USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 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 27 THR OG1 : rot -43:sc= 1.03 USER MOD Set 1.2: A 31 THR OG1 : rot 84:sc= 0.739 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.263 K(o=-0.26,f=-2.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.0011) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.798 F(o=-2.5,f=-0.8) USER MOD Single : A 38 TYR OH : rot 152:sc= -0.711! USER MOD Single : A 43 SER OG : rot 180:sc= -3.44! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -160:sc= -2.01! USER MOD Single : A 67 ASN :FLIP amide:sc= -6.58! C(o=-11!,f=-6.6!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.95! C(o=-3!,f=-3.6!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -5.64! C(o=-6.2!,f=-5.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0.647 K(o=0.65,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.085 -0.206 3.154 1.00 0.00 N ATOM 216 CA CYS A 14 11.875 1.038 3.943 1.00 0.00 C ATOM 217 C CYS A 14 11.083 0.715 5.212 1.00 0.00 C ATOM 218 O CYS A 14 9.899 0.442 5.168 1.00 0.00 O ATOM 219 CB CYS A 14 11.103 1.979 3.010 1.00 0.00 C ATOM 220 SG CYS A 14 12.251 2.725 1.818 1.00 0.00 S ATOM 0 HA CYS A 14 12.807 1.497 4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.323 1.428 2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.607 2.758 3.590 1.00 0.00 H new ATOM 225 N THR A 15 11.739 0.716 6.343 1.00 0.00 N ATOM 226 CA THR A 15 11.041 0.379 7.617 1.00 0.00 C ATOM 227 C THR A 15 10.538 1.634 8.337 1.00 0.00 C ATOM 228 O THR A 15 9.805 1.542 9.301 1.00 0.00 O ATOM 229 CB THR A 15 12.094 -0.329 8.462 1.00 0.00 C ATOM 230 OG1 THR A 15 11.568 -0.586 9.757 1.00 0.00 O ATOM 231 CG2 THR A 15 13.324 0.563 8.577 1.00 0.00 C ATOM 0 H THR A 15 12.730 0.936 6.438 1.00 0.00 H new ATOM 0 HA THR A 15 10.160 -0.237 7.437 1.00 0.00 H new ATOM 0 HB THR A 15 12.370 -1.273 7.992 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.244 -1.043 10.300 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.081 0.062 9.180 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.724 0.761 7.583 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.047 1.505 9.050 1.00 0.00 H new ATOM 239 N GLY A 16 10.920 2.803 7.895 1.00 0.00 N ATOM 240 CA GLY A 16 10.445 4.036 8.580 1.00 0.00 C ATOM 241 C GLY A 16 8.916 4.096 8.531 1.00 0.00 C ATOM 242 O GLY A 16 8.234 3.197 8.978 1.00 0.00 O ATOM 0 H GLY A 16 11.535 2.955 7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.786 4.043 9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.869 4.917 8.099 1.00 0.00 H new ATOM 246 N LYS A 17 8.369 5.153 7.998 1.00 0.00 N ATOM 247 CA LYS A 17 6.885 5.265 7.930 1.00 0.00 C ATOM 248 C LYS A 17 6.463 5.760 6.546 1.00 0.00 C ATOM 249 O LYS A 17 7.292 6.083 5.721 1.00 0.00 O ATOM 250 CB LYS A 17 6.541 6.298 8.997 1.00 0.00 C ATOM 251 CG LYS A 17 5.882 5.603 10.187 1.00 0.00 C ATOM 252 CD LYS A 17 6.698 5.872 11.452 1.00 0.00 C ATOM 253 CE LYS A 17 8.103 5.287 11.289 1.00 0.00 C ATOM 254 NZ LYS A 17 8.877 5.813 12.449 1.00 0.00 N ATOM 0 H LYS A 17 8.884 5.942 7.607 1.00 0.00 H new ATOM 0 HA LYS A 17 6.377 4.314 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.443 6.817 9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.870 7.052 8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.863 5.967 10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.817 4.530 10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.759 6.944 11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.205 5.427 12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.080 4.197 11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.551 5.594 10.