70 8.984 -6.627 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.420 -4.579 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.635 -4.421 4.533 1.00 0.00 H new ATOM 1064 N ILE A 71 6.876 -5.034 2.545 1.00 0.00 N ATOM 1065 CA ILE A 71 5.911 -4.799 1.479 1.00 0.00 C ATOM 1066 C ILE A 71 4.536 -5.345 1.852 1.00 0.00 C ATOM 1067 O ILE A 71 3.520 -4.679 1.657 1.00 0.00 O ATOM 1068 CB ILE A 71 6.365 -5.444 0.156 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.727 -4.888 -0.267 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.328 -5.207 -0.933 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.392 -5.689 -1.363 1.00 0.00 C ATOM 0 H ILE A 71 7.728 -5.509 2.246 1.00 0.00 H new ATOM 0 HA ILE A 71 5.847 -3.719 1.344 1.00 0.00 H new ATOM 0 HB ILE A 71 6.464 -6.519 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.601 -3.859 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.385 -4.860 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.663 -5.669 -1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.377 -5.647 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.200 -4.135 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.352 -5.238 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.550 -6.712 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.754 -5.696 -2.247 1.00 0.00 H new ATOM 1083 N GLU A 72 4.515 -6.560 2.391 1.00 0.00 N ATOM 1084 CA GLU A 72 3.264 -7.194 2.792 1.00 0.00 C ATOM 1085 C GLU A 72 2.464 -6.282 3.718 1.00 0.00 C ATOM 1086 O GLU A 72 1.265 -6.077 3.523 1.00 0.00 O ATOM 1087 CB GLU A 72 3.544 -8.528 3.489 1.00 0.00 C ATOM 1088 CG GLU A 72 3.837 -9.667 2.527 1.00 0.00 C ATOM 1089 CD GLU A 72 2.580 -10.251 1.913 1.00 0.00 C ATOM 1090 OE1 GLU A 72 1.761 -9.471 1.384 1.00 0.00 O ATOM 1091 OE2 GLU A 72 2.415 -11.487 1.962 1.00 0.00 O ATOM 0 H GLU A 72 5.348 -7.124 2.560 1.00 0.00 H new ATOM 0 HA GLU A 72 2.675 -7.378 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.392 -8.405 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.684 -8.795 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.491 -9.307 1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.378 -10.453 3.054 1.00 0.00 H new ATOM 1098 N LYS A 73 3.135 -5.737 4.726 1.00 0.00 N ATOM 1099 CA LYS A 73 2.490 -4.846 5.684 1.00 0.00 C ATOM 1100 C LYS A 73 1.790 -3.694 4.967 1.00 0.00 C ATOM 1101 O LYS A 73 0.585 -3.499 5.118 1.00 0.00 O ATOM 1102 CB LYS A 73 3.518 -4.296 6.674 1.00 0.00 C ATOM 1103 CG LYS A 73 3.943 -5.301 7.730 1.00 0.00 C ATOM 1104 CD LYS A 73 5.351 -5.021 8.231 1.00 0.00 C ATOM 1105 CE LYS A 73 5.673 -5.838 9.473 1.00 0.00 C ATOM 1106 NZ LYS A 73 7.083 -5.650 9.912 1.00 0.00 N ATOM 0 H LYS A 73 4.127 -5.897 4.902 1.00 0.00 H new ATOM 0 HA LYS A 73 1.742 -5.420 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.399 -3.965 6.124 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.101 -3.418 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.245 -5.269 8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.897 -6.308 7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.071 -5.252 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.454 -3.959 8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.000 -5.551 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.494 -6.894 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.262 -6.224 10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.726 -5.948 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.248 -4.647 10.131 1.00 0.00 H new ATOM 1120 N ALA A 74 2.555 -2.936 4.190 1.00 0.00 N ATOM 1121 CA ALA A 74 2.008 -1.806 3.449 1.00 0.00 C ATOM 1122 C ALA A 74 0.940 -2.263 2.459 1.00 0.00 C ATOM 1123 O ALA A 74 -0.041 -1.558 2.221 1.00 0.00 O ATOM 1124 CB ALA A 74 3.119 -1.063 2.722 1.00 0.00 C ATOM 0 H ALA A 74 3.555 -3.083 4.057 1.00 0.00 H new ATOM 0 HA ALA A 74 1.539 -1.129 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.696 -0.222 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.845 -0.695 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.613 -1.739 2.025 1.00 0.00 H new ATOM 1130 N ARG A 75 1.138 -3.446 1.888 1.00 0.00 N ATOM 1131 CA ARG A 75 0.193 -3.996 0.923 1.00 0.00 C ATOM 1132 C ARG A 75 -1.121 -4.369 1.602 1.00 0.00 C ATOM 1133 O ARG A 75 -2.195 -4.236 1.015 1.00 0.00 O ATOM 1134 CB ARG A 75 0.792 -5.224 0.234 1.00 0.00 C ATOM 1135 CG ARG A 75 0.286 -5.434 -1.184 1.00 0.00 C ATOM 1136 CD ARG A 75 0.813 -6.731 -1.777 1.00 0.00 C ATOM 1137 NE ARG A 75 0.073 -7.894 -1.293 1.00 0.00 N ATOM 1138 CZ ARG A 75 -1.175 -8.172 -1.650 1.00 0.00 C ATOM 1139 NH1 ARG A 75 -1.821 -7.375 -2.491 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -1.780 -9.249 -1.166 1.00 0.00 N ATOM 0 H ARG A 75 1.944 -4.042 2.076 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.010 -3.231 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.877 -5.125 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.565 -6.110 0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.804 -5.449 -1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.593 -4.596 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.747 -6.686 -2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.868 -6.842 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 75 0.541 -8.527 -0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.359 -6.546 -2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.780 -7.591 -2.764 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.286 -9.864 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.739 -9.462 -1.441 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.028 -4.838 2.842 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.209 -5.232 3.601 1.00 0.00 C ATOM 1156 C HIS A 76 -2.971 -4.005 4.093 1.00 0.00 C ATOM 1157 O HIS A 76 -4.202 -3.984 4.085 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.810 -6.109 4.789 1.00 0.00 C ATOM 1159 CG HIS A 76 -2.954 -6.877 5.376 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.457 -8.029 4.810 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.692 -6.652 6.489 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.456 -8.479 5.548 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.619 -7.662 6.573 1.00 0.00 N ATOM 0 H HIS A 76 -0.147 -4.954 3.343 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.861 -5.804 2.941 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.038 -6.809 4.470 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.370 -5.480 5.563 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.574 -5.832 7.181 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.040 -9.365 5.347 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.319 -7.764 7.307 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.232 -2.987 4.522 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.840 -1.759 5.019 1.00 0.00 C ATOM 1173 C GLU A 77 -3.479 -0.968 3.881 1.00 0.00 C ATOM 1174 O GLU A 77 -4.633 -0.549 3.973 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.793 -0.897 5.728 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.240 -1.530 6.995 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.247 -1.542 8.128 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -2.754 -0.457 8.483 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.527 -2.636 8.661 1.00 0.00 O ATOM 0 H GLU A 77 -1.212 -2.989 4.535 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.619 -2.032 5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.970 -0.701 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.237 0.067 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.928 -2.552 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.350 -0.985 7.310 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.720 -0.768 2.808 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.211 -0.029 1.651 1.00 0.00 C ATOM 1188 C VAL A 78 -4.468 -0.675 1.079 1.00 0.00 C ATOM 1189 O VAL A 78 -5.370 0.013 0.599 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.142 0.056 0.545 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -1.964 -1.294 -0.131 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.513 1.126 -0.471 1.00 0.00 C ATOM 0 H VAL A 78 -1.763 -1.108 2.716 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.448 0.978 1.995 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.192 0.334 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.205 -1.214 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.650 -2.032 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.909 -1.605 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.748 1.173 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.473 0.880 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.584 2.092 0.028 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.522 -2.002 1.134 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.669 -2.742 0.621 1.00 0.00 C ATOM 1204 C LEU A 79 -6.856 -2.635 1.573 1.00 0.00 C ATOM 1205 O LEU A 79 -8.003 -2.512 1.141 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.300 -4.212 0.412 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.567 -4.542 -0.889 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.775 -5.832 -0.742 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.552 -4.647 -2.044 1.00 0.00 C ATOM 0 H LEU A 79 -3.785 -2.587 1.529 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.954 -2.305 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.677 -4.532 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.214 -4.804 0.451 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.869 -3.734 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.260 -6.051 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.043 -5.720 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.454 -6.650 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.013 -4.882 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.275 -5.436 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.075 -3.698 -2.164 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.574 -2.680 2.870 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.618 -2.585 3.885 1.00 0.00 C ATOM 1223 C LEU A 80 -8.334 -1.241 3.805 1.00 0.00 C ATOM 1224 O LEU A 80 -9.557 -1.171 3.923 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.019 -2.775 5.280 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.970 -4.211 5.800 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.122 -4.295 7.058 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.376 -4.730 6.066 1.00 0.00 C ATOM 0 H LEU A 80 -5.631 -2.782 3.244 