USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=14 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 51 GLN : amide:sc= 0 X(o=-0.86,f=-0.86) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 153:sc= -0.856 (180deg=-1.71) USER MOD Set 2.1: A 46 THR OG1 : rot -62:sc= 2.31 USER MOD Set 2.2: A 48 THR OG1 : rot -87:sc= 1.23 USER MOD Set 3.1: A 34 LYS NZ :NH3+ 168:sc=-0.00625 (180deg=-0.123) USER MOD Set 3.2: A 35 ASN :FLIP amide:sc= 0 F(o=-0.7,f=-0.0062) USER MOD Set 4.1: A 25 LYS NZ :NH3+ 168:sc= -0.615 (180deg=-0.00493) USER MOD Set 4.2: A 28 HIS : no HD1:sc= -4.38! C(o=-5!,f=-18!) 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 27 HIS : no HD1:sc= -9.55! C(o=-9.6!,f=-12!) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.129) USER MOD Single : A 40 GLN : amide:sc= -1.53 K(o=-1.5,f=-3!) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -4.81! (180deg=-5.13!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.762 K(o=0.76,f=-1.1) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot -124:sc= -1.68 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.267 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.43) USER MOD Single : A 82 SER OG : rot 87:sc= 0.884 USER MOD Single : A 85 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.125 -7.490 -3.544 1.00 0.00 N ATOM 215 CA ALA A 17 10.915 -7.628 -4.345 1.00 0.00 C ATOM 216 C ALA A 17 10.127 -6.323 -4.377 1.00 0.00 C ATOM 217 O ALA A 17 10.316 -5.451 -3.528 1.00 0.00 O ATOM 218 CB ALA A 17 10.052 -8.757 -3.805 1.00 0.00 C ATOM 0 HA ALA A 17 11.209 -7.868 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.152 -8.849 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.611 -9.692 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.773 -8.541 -2.774 1.00 0.00 H new ATOM 224 N SER A 18 9.242 -6.196 -5.361 1.00 0.00 N ATOM 225 CA SER A 18 8.428 -4.995 -5.505 1.00 0.00 C ATOM 226 C SER A 18 7.036 -5.342 -6.026 1.00 0.00 C ATOM 227 O SER A 18 6.886 -5.863 -7.131 1.00 0.00 O ATOM 228 CB SER A 18 9.106 -4.004 -6.453 1.00 0.00 C ATOM 229 OG SER A 18 9.822 -4.680 -7.470 1.00 0.00 O ATOM 0 H SER A 18 9.071 -6.910 -6.070 1.00 0.00 H new ATOM 0 HA SER A 18 8.326 -4.535 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.355 -3.355 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.785 -3.364 -5.890 1.00 0.00 H new ATOM 0 HG SER A 18 10.245 -4.025 -8.064 1.00 0.00 H new ATOM 235 N ALA A 19 6.019 -5.051 -5.220 1.00 0.00 N ATOM 236 CA ALA A 19 4.640 -5.329 -5.599 1.00 0.00 C ATOM 237 C ALA A 19 3.874 -4.040 -5.870 1.00 0.00 C ATOM 238 O ALA A 19 4.356 -2.945 -5.579 1.00 0.00 O ATOM 239 CB ALA A 19 3.948 -6.139 -4.512 1.00 0.00 C ATOM 0 H ALA A 19 6.125 -4.623 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 19 4.653 -5.912 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.918 -6.340 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.475 -7.082 -4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.954 -5.576 -3.579 1.00 0.00 H new ATOM 245 N THR A 20 2.675 -4.174 -6.430 1.00 0.00 N ATOM 246 CA THR A 20 1.843 -3.020 -6.742 1.00 0.00 C ATOM 247 C THR A 20 0.380 -3.289 -6.405 1.00 0.00 C ATOM 248 O THR A 20 -0.067 -4.436 -6.414 1.00 0.00 O ATOM 249 CB THR A 20 1.953 -2.633 -8.228 1.00 0.00 C ATOM 250 OG1 THR A 20 2.080 -3.810 -9.033 1.00 0.00 O ATOM 251 CG2 THR A 20 3.148 -1.721 -8.464 1.00 0.00 C ATOM 0 H THR A 20 2.259 -5.072 -6.677 1.00 0.00 H new ATOM 0 HA THR A 20 2.208 -2.194 -6.132 1.00 0.00 H new ATOM 0 HB THR A 20 1.046 -2.097 -8.508 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.148 -3.555 -9.977 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.204 -1.461 -9.521 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.035 -0.812 -7.873 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.062 -2.235 -8.167 1.00 0.00 H new ATOM 259 N VAL A 21 -0.360 -2.225 -6.111 1.00 0.00 N ATOM 260 CA VAL A 21 -1.773 -2.347 -5.774 1.00 0.00 C ATOM 261 C VAL A 21 -2.619 -1.377 -6.590 1.00 0.00 C ATOM 262 O VAL A 21 -2.512 -0.161 -6.434 1.00 0.00 O ATOM 263 CB VAL A 21 -2.017 -2.088 -4.275 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.421 -0.752 -3.860 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.504 -2.137 -3.962 1.00 0.00 C ATOM 0 H VAL A 21 -0.004 -1.269 -6.099 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.067 -3.369 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.522 -2.873 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.603 -0.586 -2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.347 -0.759 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.885 0.048 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.658 -1.952 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.023 -1.374 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.898 -3.120 -4.220 1.00 0.00 H new ATOM 275 N ALA A 22 -3.461 -1.923 -7.462 1.00 0.00 N ATOM 276 CA ALA A 22 -4.327 -1.106 -8.302 1.00 0.00 C ATOM 277 C ALA A 22 -5.452 -0.480 -7.486 1.00 0.00 C ATOM 278 O ALA A 22 -6.311 -1.184 -6.953 1.00 0.00 O ATOM 279 CB ALA A 22 -4.898 -1.939 -9.440 1.00 0.00 C ATOM 0 H ALA A 22 -3.561 -2.928 -7.605 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.727 -0.299 -8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.543 -1.316 -10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.083 -2.333 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.478 -2.766 -9.030 1.00 0.00 H new ATOM 285 N ILE A 23 -5.442 0.845 -7.390 1.00 0.00 N ATOM 286 CA ILE A 23 -6.462 1.565 -6.638 1.00 0.00 C ATOM 287 C ILE A 23 -6.838 2.870 -7.331 1.00 0.00 C ATOM 288 O ILE A 23 -6.072 3.427 -8.118 1.00 0.00 O ATOM 289 CB ILE A 23 -5.991 1.875 -5.205 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.512 2.264 -5.203 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.230 0.677 -4.298 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.995 2.670 -3.842 1.00 0.00 C ATOM 0 H ILE A 23 -4.738 1.442 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.337 0.916 -6.592 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.569 2.717 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.923 1.423 -5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.361 3.088 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.892 0.912 -3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.294 0.442 -4.279 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.675 -0.182 -4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.940 2.932 -3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.558 3.531 -3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.114 1.840 -3.145 1.00 0.00 H new ATOM 304 N PRO A 24 -8.045 3.372 -7.033 1.00 0.00 N ATOM 305 CA PRO A 24 -8.550 4.619 -7.614 1.00 0.00 C ATOM 306 C PRO A 24 -7.803 5.844 -7.097 1.00 0.00 C ATOM 307 O PRO A 24 -7.411 5.899 -5.931 1.00 0.00 O ATOM 308 CB PRO A 24 -10.012 4.655 -7.164 1.00 0.00 C ATOM 309 CG PRO A 24 -10.045 3.837 -5.919 1.00 0.00 C ATOM 310 CD PRO A 24 -9.010 2.762 -6.103 1.00 0.00 C ATOM 0 HA PRO A 24 -8.423 4.644 -8.696 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.343 5.676 -6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.671 4.242 -7.927 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.822 4.448 -5.044 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.033 3.405 -5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.540 2.491 -5.158 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.445 1.852 -6.516 1.00 0.00 H new ATOM 318 N LYS A 25 -7.610 6.827 -7.970 1.00 0.00 N ATOM 319 CA LYS A 25 -6.912 8.053 -7.602 1.00 0.00 C ATOM 320 C LYS A 25 -7.551 8.694 -6.375 1.00 0.00 C ATOM 321 O LYS A 25 -6.961 9.572 -5.745 1.00 0.00 O ATOM 322 CB LYS A 25 -6.922 9.040 -8.771 1.00 0.00 C ATOM 323 CG LYS A 25 -5.709 9.954 -8.805 1.00 0.00 C ATOM 324 CD LYS A 25 -4.579 9.351 -9.622 1.00 0.00 C ATOM 325 CE LYS A 25 -3.219 9.807 -9.113 1.00 0.00 C ATOM 326 NZ LYS A 25 -2.821 9.088 -7.871 1.00 0.00 N ATOM 0 H LYS A 25 -7.928 6.798 -8.939 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.880 7.797 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.973 8.482 -9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.824 9.649 -8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.991 10.918 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.364 10.141 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.638 8.263 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.692 9.637 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.468 