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.852 5.455 12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.888 6.852 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.431 5.499 13.335 1.00 0.00 H new ATOM 268 N PHE A 18 5.187 5.822 6.275 1.00 0.00 N ATOM 269 CA PHE A 18 4.750 6.300 4.935 1.00 0.00 C ATOM 270 C PHE A 18 3.618 7.318 5.051 1.00 0.00 C ATOM 271 O PHE A 18 2.722 7.183 5.860 1.00 0.00 O ATOM 272 CB PHE A 18 4.282 5.051 4.209 1.00 0.00 C ATOM 273 CG PHE A 18 5.489 4.335 3.668 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.265 3.553 4.526 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.846 4.467 2.321 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.401 2.899 4.044 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.982 3.810 1.835 1.00 0.00 C ATOM 278 CZ PHE A 18 7.761 3.027 2.697 1.00 0.00 C ATOM 0 H PHE A 18 4.437 5.565 6.917 1.00 0.00 H new ATOM 0 HA PHE A 18 5.555 6.808 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.729 4.402 4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.603 5.316 3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.986 3.454 5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.247 5.074 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.001 2.296 4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.258 3.907 0.795 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.639 2.522 2.322 1.00 0.00 H new ATOM 288 N LYS A 19 3.656 8.336 4.238 1.00 0.00 N ATOM 289 CA LYS A 19 2.589 9.370 4.277 1.00 0.00 C ATOM 290 C LYS A 19 1.735 9.264 3.016 1.00 0.00 C ATOM 291 O LYS A 19 2.215 9.458 1.921 1.00 0.00 O ATOM 292 CB LYS A 19 3.338 10.702 4.296 1.00 0.00 C ATOM 293 CG LYS A 19 2.331 11.852 4.370 1.00 0.00 C ATOM 294 CD LYS A 19 3.007 13.149 3.918 1.00 0.00 C ATOM 295 CE LYS A 19 2.826 13.319 2.408 1.00 0.00 C ATOM 296 NZ LYS A 19 2.290 14.699 2.239 1.00 0.00 N ATOM 0 H LYS A 19 4.386 8.496 3.544 1.00 0.00 H new ATOM 0 HA LYS A 19 1.926 9.261 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.013 10.740 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.952 10.799 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.470 11.638 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.958 11.959 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.575 14.000 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.068 13.125 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.772 13.195 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.137 12.576 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.139 14.891 1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.386 14.785 2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.970 15.385 2.624 1.00 0.00 H new ATOM 310 N VAL A 20 0.478 8.964 3.145 1.00 0.00 N ATOM 311 CA VAL A 20 -0.358 8.860 1.922 1.00 0.00 C ATOM 312 C VAL A 20 -0.340 10.202 1.191 1.00 0.00 C ATOM 313 O VAL A 20 -0.688 11.230 1.738 1.00 0.00 O ATOM 314 CB VAL A 20 -1.769 8.522 2.412 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.693 8.314 1.210 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.726 7.239 3.245 1.00 0.00 C ATOM 0 H VAL A 20 -0.002 8.789 4.028 1.00 0.00 H new ATOM 0 HA VAL A 20 0.004 8.101 1.228 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.145 9.343 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.697 8.073 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.725 9.226 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.316 7.494 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.730 6.998 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.348 6.420 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.069 7.384 4.102 1.00 0.00 H new ATOM 326 N VAL A 21 0.065 10.188 -0.041 1.00 0.00 N ATOM 327 CA VAL A 21 0.118 11.435 -0.841 1.00 0.00 C ATOM 328 C VAL A 21 -1.157 11.506 -1.669 1.00 0.00 C ATOM 329 O VAL A 21 -1.633 12.563 -2.034 1.00 0.00 O ATOM 330 CB VAL A 21 1.361 11.262 -1.715 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.425 12.364 -2.772 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.610 11.335 -0.834 1.00 0.00 C ATOM 0 H VAL A 21 0.367 9.350 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 21 0.179 