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.346 -3.375 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.004 -2.377 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.594 -2.174 5.985 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.511 -4.838 5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.099 -5.325 7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.107 -3.965 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.551 -3.655 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.322 -5.754 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.861 -4.100 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.953 -4.708 5.141 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.564 -0.177 3.599 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.126 1.164 3.500 1.00 0.00 C ATOM 1242 C ILE A 81 -9.006 1.301 2.262 1.00 0.00 C ATOM 1243 O ILE A 81 -10.186 1.636 2.360 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.021 2.235 3.451 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.173 2.182 4.724 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.630 3.618 3.272 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.738 2.614 4.512 1.00 0.00 C ATOM 0 H ILE A 81 -6.550 -0.218 3.498 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.732 1.319 4.393 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.375 2.031 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.628 2.820 5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.184 1.165 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.836 4.364 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.195 3.649 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.296 3.833 4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.196 2.551 5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.266 1.961 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.717 3.642 4.149 1.00 0.00 H new ATOM 1259 N SER A 82 -8.423 1.038 1.096 1.00 0.00 N ATOM 1260 CA SER A 82 -9.153 1.133 -0.163 1.00 0.00 C ATOM 1261 C SER A 82 -10.438 0.312 -0.109 1.00 0.00 C ATOM 1262 O SER A 82 -11.500 0.773 -0.526 1.00 0.00 O ATOM 1263 CB SER A 82 -8.278 0.654 -1.321 1.00 0.00 C ATOM 1264 OG SER A 82 -9.032 0.533 -2.515 1.00 0.00 O ATOM 0 H SER A 82 -7.447 0.758 0.997 1.00 0.00 H new ATOM 0 HA SER A 82 -9.416 2.178 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.458 1.355 -1.475 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.832 -0.308 -1.070 1.00 0.00 H new ATOM 0 HG SER A 82 -9.425 1.401 -2.743 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.333 -0.907 0.409 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.486 -1.793 0.520 1.00 0.00 C ATOM 1272 C ALA A 83 -12.617 -1.125 1.295 1.00 0.00 C ATOM 1273 O ALA A 83 -13.744 -1.032 0.808 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.085 -3.100 1.186 1.00 0.00 C ATOM 0 H ALA A 83 -9.461 -1.304 0.759 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.847 -2.008 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.955 -3.752 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.315 -3.591 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.696 -2.896 2.184 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.309 -0.665 2.503 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.302 -0.009 3.345 1.00 0.00 C ATOM 1282 C GLU A 84 -14.018 1.099 2.579 1.00 0.00 C ATOM 1283 O GLU A 84 -15.237 1.243 2.671 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.639 0.569 4.598 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.580 -0.408 5.760 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.943 -0.670 6.372 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.475 0.237 7.044 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.476 -1.782 6.179 1.00 0.00 O ATOM 0 H GLU A 84 -11.381 -0.734 2.920 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.038 -0.755 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.626 0.887 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.185 1.459 4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.153 -1.350 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.911 -0.016 6.526 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.251 1.881 1.825 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.811 2.977 1.045 1.00 0.00 C ATOM 1297 C GLN A 85 -14.901 2.474 0.103 1.00 0.00 C ATOM 1298 O GLN A 85 -16.026 2.972 0.117 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.712 3.675 0.243 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.625 4.290 1.111 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.177 5.249 2.147 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.223 5.867 1.943 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.476 5.379 3.267 1.00 0.00 N ATOM 0 H GLN A 85 -12.240 1.775 1.738 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.255 3.692 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.258 2.956 -0.439 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.161 4.456 -0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.074 3.495 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.914 4.818 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.615 4.848 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.799 6.010 4.000 1.00 0.00 H new