9.641 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.245 10.879 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.817 9.272 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.401 9.423 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.966 8.066 -8.000 1.00 0.00 H new ATOM 340 N GLU A 26 -8.759 8.250 -6.041 1.00 0.00 N ATOM 341 CA GLU A 26 -9.477 8.782 -4.889 1.00 0.00 C ATOM 342 C GLU A 26 -8.949 8.175 -3.592 1.00 0.00 C ATOM 343 O GLU A 26 -9.012 8.797 -2.530 1.00 0.00 O ATOM 344 CB GLU A 26 -10.975 8.506 -5.021 1.00 0.00 C ATOM 345 CG GLU A 26 -11.374 7.100 -4.607 1.00 0.00 C ATOM 346 CD GLU A 26 -12.602 6.601 -5.343 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.656 7.265 -5.259 1.00 0.00 O ATOM 348 OE2 GLU A 26 -12.507 5.546 -6.005 1.00 0.00 O ATOM 0 H GLU A 26 -9.261 7.523 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.315 9.860 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.523 9.224 -4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.276 8.670 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.542 6.421 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.566 7.082 -3.534 1.00 0.00 H new ATOM 355 N HIS A 27 -8.428 6.955 -3.685 1.00 0.00 N ATOM 356 CA HIS A 27 -7.889 6.262 -2.520 1.00 0.00 C ATOM 357 C HIS A 27 -6.409 6.579 -2.336 1.00 0.00 C ATOM 358 O HIS A 27 -5.829 6.301 -1.286 1.00 0.00 O ATOM 359 CB HIS A 27 -8.086 4.753 -2.661 1.00 0.00 C ATOM 360 CG HIS A 27 -9.524 4.336 -2.689 1.00 0.00 C ATOM 361 ND1 HIS A 27 -9.935 3.077 -3.070 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.650 5.020 -2.378 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.252 3.004 -2.995 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.711 4.170 -2.576 1.00 0.00 N ATOM 0 H HIS A 27 -8.368 6.426 -4.555 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.429 6.610 -1.639 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.601 4.416 -3.577 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.587 4.251 -1.832 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.704 6.044 -2.038 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.852 2.138 -3.235 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.693 4.401 -2.424 1.00 0.00 H new ATOM 372 N HIS A 28 -5.801 7.164 -3.364 1.00 0.00 N ATOM 373 CA HIS A 28 -4.387 7.519 -3.316 1.00 0.00 C ATOM 374 C HIS A 28 -4.137 8.613 -2.282 1.00 0.00 C ATOM 375 O HIS A 28 -3.106 8.620 -1.610 1.00 0.00 O ATOM 376 CB HIS A 28 -3.909 7.982 -4.692 1.00 0.00 C ATOM 377 CG HIS A 28 -3.494 6.858 -5.592 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.334 6.878 -6.335 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.094 5.676 -5.864 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.237 5.757 -7.027 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.293 5.009 -6.759 1.00 0.00 N ATOM 0 H HIS A 28 -6.266 7.402 -4.240 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.824 6.632 -3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.707 8.546 -5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.068 8.664 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.029 5.323 -5.454 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.432 5.496 -7.698 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.482 4.087 -7.152 1.00 0.00 H new ATOM 389 N ARG A 29 -5.086 9.535 -2.161 1.00 0.00 N ATOM 390 CA ARG A 29 -4.967 10.634 -1.211 1.00 0.00 C ATOM 391 C ARG A 29 -5.177 10.143 0.217 1.00 0.00 C ATOM 392 O ARG A 29 -4.678 10.742 1.171 1.00 0.00 O ATOM 393 CB ARG A 29 -5.982 11.732 -1.540 1.00 0.00 C ATOM 394 CG ARG A 29 -7.425 11.310 -1.326 1.00 0.00 C ATOM 395 CD ARG A 29 -8.323 12.509 -1.066 1.00 0.00 C ATOM 396 NE ARG A 29 -8.113 13.073 0.265 1.00 0.00 N ATOM 397 CZ ARG A 29 -8.894 14.005 0.801 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.930 14.476 0.122 1.00 0.00 N ATOM 399 NH2 ARG A 29 -8.637 14.468 2.018 1.00 0.00 N ATOM 0 H ARG A 29 -5.946 9.543 -2.709 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.960 11.044 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.772 12.606 -0.923 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.851 12.037 -2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.781 10.771 -2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.483 10.621 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.132 13.274 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.366 12.210 -1.173 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.323 12.733 0.813 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.129 14.123 -0.814 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.528 15.191 0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.840 14.108 2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.237 15.183 2.429 1.00 0.00 H new ATOM 413 N PHE A 30 -5.921 9.051 0.359 1.00 0.00 N ATOM 414 CA PHE A 30 -6.198 8.480 1.671 1.00 0.00 C ATOM 415 C PHE A 30 -4.977 7.743 2.214 1.00 0.00 C ATOM 416 O PHE A 30 -4.852 7.530 3.420 1.00 0.00 O ATOM 417 CB PHE A 30 -7.391 7.525 1.593 1.00 0.00 C ATOM 418 CG PHE A 30 -8.718 8.205 1.766 1.00 0.00 C ATOM 419 CD1 PHE A 30 -8.977 8.971 2.892 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.707 8.081 0.803 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.198 9.600 3.054 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.928 8.709 0.959 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.174 9.468 2.087 1.00 0.00 C ATOM 0 H PHE A 30 -6.343 8.544 -0.419 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.438 9.297 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.376 7.016 0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.282 6.758 2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.217 9.078 3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.521 7.487 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.388 10.194 3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.689 8.607 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.129 9.957 2.212 1.00 0.00 H new ATOM 433 N VAL A 31 -4.079 7.357 1.315 1.00 0.00 N ATOM 434 CA VAL A 31 -2.867 6.646 1.702 1.00 0.00 C ATOM 435 C VAL A 31 -1.762 7.618 2.101 1.00 0.00 C ATOM 436 O VAL A 31 -0.979 7.343 3.011 1.00 0.00 O ATOM 437 CB VAL A 31 -2.355 5.747 0.560 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.072 5.040 0.971 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.422 4.739 0.157 1.00 0.00 C ATOM 0 H VAL A 31 -4.168 7.525 0.313 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.126 6.023 2.558 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.135 6.375 -0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.725 4.410 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.308 5.781 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.262 4.422 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.044 4.112 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.674 4.114 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.313 5.268 -0.181 1.00 0.00 H new ATOM 449 N ILE A 32 -1.705 8.754 1.416 1.00 0.00 N ATOM 450 CA ILE A 32 -0.698 9.769 1.701 1.00 0.00 C ATOM 451 C ILE A 32 -0.954 10.434 3.049 1.00 0.00 C ATOM 452 O ILE A 32 -0.020 10.745 3.786 1.00 0.00 O ATOM 453 CB ILE A 32 -0.663 10.850 0.605 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.384 10.216 -0.759 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.388 11.901 0.932 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.675 11.137 -1.924 1.00 0.00 C ATOM 0 H ILE A 32 -2.345 8.995 0.659 1.00 0.00 H new ATOM 0 HA ILE A 32 0.265 9.260 1.728 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.637 11.338 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.661 9.909 -0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.986 9.313 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.401 12.659 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.149 12.370 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.368 11.428 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.455 10.622 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.726 11.424 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.054 12.029 -1.846 1.00 0.00 H new ATOM 468 N GLY A 33 -2.228 10.649 3.365 1.00 0.00 N ATOM 469 CA GLY A 33 -2.584 11.274 4.625 1.00 0.00 C ATOM 470 C GLY A 33 -3.209 12.643 4.436 1.00 0.00 C ATOM 471 O GLY A 33 -3.048 13.268 3.388 1.00 0.00 O ATOM 0 H GLY A 33 -3.019 10.401 