12.354 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 21 1.311 10.295 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.315 12.228 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.538 12.315 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.468 13.336 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.499 11.212 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.647 12.303 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.575 10.542 -0.087 1.00 0.00 H new ATOM 342 N LYS A 22 -1.729 10.363 -1.928 1.00 0.00 N ATOM 343 CA LYS A 22 -3.001 10.304 -2.691 1.00 0.00 C ATOM 344 C LYS A 22 -3.689 8.972 -2.397 1.00 0.00 C ATOM 345 O LYS A 22 -3.068 7.917 -2.400 1.00 0.00 O ATOM 346 CB LYS A 22 -2.627 10.416 -4.163 1.00 0.00 C ATOM 347 CG LYS A 22 -3.864 10.129 -5.016 1.00 0.00 C ATOM 348 CD LYS A 22 -3.442 9.392 -6.287 1.00 0.00 C ATOM 349 CE LYS A 22 -4.430 9.704 -7.412 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.605 9.726 -8.653 1.00 0.00 N ATOM 0 H LYS A 22 -1.362 9.457 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.689 11.104 -2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.244 11.413 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.832 9.710 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.577 9.527 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.367 11.061 -5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.436 9.695 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.411 8.318 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.213 8.948 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.924 10.662 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.213 9.934 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.873 10.460 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.152 8.799 -8.785 1.00 0.00 H new ATOM 364 N GLU A 23 -4.964 9.026 -2.130 1.00 0.00 N ATOM 365 CA GLU A 23 -5.731 7.789 -1.803 1.00 0.00 C ATOM 366 C GLU A 23 -5.526 6.716 -2.867 1.00 0.00 C ATOM 367 O GLU A 23 -5.142 6.993 -3.986 1.00 0.00 O ATOM 368 CB GLU A 23 -7.193 8.231 -1.766 1.00 0.00 C ATOM 369 CG GLU A 23 -7.975 7.327 -0.811 1.00 0.00 C ATOM 370 CD GLU A 23 -9.433 7.242 -1.266 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.653 7.003 -2.442 1.00 0.00 O ATOM 372 OE2 GLU A 23 -10.304 7.417 -0.430 1.00 0.00 O ATOM 0 H GLU A 23 -5.515 9.884 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.405 7.351 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.262 9.269 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.624 8.182 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.531 6.332 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.922 7.721 0.204 1.00 0.00 H new ATOM 379 N ILE A 24 -5.786 5.489 -2.517 1.00 0.00 N ATOM 380 CA ILE A 24 -5.614 4.384 -3.495 1.00 0.00 C ATOM 381 C ILE A 24 -6.358 4.706 -4.792 1.00 0.00 C ATOM 382 O ILE A 24 -7.508 5.097 -4.784 1.00 0.00 O ATOM 383 CB ILE A 24 -6.207 3.141 -2.804 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.080 2.332 -2.166 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.937 2.251 -3.819 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.027 2.005 -3.228 1.00 0.00 C ATOM 0 H ILE A 24 -6.111 5.204 -1.593 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.570 4.228 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.916 3.473 -2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.628 2.897 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.476 1.412 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.348 1.379 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.746 2.816 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.236 1.925 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.221 1.427 -2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.485 1.423 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.624 2.931 -3.638 1.00 0.00 H new ATOM 398 N ALA A 25 -5.711 4.515 -5.901 