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.281 10.631 5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.693 11.367 5.246 1.00 0.00 H new ATOM 475 N LYS A 34 -3.927 13.109 5.453 1.00 0.00 N ATOM 476 CA LYS A 34 -4.579 14.411 5.396 1.00 0.00 C ATOM 477 C LYS A 34 -3.562 15.520 5.144 1.00 0.00 C ATOM 478 O LYS A 34 -3.684 16.281 4.186 1.00 0.00 O ATOM 479 CB LYS A 34 -5.334 14.685 6.699 1.00 0.00 C ATOM 480 CG LYS A 34 -4.479 14.517 7.943 1.00 0.00 C ATOM 481 CD LYS A 34 -5.335 14.371 9.190 1.00 0.00 C ATOM 482 CE LYS A 34 -4.483 14.353 10.451 1.00 0.00 C ATOM 483 NZ LYS A 34 -3.870 15.682 10.725 1.00 0.00 N ATOM 0 H LYS A 34 -4.072 12.603 6.327 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.288 14.397 4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.729 15.701 6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.189 14.012 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.842 13.639 7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.819 15.378 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.047 15.194 9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.916 13.451 9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.098 14.054 11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.697 13.605 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.470 15.689 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.115 15.865 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.597 16.422 10.648 1.00 0.00 H new ATOM 497 N ASN A 35 -2.556 15.602 6.009 1.00 0.00 N ATOM 498 CA ASN A 35 -1.518 16.616 5.880 1.00 0.00 C ATOM 499 C ASN A 35 -0.288 16.049 5.177 1.00 0.00 C ATOM 500 O ASN A 35 0.638 16.782 4.834 1.00 0.00 O ATOM 501 CB ASN A 35 -1.128 17.157 7.257 1.00 0.00 C ATOM 502 CG ASN A 35 -1.965 18.353 7.667 1.00 0.00 C ATOM 503 OD1 ASN A 35 -3.090 18.091 8.322 1.00 0.00 O flip ATOM 504 ND2 ASN A 35 -1.604 19.499 7.397 1.00 0.00 N flip ATOM 0 H ASN A 35 -2.438 14.978 6.807 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.916 17.432 5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.240 16.367 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.075 17.440 7.248 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.731 19.653 6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.178 20.294 7.679 1.00 0.00 H new ATOM 511 N GLY A 36 -0.285 14.736 4.967 1.00 0.00 N ATOM 512 CA GLY A 36 0.834 14.091 4.307 1.00 0.00 C ATOM 513 C GLY A 36 1.698 13.301 5.269 1.00 0.00 C ATOM 514 O GLY A 36 2.923 13.410 5.247 1.00 0.00 O ATOM 0 H GLY A 36 -1.039 14.107 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.459 13.425 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.444 14.846 3.812 1.00 0.00 H new ATOM 518 N GLU A 37 1.058 12.503 6.118 1.00 0.00 N ATOM 519 CA GLU A 37 1.777 11.693 7.094 1.00 0.00 C ATOM 520 C GLU A 37 1.481 10.209 6.894 1.00 0.00 C ATOM 521 O GLU A 37 2.386 9.374 6.929 1.00 0.00 O ATOM 522 CB GLU A 37 1.397 12.111 8.516 1.00 0.00 C ATOM 523 CG GLU A 37 1.251 13.614 8.689 1.00 0.00 C ATOM 524 CD GLU A 37 2.560 14.289 9.056 1.00 0.00 C ATOM 525 OE1 GLU A 37 3.386 14.515 8.147 1.00 0.00 O ATOM 526 OE2 GLU A 37 2.757 14.591 10.251 1.00 0.00 O ATOM 0 H GLU A 37 0.044 12.400 6.150 1.00 0.00 H new ATOM 0 HA GLU A 37 2.845 11.857 6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.458 11.629 8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.156 11.746 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.870 14.047 7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.512 13.817 9.464 1.00 0.00 H new ATOM 533 N LYS A 38 0.209 9.888 6.684 1.00 0.00 N ATOM 534 CA LYS A 38 -0.207 8.506 6.477 1.00 0.00 C ATOM 535 C LYS A 38 0.845 7.733 5.689 1.00 0.00 C ATOM 536 O LYS A 38 1.042 6.536 5.904 1.00 0.00 O ATOM 537 CB LYS A 38 -1.547 8.461 5.739 1.00 0.00 C ATOM 538 CG LYS A 38 -2.140 7.066 5.638 1.00 0.00 C ATOM 539 CD LYS A 38 -2.669 6.588 6.980 1.00 0.00 C ATOM 540 CE LYS A 38 -2.944 5.091 6.968 1.00 0.00 C ATOM 541 NZ LYS A 38 -1.730 4.302 7.316 1.00 0.00 N ATOM 0 H LYS A 38 -0.552 10.566 6.653 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.321 8.037 7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.256 9.112 6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.413 8.863 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.948 7.065 4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.381 6.372 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.945 6.820 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.585 7.126 7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.741 4.862 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.299 4.795 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.813 3.344 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.888 4.768 6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.639 4.242 8.350 1.00 0.00 H new ATOM 555 N LEU A 39 1.520 8.422 4.776 1.00 0.00 N ATOM 556 CA LEU A 39 2.554 7.801 3.958 1.00 0.00 C ATOM 557 C LEU A 39 3.897 7.804 4.681 1.00 0.00 C ATOM 558 O LEU A 39 4.640 6.823 4.634 1.00 0.00 O ATOM 559 CB LEU A 39 2.682 8.532 2.620 1.00 0.00 C ATOM 560 CG LEU A 39 4.019 8.377 1.895 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.154 6.974 1.322 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.154 9.419 0.795 1.00 0.00 C ATOM 0 H LEU A 39 1.369 9.412 4.584 1.00 0.00 H new ATOM 0 HA LEU A 39 2.263 6.767 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.890 8.179 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.505 9.594 2.791 1.00 0.00 H new ATOM 0 HG LEU A 39 4.822 8.533 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.111 6.881 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.103 6.244 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.345 6.790 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.112 9.293 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.345 9.295 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.102 10.417 1.231 1.00 0.00 H new ATOM 574 N GLN A 40 4.200 8.910 5.352 1.00 0.00 N ATOM 575 CA GLN A 40 5.453 9.038 6.087 1.00 0.00 C ATOM 576 C GLN A 40 5.527 8.017 7.218 1.00 0.00 C ATOM 577 O GLN A 40 6.605 7.530 7.557 1.00 0.00 O ATOM 578 CB GLN A 40 5.595 10.454 6.651 1.00 0.00 C ATOM 579 CG GLN A 40 5.025 10.611 8.051 1.00 0.00 C ATOM 580 CD GLN A 40 5.298 11.980 8.641 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.236 12.993 7.944 1.00 0.00 O ATOM 582 NE2 GLN A 40 5.599 12.020 9.934 1.00 0.00 N ATOM 0 H GLN A 40 3.596 9.730 5.402 1.00 0.00 H new ATOM 0 HA GLN A 40 6.273 8.846 5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.650 10.727 6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.094 11.154 5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.949 10.440 8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.452 9.847 8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.640 11.156 10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.789 12.914 10.386 1.00 0.00 H new ATOM 591 N ASP A 41 4.375 7.700 7.799 1.00 0.00 N ATOM 592 CA ASP A 41 4.309 6.737 8.891 1.00 0.00 C ATOM 593 C ASP A 41 4.354 5.308 8.360 1.00 0.00 C ATOM 594 O ASP A 41 4.878 4.406 9.015 1.00 0.00 O ATOM 595 CB ASP A 41 3.036 6.950 9.711 1.00 0.00 C ATOM 596 CG ASP A 41 3.200 6.522 11.157 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.666 7.346 11.971 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.859 5.363 11.473 1.00 0.00 O ATOM 0 H ASP A 41 3.474 8.096 7.531 1.00 0.00 H new ATOM 0 HA ASP A 41 5.176 6.894 9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.757 8.003 9.676 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.218 6.388 9.259 1.00 0.00 H new ATOM 603 N LEU A 42 3.800 5.108 7.169 1.00 0.00 N ATOM 604 CA LEU A 42 3.774 3.788 6.549 1.00 0.00 C ATOM 605 C LEU A 42 5.170 3.374 6.091 1.00 0.00 C ATOM 606 O LEU A 42 5.677 2.326 6.487 1.00 0.00 O ATOM 607 CB LEU A 42 2.812 3.780 5.360 1.00 0.00 C ATOM 608 CG LEU A 42 1.361 3.410 5.673 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.444 3.847 4.542 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.233 1.915 5.920 1.00 0.00 C ATOM 0 H LEU A 42 3.363 5.843 6.613 1.00 0.00 H new ATOM 0 HA LEU A 42 3.428 3.071 7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.823 4.769 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.192 3.080 4.616 1.00 0.00 H new ATOM 0 HG LEU A 42 1.060 3.934 6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.584 3.576 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.514 4.927 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.744 3.352 3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.194 1.670 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.553 1.371 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.860 1.631 6.765 1.00 0.00 H new ATOM 622 N GLU A 43 5.785 4.207 5.257 1.00 0.00 N ATOM 623 CA GLU A 43 7.122 3.928 4.748 1.00 0.00 C ATOM 624 C GLU A 43 8.071 3.557 5.884 1.00 0.00 C ATOM 625 O GLU A 43 9.036 2.819 5.686 1.00 0.00 O ATOM 626 CB GLU A 43 7.666 5.140 3.990 1.00 0.00 C ATOM 627 CG GLU A 43 7.088 5.295 2.593 1.00 0.00 C ATOM 628 CD GLU A 43 7.554 6.563 1.906 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.303 7.660 2.448 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.171 6.458 0.824 1.00 0.00 O ATOM 0 H GLU A 43 5.379 5.080 4.920 1.00 0.00 H new ATOM 0 HA GLU A 43 7.053 3.082 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.454 6.042 4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.750 5.056 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.372 4.433 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.000 5.298 2.652 1.00 0.00 H new ATOM 637 N LEU A 44 7.789 4.075 7.075 1.00 0.00 N ATOM 638 CA LEU A 44 8.616 3.800 8.244 1.00 0.00 C ATOM 639 C LEU A 44 8.175 2.512 8.933 1.00 0.00 C ATOM 640 O LEU A 44 8.919 1.532 8.979 1.00 0.00 O ATOM 641 CB LEU A 44 8.547 4.968 9.229 1.00 0.00 C ATOM 642 CG LEU A 44 9.450 6.162 8.919 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.215 7.283 9.918 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.913 5.740 8.923 1.00 0.00 C ATOM 0 H LEU A 44 6.994 4.688 7.256 1.00 0.00 H new ATOM 0 HA LEU A 44 9.646 3.676 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.516 5.319 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.799 4.595 10.222 1.00 0.00 H new ATOM 0 HG LEU A 44 9.201 6.532 7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.867 8.124 9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.175 7.604 9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.435 6.926 10.924 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.541 6.603 8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.175 5.344 9.904 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.072 4.971 8.167 1.00 0.00 H new ATOM 656 N LYS A 45 6.957 2.520 9.466 1.00 0.00 N ATOM 657 CA LYS A 45 6.413 1.353 10.149 1.00 0.00 C ATOM 658 C LYS A 45 6.668 0.083 9.343 1.00 0.00 C ATOM 659 O LYS A 45 7.040 -0.952 9.897 1.00 0.00 O ATOM 660 CB LYS A 45 4.912 1.528 10.385 1.00 0.00 C ATOM 661 CG LYS A 45 4.240 0.299 10.973 1.00 0.00 C ATOM 662 CD LYS A 45 3.760 -0.648 9.886 1.00 0.00 C ATOM 663 CE LYS A 45 2.359 -0.289 9.414 1.00 0.00 C ATOM 664 NZ LYS A 45 2.299 1.089 8.854 1.00 0.00 N ATOM 0 H LYS A 45 6.328 3.323 9.438 1.00 0.00 H new ATOM 0 HA LYS A 45 6.917 1.259 11.111 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.754 2.373 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.431 1.777 9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.940 -0.221 11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.395 0.605 11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.449 -0.615 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.767 -1.671 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.037 -1.003 8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.662 -0.373 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.386 1.230 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.398 1.781 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.071 1.219 8.169 1.00 0.00 H new ATOM 678 N THR A 46 6.465 0.169 8.033 1.00 0.00 N ATOM 679 CA THR A 46 6.673 -0.973 7.151 1.00 0.00 C ATOM 680 C THR A 46 8.106 -1.013 6.630 1.00 0.00 C ATOM 681 O THR A 46 8.596 -2.062 6.216 1.00 0.00 O ATOM 682 CB THR A 46 5.704 -0.941 5.953 1.00 0.00 C ATOM 683 OG1 THR A 46 6.104 0.076 5.027 1.00 0.00 O ATOM 684 CG2 THR A 46 4.279 -0.681 6.416 1.00 0.00 C ATOM 0 H THR A 46 6.157 1.018 7.559 1.00 0.00 H new ATOM 0 HA THR A 46 6.480 -1.868 7.742 1.00 0.00 H new ATOM 0 HB THR A 46 5.737 -1.913 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.055 0.953 5.462 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.614 -0.663 5.553 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.968 -1.473 7.098 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.233 0.279 6.930 1.00 0.00 H new ATOM 692 N ALA A 47 8.772 0.137 6.657 1.00 0.00 N ATOM 693 CA ALA A 47 10.149 0.232 6.190 1.00 0.00 C ATOM 694 C ALA A 47 10.250 -0.094 4.705 1.00 0.00 C ATOM 695 O ALA A 47 11.190 -0.757 4.266 1.00 0.00 O ATOM 696 CB ALA A 47 11.045 -0.696 6.998 1.00 0.00 C ATOM 0 H ALA A 47 8.380 1.015 6.997 1.00 0.00 H new ATOM 0 HA ALA A 47 10.484 1.259 6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.071 -0.615 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.006 -0.414 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.701 -1.724 6.884 1.00 0.00 H new ATOM 702 N THR A 48 9.274 0.374 3.933 1.00 0.00 N ATOM 703 CA THR A 48 9.251 0.131 2.496 1.00 0.00 C ATOM 704 C THR A 48 9.344 1.437 1.716 1.00 0.00 C ATOM 705 O THR A 48 9.374 2.521 2.299 1.00 0.00 O ATOM 706 CB THR A 48 7.973 -0.617 2.073 1.00 0.00 C ATOM 707 OG1 THR A 48 6.816 0.147 2.435 1.00 0.00 O ATOM 708 CG2 THR A 48 7.906 -1.988 2.728 1.00 0.00 C ATOM 0 H THR A 48 8.488 0.924 4.280 1.00 0.00 H new ATOM 0 HA THR A 48 10.118 -0.488 2.266 1.00 0.00 H new ATOM 0 HB THR A 48 7.997 -0.750 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.552 -0.073 3.353 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.995 -2.497 2.414 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.773 -2.577 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.903 -1.874 3.812 1.00 0.00 H new ATOM 716 N LYS A 49 9.389 1.328 0.392 1.00 0.00 N ATOM 717 CA LYS A 49 9.476 2.500 -0.470 1.00 0.00 C ATOM 718 C LYS A 49 8.221 2.639 -1.327 1.00 0.00 C ATOM 719 O LYS A 49 8.171 2.146 -2.454 1.00 0.00 O ATOM 720 CB LYS A 49 10.712 2.408 -1.368 1.00 0.00 C ATOM 721 CG LYS A 49 10.839 3.561 -2.348 1.00 0.00 C ATOM 722 CD LYS A 49 11.401 4.803 -1.679 1.00 0.00 C ATOM 723 CE LYS A 49 12.907 4.703 -1.491 1.00 0.00 C ATOM 724 NZ LYS A 49 13.458 5.891 -0.781 1.00 0.00 N ATOM 0 H LYS A 49 9.367 0.439 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 49 9.561 3.382 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.604 2.374 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.678 1.471 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.486 3.267 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.861 3.787 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.166 5.680 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.921 4.944 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.143 3.801 -0.927 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.389 4.606 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.487 5.784 -0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.255 6.750 -1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.017 5.970 0.158 1.00 0.00 H new ATOM 738 N ILE A 50 7.214 3.316 -0.787 1.00 0.00 N ATOM 739 CA ILE A 50 5.961 3.522 -1.504 1.00 0.00 C ATOM 740 C ILE A 50 6.092 4.644 -2.528 1.00 0.00 C ATOM 741 O ILE A 50 6.510 5.753 -2.196 1.00 0.00 O ATOM 742 CB ILE A 50 4.808 3.854 -0.540 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.661 2.753 0.513 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.509 4.035 -1.309 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.957 3.210 1.771 1.00 0.00 C ATOM 0 H ILE A 50 7.241 3.731 0.144 1.00 0.00 H new ATOM 0 HA ILE A 50 5.735 2.588 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 50 5.039 4.790 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.109 1.919 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.650 2.378 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.704 4.269 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.620 4.851 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.271 3.115 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.888 2.378 2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.520 4.024 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.955 3.557 1.521 1.00 0.00 H new ATOM 757 N GLN A 51 5.731 4.349 -3.772 1.00 0.00 N ATOM 758 CA GLN A 51 5.808 5.334 -4.844 1.00 0.00 C ATOM 759 C GLN A 51 4.442 5.541 -5.491 1.00 0.00 C ATOM 760 O GLN A 51 3.907 4.640 -6.136 1.00 0.00 O ATOM 761 CB GLN A 51 6.824 