1.00 0.00 N ATOM 399 CA ALA A 25 -6.370 4.773 -7.202 1.00 0.00 C ATOM 400 C ALA A 25 -6.703 3.430 -7.844 1.00 0.00 C ATOM 401 O ALA A 25 -6.273 2.397 -7.373 1.00 0.00 O ATOM 402 CB ALA A 25 -5.338 5.535 -8.033 1.00 0.00 C ATOM 0 H ALA A 25 -4.747 4.189 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.295 5.343 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.756 5.762 -9.014 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.077 6.464 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.444 4.923 -8.153 1.00 0.00 H new ATOM 408 N GLU A 26 -7.463 3.417 -8.899 1.00 0.00 N ATOM 409 CA GLU A 26 -7.801 2.114 -9.530 1.00 0.00 C ATOM 410 C GLU A 26 -7.251 2.049 -10.954 1.00 0.00 C ATOM 411 O GLU A 26 -7.553 2.880 -11.787 1.00 0.00 O ATOM 412 CB GLU A 26 -9.327 2.061 -9.533 1.00 0.00 C ATOM 413 CG GLU A 26 -9.885 3.301 -10.230 1.00 0.00 C ATOM 414 CD GLU A 26 -10.705 4.122 -9.234 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.876 3.820 -9.069 1.00 0.00 O ATOM 416 OE2 GLU A 26 -10.148 5.039 -8.651 1.00 0.00 O ATOM 0 H GLU A 26 -7.861 4.242 -9.348 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.366 1.271 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.668 1.161 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.700 2.008 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.070 3.904 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.508 3.007 -11.075 1.00 0.00 H new ATOM 423 N THR A 27 -6.448 1.062 -11.239 1.00 0.00 N ATOM 424 CA THR A 27 -5.881 0.940 -12.613 1.00 0.00 C ATOM 425 C THR A 27 -6.930 0.348 -13.556 1.00 0.00 C ATOM 426 O THR A 27 -8.060 0.117 -13.175 1.00 0.00 O ATOM 427 CB THR A 27 -4.687 -0.009 -12.480 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.153 -1.350 -12.460 1.00 0.00 O ATOM 429 CG2 THR A 27 -3.923 0.288 -11.187 1.00 0.00 C ATOM 0 H THR A 27 -6.160 0.336 -10.583 1.00 0.00 H new ATOM 0 HA THR A 27 -5.583 1.905 -13.022 1.00 0.00 H new ATOM 0 HB THR A 27 -4.018 0.135 -13.328 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.945 -1.413 -11.886 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.075 -0.392 -11.101 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.563 1.317 -11.205 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.586 0.151 -10.333 1.00 0.00 H new ATOM 437 N GLN A 28 -6.566 0.095 -14.782 1.00 0.00 N ATOM 438 CA GLN A 28 -7.546 -0.487 -15.743 1.00 0.00 C ATOM 439 C GLN A 28 -7.317 -1.995 -15.878 1.00 0.00 C ATOM 440 O GLN A 28 -7.491 -2.567 -16.936 1.00 0.00 O ATOM 441 CB GLN A 28 -7.269 0.220 -17.071 1.00 0.00 C ATOM 442 CG GLN A 28 -7.250 1.734 -16.849 1.00 0.00 C ATOM 443 CD GLN A 28 -7.808 2.439 -18.087 1.00 0.00 C ATOM 444 OE1 GLN A 28 -8.076 1.808 -19.090 1.00 0.00 O ATOM 445 NE2 GLN A 28 -7.995 3.731 -18.060 1.00 0.00 N ATOM 0 H GLN A 28 -5.634 0.265 -15.160 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.577 -0.349 -15.418 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.314 -0.110 -17.479 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.035 -0.042 -17.801 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.844 1.991 -15.972 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.232 2.071 -16.654 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.770 4.261 -17.218 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.366 4.210 -18.881 1.00 0.00 H new ATOM 454 N HIS A 29 -6.927 -2.643 -14.814 1.00 0.00 N ATOM 455 CA HIS A 29 -6.686 -4.113 -14.883 1.00 0.00 C ATOM 456 C HIS A 29 -7.189 -4.798 -13.608 1.00 0.00 C ATOM 457 O HIS A 29 -6.952 -5.968 -13.387 1.00 0.00 O ATOM 458 CB HIS A 29 -5.168 -4.257 -15.001 1.00 0.00 C ATOM 459 CG HIS A 29 -4.793 -4.449 -16.445 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.871 -3.634 -17.082 1.00 0.00 N ATOM 461 CD2 HIS A 29 -5.208 -5.356 -17.388 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.761 -4.063 -18.353 1.00 0.00 C ATOM 463 NE2 HIS A 29 -4.555 -5.110 -18.592 