4.893 -5.899 1.00 0.00 C ATOM 762 CG GLN A 51 7.443 6.049 -6.668 1.00 0.00 C ATOM 763 CD GLN A 51 7.871 5.656 -8.069 1.00 0.00 C ATOM 764 OE1 GLN A 51 7.162 5.915 -9.042 1.00 0.00 O ATOM 765 NE2 GLN A 51 9.035 5.028 -8.178 1.00 0.00 N ATOM 0 H GLN A 51 5.382 3.436 -4.063 1.00 0.00 H new ATOM 0 HA GLN A 51 6.133 6.280 -4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.617 4.325 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.335 4.219 -6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.725 6.867 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.307 6.424 -6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.590 4.834 -7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.375 4.739 -9.095 1.00 0.00 H new ATOM 774 N ILE A 52 3.884 6.735 -5.314 1.00 0.00 N ATOM 775 CA ILE A 52 2.582 7.060 -5.882 1.00 0.00 C ATOM 776 C ILE A 52 2.729 7.819 -7.196 1.00 0.00 C ATOM 777 O ILE A 52 3.568 8.709 -7.337 1.00 0.00 O ATOM 778 CB ILE A 52 1.739 7.903 -4.906 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.557 7.160 -3.582 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.387 8.233 -5.524 1.00 0.00 C ATOM 781 CD1 ILE A 52 1.097 8.050 -2.448 1.00 0.00 C ATOM 0 H ILE A 52 4.313 7.492 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 52 2.073 6.114 -6.068 1.00 0.00 H new ATOM 0 HB ILE A 52 2.265 8.837 -4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.832 6.358 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.501 6.691 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.198 8.829 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.536 8.798 -6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.146 7.309 -5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.989 7.456 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.833 8.837 -2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.137 8.499 -2.704 1.00 0.00 H new ATOM 793 N PRO A 53 1.893 7.461 -8.181 1.00 0.00 N ATOM 794 CA PRO A 53 1.908 8.098 -9.502 1.00 0.00 C ATOM 795 C PRO A 53 1.399 9.535 -9.459 1.00 0.00 C ATOM 796 O PRO A 53 0.597 9.893 -8.597 1.00 0.00 O ATOM 797 CB PRO A 53 0.965 7.221 -10.330 1.00 0.00 C ATOM 798 CG PRO A 53 0.050 6.601 -9.330 1.00 0.00 C ATOM 799 CD PRO A 53 0.868 6.409 -8.083 1.00 0.00 C ATOM 0 HA PRO A 53 2.917 8.166 -9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.412 7.813 -11.059 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.516 6.463 -10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.810 7.242 -9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.337 5.649 -9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.262 6.521 -7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.315 5.415 -8.045 1.00 0.00 H new ATOM 807 N ARG A 54 1.871 10.353 -10.394 1.00 0.00 N ATOM 808 CA ARG A 54 1.465 11.751 -10.462 1.00 0.00 C ATOM 809 C ARG A 54 -0.029 11.870 -10.748 1.00 0.00 C ATOM 810 O ARG A 54 -0.652 10.969 -11.312 1.00 0.00 O ATOM 811 CB ARG A 54 2.261 12.483 -11.543 1.00 0.00 C ATOM 812 CG ARG A 54 3.706 12.757 -11.157 1.00 0.00 C ATOM 813 CD ARG A 54 4.602 11.573 -11.479 1.00 0.00 C ATOM 814 NE ARG A 54 6.012 11.875 -11.250 1.00 0.00 N ATOM 815 CZ ARG A 54 7.009 11.228 -11.844 1.00 0.00 C ATOM 816 NH1 ARG A 54 6.752 10.247 -12.698 1.00 0.00 N ATOM 817 NH2 ARG A 54 8.266 11.562 -11.583 1.00 0.00 N ATOM 0 H ARG A 54 2.535 10.071 -11.115 1.00 0.00 H new ATOM 0 HA ARG A 54 1.670 12.210 -9.495 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.245 11.891 -12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.768 13.429 -11.767 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.064 13.640 -11.686 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.763 12.979 -10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.310 10.720 -10.866 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.458 11.282 -12.520 1.00 0.00 H new ATOM 0 HE ARG A 54 6.245 12.624 -10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.787 9.987 -12.901 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.520 9.752 -13.152 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.468 12.316 -10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.031 11.065 -12.039 1.00 0.00 H new ATOM 831 N PRO A 55 -0.621 13.005 -10.348 1.00 0.00 N ATOM 832 CA PRO A 55 -2.048 13.269 -10.551 1.00 0.00 C ATOM 833 C PRO A 55 -2.395 13.489 -12.019 1.00 0.00 C ATOM 834 O PRO A 55 -3.567 13.596 -12.381 1.00 0.00 O ATOM 835 CB PRO A 55 -2.290 14.549 -9.747 1.00 0.00 C ATOM 836 CG PRO A 55 -0.962 15.223 -9.699 1.00 0.00 C ATOM 837 CD PRO A 55 0.060 14.121 -9.671 1.00 0.00 C ATOM 0 HA PRO A 55 -2.666 12.428 -10.237 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.038 15.181 -10.225 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.656 14.324 -8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.819 15.866 -10.567 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.877 15.856 -8.816 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.974 14.408 -10.190 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.341 13.860 -8.651 1.00 0.00 H new ATOM 845 N ASP A 56 -1.369 13.554 -12.861 1.00 0.00 N ATOM 846 CA ASP A 56 -1.566 13.760 -14.291 1.00 0.00 C ATOM 847 C ASP A 56 -1.254 12.486 -15.071 1.00 0.00 C ATOM 848 O ASP A 56 -1.569 12.380 -16.258 1.00 0.00 O ATOM 849 CB ASP A 56 -0.684 14.906 -14.789 1.00 0.00 C ATOM 850 CG ASP A 56 -0.377 14.798 -16.270 1.00 0.00 C ATOM 851 OD1 ASP A 56 -1.279 15.080 -17.085 1.00 0.00 O ATOM 852 OD2 ASP A 56 0.767 14.432 -16.614 1.00 0.00 O ATOM 0 H ASP A 56 -0.393 13.467 -12.578 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.612 14.019 -14.455 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.182 15.856 -14.592 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.250 14.913 -14.227 1.00 0.00 H new ATOM 857 N ASP A 57 -0.635 11.522 -14.398 1.00 0.00 N ATOM 858 CA ASP A 57 -0.281 10.256 -15.028 1.00 0.00 C ATOM 859 C ASP A 57 -1.446 9.273 -14.964 1.00 0.00 C ATOM 860 O ASP A 57 -2.159 9.182 -13.965 1.00 0.00 O ATOM 861 CB ASP A 57 0.950 9.652 -14.351 1.00 0.00 C ATOM 862 CG ASP A 57 1.748 8.766 -15.286 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.483 9.310 -16.136 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.638 7.527 -15.167 1.00 0.00 O ATOM 0 H ASP A 57 -0.368 11.594 -13.416 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.051 10.451 -16.075 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.589 10.455 -13.982 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.636 9.071 -13.484 1.00 0.00 H new ATOM 869 N PRO A 58 -1.646 8.520 -16.055 1.00 0.00 N ATOM 870 CA PRO A 58 -2.725 7.531 -16.149 1.00 0.00 C ATOM 871 C PRO A 58 -2.486 6.328 -15.243 1.00 0.00 C ATOM 872 O PRO A 58 -3.268 5.377 -15.240 1.00 0.00 O ATOM 873 CB PRO A 58 -2.691 7.107 -17.619 1.00 0.00 C ATOM 874 CG PRO A 58 -1.292 7.371 -18.058 1.00 0.00 C ATOM 875 CD PRO A 58 -0.835 8.576 -17.283 1.00 0.00 C ATOM 0 HA PRO A 58 -3.684 7.942 -15.832 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.950 6.054 -17.733 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.406 7.677 -18.212 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.651 6.512 -17.857 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.248 7.558 -19.131 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.232 8.531 -17.063 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.007 9.499 -17.837 1.00 0.00 H new ATOM 883 N SER A 59 -1.403 6.377 -14.474 1.00 0.00 N ATOM 884 CA SER A 59 -1.061 5.289 -13.565 1.00 0.00 C ATOM 885 C SER A 59 -1.657 5.529 -12.181 1.00 0.00 C ATOM 886 O SER A 59 -1.346 6.522 -11.524 1.00 0.00 O ATOM 887 CB SER A 59 0.458 5.141 -13.461 1.00 0.00 C ATOM 888 OG SER A 59 0.979 4.433 -14.572 1.00 0.00 O ATOM 0 H SER A 59 -0.747 7.158 -14.462 1.00 0.00 H new ATOM 0 HA SER A 59 -1.481 4.367 -13.967 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.920 6.127 -13.405 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.713 4.617 -12.540 1.00 0.00 H new ATOM 0 HG SER A 59 1.952 4.353 -14.482 1.00 0.00 H new ATOM 894 N ASN A 60 -2.514 4.612 -11.744 1.00 0.00 N ATOM 895 CA ASN A 60 -3.153 4.725 -10.439 1.00 0.00 C ATOM 896 C ASN A 60 -2.822 3.518 -9.565 1.00 0.00 C ATOM 897 O ASN A 60 -3.597 3.146 -8.684 1.00 0.00 O ATOM 898 CB ASN A 60 -4.669 4.850 -10.600 1.00 0.00 C ATOM 899 CG ASN A 60 -5.245 3.783 -11.512 1.00 0.00 C ATOM 900 OD1 ASN A 60 -5.025 3.801 -12.723 1.00 0.00 O ATOM 901 ND2 ASN A 60 -5.987 2.847 -10.931 1.00 0.00 N ATOM 0 