1.00 0.00 N ATOM 0 H HIS A 29 -6.765 -2.219 -13.901 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.210 -4.577 -15.719 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.676 -3.370 -14.601 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.825 -5.106 -14.409 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.931 -6.141 -17.221 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.110 -3.615 -19.090 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.660 -5.620 -19.469 1.00 0.00 H new ATOM 471 N GLY A 30 -7.879 -4.078 -12.767 1.00 0.00 N ATOM 472 CA GLY A 30 -8.391 -4.688 -11.508 1.00 0.00 C ATOM 473 C GLY A 30 -7.462 -4.320 -10.351 1.00 0.00 C ATOM 474 O GLY A 30 -7.712 -4.653 -9.209 1.00 0.00 O ATOM 0 H GLY A 30 -8.110 -3.093 -12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.402 -4.334 -11.304 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.448 -5.771 -11.613 1.00 0.00 H new ATOM 478 N THR A 31 -6.389 -3.633 -10.636 1.00 0.00 N ATOM 479 CA THR A 31 -5.440 -3.239 -9.555 1.00 0.00 C ATOM 480 C THR A 31 -5.806 -1.862 -9.006 1.00 0.00 C ATOM 481 O THR A 31 -6.774 -1.250 -9.412 1.00 0.00 O ATOM 482 CB THR A 31 -4.067 -3.180 -10.229 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.218 -3.313 -11.636 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.196 -4.315 -9.700 1.00 0.00 C ATOM 0 H THR A 31 -6.128 -3.327 -11.573 1.00 0.00 H new ATOM 0 HA THR A 31 -5.462 -3.940 -8.720 1.00 0.00 H new ATOM 0 HB THR A 31 -3.595 -2.223 -10.007 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.430 -2.439 -12.026 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.217 -4.276 -10.178 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.077 -4.210 -8.622 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.670 -5.271 -9.922 1.00 0.00 H new ATOM 492 N ILE A 32 -5.014 -1.363 -8.104 1.00 0.00 N ATOM 493 CA ILE A 32 -5.270 -0.014 -7.532 1.00 0.00 C ATOM 494 C ILE A 32 -3.926 0.662 -7.331 1.00 0.00 C ATOM 495 O ILE A 32 -2.899 0.035 -7.453 1.00 0.00 O ATOM 496 CB ILE A 32 -5.990 -0.196 -6.184 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.052 -1.674 -5.782 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.412 0.353 -6.302 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.165 -1.785 -4.260 1.00 0.00 C ATOM 0 H ILE A 32 -4.190 -1.837 -7.734 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.891 0.596 -8.188 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.433 0.344 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.907 -2.155 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.160 -2.194 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.930 0.228 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.373 1.412 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.948 -0.189 -7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.209 -2.836 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.296 -1.319 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.071 -1.279 -3.925 1.00 0.00 H new ATOM 511 N VAL A 33 -3.905 1.927 -7.055 1.00 0.00 N ATOM 512 CA VAL A 33 -2.593 2.600 -6.897 1.00 0.00 C ATOM 513 C VAL A 33 -2.536 3.451 -5.632 1.00 0.00 C ATOM 514 O VAL A 33 -3.359 4.314 -5.411 1.00 0.00 O ATOM 515 CB VAL A 33 -2.501 3.478 -8.132 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.220 4.303 -8.073 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.498 2.589 -9.375 1.00 0.00 C ATOM 0 H VAL A 33 -4.726 2.520 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.773 1.889 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.355 4.154 -8.174 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.152 4.934 -8.959 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.232 4.930 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.359 3.636 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.432 3.211 -10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.642 1.915 -9.338 