H ASN A 60 -2.782 3.783 -12.275 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.770 5.621 -9.951 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.142 4.781 -9.621 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.909 5.835 -11.001 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.401 2.103 -11.493 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.143 2.872 -9.923 1.00 0.00 H new ATOM 908 N GLN A 61 -1.666 2.912 -9.817 1.00 0.00 N ATOM 909 CA GLN A 61 -1.232 1.748 -9.053 1.00 0.00 C ATOM 910 C GLN A 61 -0.005 2.076 -8.210 1.00 0.00 C ATOM 911 O GLN A 61 1.043 2.448 -8.740 1.00 0.00 O ATOM 912 CB GLN A 61 -0.923 0.582 -9.994 1.00 0.00 C ATOM 913 CG GLN A 61 0.113 0.914 -11.055 1.00 0.00 C ATOM 914 CD GLN A 61 0.132 -0.093 -12.188 1.00 0.00 C ATOM 915 OE1 GLN A 61 0.014 0.270 -13.358 1.00 0.00 O ATOM 916 NE2 GLN A 61 0.281 -1.368 -11.846 1.00 0.00 N ATOM 0 H GLN A 61 -1.014 3.207 -10.543 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.043 1.461 -8.383 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.570 -0.265 -9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.845 0.267 -10.484 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.091 1.906 -11.459 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.100 0.955 -10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.375 -1.625 -10.863 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.301 -2.090 -12.566 1.00 0.00 H new ATOM 925 N ILE A 62 -0.141 1.937 -6.896 1.00 0.00 N ATOM 926 CA ILE A 62 0.957 2.218 -5.980 1.00 0.00 C ATOM 927 C ILE A 62 2.010 1.116 -6.028 1.00 0.00 C ATOM 928 O ILE A 62 1.691 -0.052 -6.251 1.00 0.00 O ATOM 929 CB ILE A 62 0.457 2.371 -4.532 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.239 3.722 -4.348 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.614 2.229 -3.554 1.00 0.00 C ATOM 932 CD1 ILE A 62 -1.026 3.827 -3.061 1.00 0.00 C ATOM 0 H ILE A 62 -1.001 1.631 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 62 1.404 3.158 -6.303 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.265 1.581 -4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.510 4.513 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.910 3.893 -5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.244 2.340 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.070 1.246 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.358 3.000 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.492 4.811 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.798 3.058 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.356 3.688 -2.212 1.00 0.00 H new ATOM 944 N LYS A 63 3.266 1.495 -5.818 1.00 0.00 N ATOM 945 CA LYS A 63 4.367 0.539 -5.836 1.00 0.00 C ATOM 946 C LYS A 63 4.997 0.413 -4.453 1.00 0.00 C ATOM 947 O LYS A 63 5.362 1.412 -3.832 1.00 0.00 O ATOM 948 CB LYS A 63 5.426 0.969 -6.853 1.00 0.00 C ATOM 949 CG LYS A 63 6.456 -0.108 -7.149 1.00 0.00 C ATOM 950 CD LYS A 63 7.648 -0.012 -6.213 1.00 0.00 C ATOM 951 CE LYS A 63 8.737 0.882 -6.786 1.00 0.00 C ATOM 952 NZ LYS A 63 8.572 2.299 -6.360 1.00 0.00 N ATOM 0 H LYS A 63 3.547 2.458 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 63 3.968 -0.433 -6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.932 1.253 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.937 1.856 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.994 -1.091 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.794 -0.015 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.324 0.380 -5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.051 -1.008 -6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.713 0.517 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.718 0.825 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.499 2.771 -6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.936 2.789 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.166 2.329 -5.403 1.00 0.00 H new ATOM 966 N ILE A 64 5.125 -0.821 -3.975 1.00 0.00 N ATOM 967 CA ILE A 64 5.714 -1.077 -2.668 1.00 0.00 C ATOM 968 C ILE A 64 6.967 -1.939 -2.789 1.00 0.00 C ATOM 969 O ILE A 64 6.901 -3.097 -3.199 1.00 0.00 O ATOM 970 CB ILE A 64 4.715 -1.775 -1.726 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.696 -2.580 -2.535 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.012 -0.751 -0.848 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.762 -3.408 -1.680 1.00 0.00 C ATOM 0 H ILE A 64 4.828 -1.659 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 64 5.981 -0.107 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 64 5.264 -2.462 -1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.106 -1.895 -3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.228 -3.239 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.309 -1.259 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.750 -0.217 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.472 -0.042 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.068 -3.951 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.342 -4.117 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.203 -2.753 -1.013 1.00 0.00 H new ATOM 985 N THR A 65 8.110 -1.365 -2.426 1.00 0.00 N ATOM 986 CA THR A 65 9.379 -2.079 -2.492 1.00 0.00 C ATOM 987 C THR A 65 9.959 -2.301 -1.100 1.00 0.00 C ATOM 988 O THR A 65 9.860 -1.436 -0.232 1.00 0.00 O ATOM 989 CB THR A 65 10.408 -1.317 -3.350 1.00 0.00 C ATOM 990 OG1 THR A 65 9.786 -0.831 -4.544 1.00 0.00 O ATOM 991 CG2 THR A 65 11.581 -2.216 -3.712 1.00 0.00 C ATOM 0 H THR A 65 8.183 -0.407 -2.083 1.00 0.00 H new ATOM 0 HA THR A 65 9.175 -3.045 -2.955 1.00 0.00 H new ATOM 0 HB THR A 65 10.782 -0.475 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.276 -1.162 -5.326 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.294 -1.657 -4.318 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.070 -2.561 -2.801 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.220 -3.075 -4.277 1.00 0.00 H new ATOM 999 N GLY A 66 10.564 -3.467 -0.895 1.00 0.00 N ATOM 1000 CA GLY A 66 11.152 -3.781 0.393 1.00 0.00 C ATOM 1001 C GLY A 66 11.216 -5.273 0.654 1.00 0.00 C ATOM 1002 O GLY A 66 11.256 -6.073 -0.281 1.00 0.00 O ATOM 0 H GLY A 66 10.657 -4.200 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.158 -3.364 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.570 -3.302 1.181 1.00 0.00 H new ATOM 1006 N THR A 67 11.226 -5.650 1.929 1.00 0.00 N ATOM 1007 CA THR A 67 11.288 -7.056 2.309 1.00 0.00 C ATOM 1008 C THR A 67 9.917 -7.714 2.208 1.00 0.00 C ATOM 1009 O THR A 67 8.893 -7.085 2.477 1.00 0.00 O ATOM 1010 CB THR A 67 11.822 -7.226 3.745 1.00 0.00 C ATOM 1011 OG1 THR A 67 11.015 -6.475 4.659 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.269 -6.766 3.841 1.00 0.00 C ATOM 0 H THR A 67 11.192 -5.001 2.716 1.00 0.00 H new ATOM 0 HA THR A 67 11.973 -7.542 1.614 1.00 0.00 H new ATOM 0 HB THR A 67 11.776 -8.284 4.005 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.359 -6.589 5.569 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.625 -6.895 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.885 -7.359 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.335 -5.714 3.564 1.00 0.00 H new ATOM 1020 N LYS A 68 9.903 -8.984 1.821 1.00 0.00 N ATOM 1021 CA LYS A 68 8.657 -9.730 1.685 1.00 0.00 C ATOM 1022 C LYS A 68 7.700 -9.402 2.827 1.00 0.00 C ATOM 1023 O LYS A 68 6.488 -9.323 2.630 1.00 0.00 O ATOM 1024 CB LYS A 68 8.940 -11.234 1.658 1.00 0.00 C ATOM 1025 CG LYS A 68 7.684 -12.087 1.600 1.00 0.00 C ATOM 1026 CD LYS A 68 7.051 -12.057 0.219 1.00 0.00 C ATOM 1027 CE LYS A 68 5.614 -12.555 0.254 1.00 0.00 C ATOM 1028 NZ LYS A 68 5.029 -12.657 -1.112 1.00 0.00 N ATOM 0 H LYS A 68 10.741 -9.520 1.596 1.00 0.00 H new ATOM 0 HA LYS A 68 8.188 -9.438 0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.565 -11.462 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.512 -11.504 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.929 -13.115 1.866 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.966 -11.729 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.075 -11.040 -0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.635 -12.675 -0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.580 -13.531 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.010 -11.878 0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.049 -13.000 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.038 -11.721 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.590 -13.322 -1.681 1.00 0.00 H new ATOM 1042 N GLU A 69 8.254 -9.212 4.021 1.00 0.00 N ATOM 1043 CA GLU A 69 7.449 -8.892 5.193 1.00 0.00 C ATOM 1044 C GLU A 69 7.015 -7.430 5.173 1.00 0.00 C ATOM 1045 O GLU A 69 5.853 -7.111 5.427 1.00 0.00 O ATOM 1046 CB GLU A 69 8.233 -9.185 6.474 1.00 0.00 C ATOM 1047 CG GLU A 69 8.599 -10.650 6.642 1.00 0.00 C ATOM 1048 CD GLU A 69 7.433 -11.492 7.122 1.00 0.00 C ATOM 1049 OE1 GLU A 69 6.445 -11.621 6.369 1.00 0.00 O ATOM 1050 OE2 GLU A 69 7.507 -12.020 8.251 1.00 0.00 O ATOM 0 H GLU A 69 9.256 -9.274 4.201 1.00 0.00 H new ATOM 0 HA GLU A 69 6.557 -9.518 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.145 -8.589 6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.642 -8.866 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.958 -11.042 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.421 -10.736 7.353 1.00 0.00 H new ATOM 1057 N GLY A 70 7.958 -6.542 4.870 1.00 0.00 N ATOM 1058 CA GLY A 70 7.654 -5.124 4.822 1.00 0.00 C ATOM 1059 C GLY A 70 6.578 -4.794 3.807 1.00 0.00 C ATOM 1060 O GLY A 70 5.528 -4.255 4.158 1.00 0.00 O ATOM 0 H GLY A 70 8.927 -6.780 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.332 -4.791 5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.560 -4.570 4.579 1.00 0.00 H new ATOM 1064 N ILE A 71 6.839 -5.119 2.545 1.00 0.00 N ATOM 1065 CA ILE A 71 5.884 -4.854 1.475 1.00 0.00 C ATOM 1066 C ILE A 71 4.498 -5.382 1.832 1.00 0.00 C ATOM 1067 O ILE A 71 3.488 -4.732 1.565 1.00 0.00 O ATOM 1068 CB ILE A 71 6.337 -5.487 0.147 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.722 -4.969 -0.244 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.326 -5.193 -0.951 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.293 -5.640 -1.473 1.00 0.00 C ATOM 0 H ILE A 71 7.703 -5.566 2.238 1.00 0.00 H new ATOM 0 HA ILE A 71 5.837 -3.772 1.354 1.00 0.00 H new ATOM 0 HB ILE A 71 6.398 -6.567 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.663 -3.895 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.406 -5.117 0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.660 -5.647 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.356 -5.606 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.236 -4.115 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.276 -5.223 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.385 -6.711 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.630 -5.470 -2.321 1.00 0.00 H new ATOM 1083 N GLU A 72 4.461 -6.565 2.439 1.00 0.00 N ATOM 1084 CA GLU A 72 3.198 -7.179 2.833 1.00 0.00 C ATOM 1085 C GLU A 72 2.420 -6.267 3.777 1.00 0.00 C ATOM 1086 O GLU A 72 1.240 -5.991 3.561 1.00 0.00 O ATOM 1087 CB GLU A 72 3.451 -8.530 3.505 1.00 0.00 C ATOM 1088 CG GLU A 72 3.718 -9.658 2.522 1.00 0.00 C ATOM 1089 CD GLU A 72 2.467 -10.098 1.787 1.00 0.00 C ATOM 1090 OE1 GLU A 72 1.961 -9.315 0.956 1.00 0.00 O ATOM 1091 OE2 GLU A 72 1.994 -11.225 2.043 1.00 0.00 O ATOM 0 H GLU A 72 5.289 -7.116 2.668 1.00 0.00 H new ATOM 0 HA GLU A 72 2.603 -7.334 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.303 -8.437 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.587 -8.789 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.466 -9.335 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.139 -10.509 3.057 1.00 0.00 H new ATOM 1098 N LYS A 73 3.089 -5.803 4.827 1.00 0.00 N ATOM 1099 CA LYS A 73 2.464 -4.922 5.806 1.00 0.00 C ATOM 1100 C LYS A 73 1.791 -3.737 5.120 1.00 0.00 C ATOM 1101 O LYS A 73 0.623 -3.445 5.369 1.00 0.00 O ATOM 1102 CB LYS A 73 3.504 -4.420 6.810 1.00 0.00 C ATOM 1103 CG LYS A 73 3.886 -5.452 7.857 1.00 0.00 C ATOM 1104 CD LYS A 73 5.150 -5.052 8.600 1.00 0.00 C ATOM 1105 CE LYS A 73 5.496 -6.052 9.692 1.00 0.00 C ATOM 1106 NZ LYS A 73 6.695 -5.633 10.469 1.00 0.00 N ATOM 0 H LYS A 73 4.066 -6.023 5.022 1.00 0.00 H new ATOM 0 HA LYS A 73 1.702 -5.493 6.337 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.400 -4.114 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.115 -3.533 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.068 -5.571 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.035 -6.420 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.979 -4.979 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.017 -4.063 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.647 -6.162 10.366 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.676 -7.030 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.898 -6.341 11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.512 -5.553 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.514 -4.712 10.917 1.00 0.00 H new ATOM 1120 N ALA A 74 2.538 -3.059 4.254 1.00 0.00 N ATOM 1121 CA ALA A 74 2.013 -1.908 3.530 1.00 0.00 C ATOM 1122 C ALA A 74 0.916 -2.327 2.556 1.00 0.00 C ATOM 1123 O ALA A 74 -0.063 -1.606 2.362 1.00 0.00 O ATOM 1124 CB ALA A 74 3.134 -1.194 2.790 1.00 0.00 C ATOM 0 H ALA A 74 3.508 -3.287 4.037 1.00 0.00 H new ATOM 0 HA ALA A 74 1.577 -1.221 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.728 -0.337 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.883 -0.853 3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.596 -1.880 2.080 1.00 0.00 H new ATOM 1130 N ARG A 75 1.088 -3.494 1.945 1.00 0.00 N ATOM 1131 CA ARG A 75 0.113 -4.008 0.989 1.00 0.00 C ATOM 1132 C ARG A 75 -1.215 -4.309 1.677 1.00 0.00 C ATOM 1133 O ARG A 75 -2.281 -4.179 1.074 1.00 0.00 O ATOM 1134 CB ARG A 75 0.648 -5.271 0.313 1.00 0.00 C ATOM 1135 CG ARG A 75 0.133 -5.466 -1.105 1.00 0.00 C ATOM 1136 CD ARG A 75 0.903 -6.559 -1.831 1.00 0.00 C ATOM 1137 NE ARG A 75 0.620 -6.568 -3.263 1.00 0.00 N ATOM 1138 CZ ARG A 75 0.905 -7.589 -4.063 1.00 0.00 C ATOM 1139 NH1 ARG A 75 1.477 -8.680 -3.571 1.00 0.00 N ATOM 1140 NH2 ARG A 75 0.617 -7.522 -5.356 1.00 0.00 N ATOM 0 H ARG A 75 1.893 -4.102 2.094 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.055 -3.243 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.737 -5.229 0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.374 -6.139 0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.926 -5.723 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.220 -4.530 -1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.972 -6.415 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.646 -7.528 -1.404 1.00 0.00 H new ATOM 0 HE ARG A 75 0.179 -5.744 -3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.699 -8.736 -2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.695 -9.463 -4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.176 -6.685 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.837 -8.307 -5.969 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.143 -4.713 2.941 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.340 -5.033 3.711 1.00 0.00 C ATOM 1156 C HIS A 76 -3.056 -3.762 4.157 1.00 0.00 C ATOM 1157 O HIS A 76 -4.276 -3.654 4.047 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.977 -5.882 4.929 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.148 -6.593 5.535 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.634 -7.790 5.050 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.930 -6.273 6.591 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.665 -8.172 5.781 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.865 -7.268 6.724 1.00 0.00 N ATOM 0 H HIS A 76 -0.269 -4.827 3.454 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.013 -5.601 3.069 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.227 -6.617 4.638 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.520 -5.242 5.684 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.836 -5.396 7.214 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.246 -9.070 5.633 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.596 -7.304 7.435 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.287 -2.802 4.661 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.849 -1.539 5.125 1.00 0.00 C ATOM 1173 C GLU A 77 -3.486 -0.770 3.970 1.00 0.00 C ATOM 1174 O GLU A 77 -4.590 -0.242 4.096 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.764 -0.684 5.784 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.258 -1.251 7.101 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.295 -1.175 8.204 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.090 -0.212 8.206 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.313 -2.079 9.066 1.00 0.00 O ATOM 0 H GLU A 77 -1.274 -2.875 4.758 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.622 -1.763 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.925 -0.583 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.158 0.318 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.963 -2.290 6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.365 -0.706 7.408 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.780 -0.710 2.846 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.275 -0.007 1.670 1.00 0.00 C ATOM 1188 C VAL A 78 -4.515 -0.688 1.103 1.00 0.00 C ATOM 1189 O VAL A 78 -5.435 -0.026 0.621 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.199 0.073 0.569 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.032 -1.277 -0.112 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.553 1.151 -0.445 1.00 0.00 C ATOM 0 H VAL A 78 -1.863 -1.140 2.725 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.533 1.002 1.991 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.249 0.340 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.269 -1.202 -0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.730 -2.021 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.978 -1.576 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.783 1.193 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.513 0.917 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.617 2.116 0.057 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.535 -2.015 1.166 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.664 -2.787 0.660 1.00 0.00 C ATOM 1204 C LEU A 79 -6.861 -2.682 1.600 1.00 0.00 C ATOM 1205 O LEU A 79 -8.010 -2.645 1.159 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.266 -4.254 0.485 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.662 -4.628 -0.870 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.870 -5.922 -0.762 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.752 -4.754 -1.924 1.00 0.00 C ATOM 0 H LEU A 79 -3.783 -2.578 1.562 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.949 -2.376 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.548 -4.510 1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.149 -4.872 0.650 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.981 -3.833 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.448 -6.172 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.065 -5.796 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.529 -6.726 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.304 -5.020 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.458 -5.529 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.276 -3.803 -2.021 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.583 -2.633 2.899 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.637 -2.531 3.903 1.00 0.00 C ATOM 1223 C LEU A 80 -8.365 -1.195 3.793 1.00 0.00 C ATOM 1224 O LEU A 80 -9.595 -1.147 3.785 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.049 -2.690 5.306 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.940 -4.122 5.830 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.330 -4.136 7.222 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.307 -4.792 5.839 1.00 0.00 C ATOM 0 H LEU A 80 -5.638 -2.662 3.281 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.355 -3.331 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.054 -2.245 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.661 -2.115 6.002 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.286 -4.683 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.260 -5.164 7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.333 -3.696 7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.958 -3.558 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.210 -5.811 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.983 -4.230 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.707 -4.816 4.825 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.598 -0.114 3.706 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.170 1.221 3.592 1.00 0.00 C ATOM 1242 C ILE A 81 -8.971 1.369 2.303 1.00 0.00 C ATOM 1243 O ILE A 81 -10.158 1.692 2.332 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.079 2.307 3.632 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.355 2.285 4.980 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.685 3.678 3.373 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.970 2.890 4.933 1.00 0.00 C ATOM 0 H ILE A 81 -6.578 -0.137 3.712 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.834 1.352 4.446 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.352 2.099 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.954 2.825 5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.281 1.254 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.901 4.434 3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.158 3.687 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.431 3.896 4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.517 2.840 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.355 2.336 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.038 3.931 4.617 1.00 0.00 H new ATOM 1259 N SER A 82 -8.314 1.127 1.173 1.00 0.00 N ATOM 1260 CA SER A 82 -8.964 1.235 -0.128 1.00 0.00 C ATOM 1261 C SER A 82 -10.168 0.300 -0.212 1.00 0.00 C ATOM 1262 O SER A 82 -11.173 0.620 -0.845 1.00 0.00 O ATOM 1263 CB SER A 82 -7.973 0.909 -1.246 1.00 0.00 C ATOM 1264 OG SER A 82 -6.792 1.685 -1.123 1.00 0.00 O ATOM 0 H SER A 82 -7.332 0.855 1.132 1.00 0.00 H new ATOM 0 HA SER A 82 -9.312 2.261 -0.249 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.720 -0.151 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.437 1.098 -2.214 1.00 0.00 H new ATOM 0 HG SER A 82 -6.164 1.232 -0.522 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.056 -0.858 0.431 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.134 -1.839 0.430 1.00 0.00 C ATOM 1272 C ALA A 83 -12.368 -1.298 1.144 1.00 0.00 C ATOM 1273 O ALA A 83 -13.486 -1.418 0.646 1.00 0.00 O ATOM 1274 CB ALA A 83 -10.670 -3.133 1.082 1.00 0.00 C ATOM 0 H ALA A 83 -9.230 -1.139 0.959 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.406 -2.044 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.485 -3.857 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.822 -3.536 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.370 -2.935 2.111 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.157 -0.703 2.314 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.254 -0.145 3.095 1.00 0.00 C ATOM 1282 C GLU A 84 -14.075 0.834 2.261 1.00 0.00 C ATOM 1283 O GLU A 84 -15.305 0.823 2.305 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.714 0.560 4.342 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.551 -0.362 5.539 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.797 -0.426 6.401 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.687 -1.247 6.098 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -13.882 0.346 7.379 1.00 0.00 O ATOM 0 H GLU A 84 -11.237 -0.595 2.741 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.902 -0.967 3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.749 1.010 4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.388 1.374 4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.304 -1.364 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.712 -0.020 6.145 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.384 1.679 1.501 1.00 0.00 N ATOM 1296 CA GLN A 85 -14.049 2.665 0.657 1.00 0.00 C ATOM 1297 C GLN A 85 -15.007 1.988 -0.318 1.00 0.00 C ATOM 1298 O GLN A 85 -16.165 2.389 -0.444 1.00 0.00 O ATOM 1299 CB GLN A 85 -13.015 3.487 -0.113 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.913 4.057 0.766 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.452 4.906 1.901 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.643 5.211 1.951 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.574 5.291 2.820 1.00 0.00 N ATOM 0 H GLN A 85 -12.365 1.700 1.453 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.625 3.330 1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.566 2.860 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.521 4.306 -0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.322 3.239 1.178 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.241 4.659 0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.596 5.014 2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.878 5.863 3.608 1.00 0.00 H new