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.418 2.005 -9.407 1.00 0.00 H new ATOM 527 N ILE A 34 -1.550 3.227 -4.807 1.00 0.00 N ATOM 528 CA ILE A 34 -1.426 4.035 -3.576 1.00 0.00 C ATOM 529 C ILE A 34 -0.232 4.975 -3.692 1.00 0.00 C ATOM 530 O ILE A 34 0.903 4.558 -3.770 1.00 0.00 O ATOM 531 CB ILE A 34 -1.262 3.021 -2.437 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.088 3.509 -1.265 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.203 2.888 -2.002 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.443 4.765 -0.693 1.00 0.00 C ATOM 0 H ILE A 34 -0.828 2.518 -4.938 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.293 4.671 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.593 2.041 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.108 3.722 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.150 2.735 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.278 2.161 -1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.805 2.554 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.569 3.855 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.031 5.124 0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.431 4.535 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.404 5.537 -1.462 1.00 0.00 H new ATOM 546 N ARG A 35 -0.484 6.240 -3.693 1.00 0.00 N ATOM 547 CA ARG A 35 0.632 7.207 -3.798 1.00 0.00 C ATOM 548 C ARG A 35 0.950 7.712 -2.395 1.00 0.00 C ATOM 549 O ARG A 35 0.106 8.259 -1.713 1.00 0.00 O ATOM 550 CB ARG A 35 0.100 8.298 -4.736 1.00 0.00 C ATOM 551 CG ARG A 35 0.539 9.688 -4.269 1.00 0.00 C ATOM 552 CD ARG A 35 0.357 10.690 -5.410 1.00 0.00 C ATOM 553 NE ARG A 35 1.712 10.838 -6.013 1.00 0.00 N ATOM 554 CZ ARG A 35 1.854 11.423 -7.172 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.810 11.885 -7.807 1.00 0.00 N ATOM 556 NH2 ARG A 35 3.042 11.549 -7.696 1.00 0.00 N ATOM 0 H ARG A 35 -1.415 6.652 -3.626 1.00 0.00 H new ATOM 0 HA ARG A 35 1.563 6.801 -4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.462 8.120 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.988 8.251 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.049 9.995 -3.404 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.582 9.665 -3.954 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.364 10.327 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.017 11.645 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 35 2.530 10.482 -5.519 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.119 11.789 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.924 12.341 -8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.859 11.191 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.154 12.006 -8.601 1.00 0.00 H new ATOM 570 N VAL A 36 2.154 7.507 -1.946 1.00 0.00 N ATOM 571 CA VAL A 36 2.515 7.941 -0.588 1.00 0.00 C ATOM 572 C VAL A 36 3.962 8.344 -0.574 1.00 0.00 C ATOM 573 O VAL A 36 4.740 7.952 -1.409 1.00 0.00 O ATOM 574 CB VAL A 36 2.263 6.732 0.322 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.017 5.982 -0.148 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.466 5.780 0.285 1.00 0.00 C ATOM 0 H VAL A 36 2.902 7.054 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 36 1.933 8.798 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 36 2.116 7.088 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.842 5.124 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.155 6.648 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.164 5.638 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.274 4.926 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.623 5.431 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.357 6.306 0.629 1.00 0.00 H new ATOM 586 N GLN A 37 4.322 9.126 0.362 1.00 0.00 N ATOM 587 CA GLN A 37 5.708 9.574 0.433 1.00 0.00 C ATOM 588 C GLN A 37 6.400 8.837 1.568 1.00 0.00 C ATOM 589 O GLN A 37 5.937 8.830 2.691 1.00 0.00 O ATOM 590 CB GLN A 37 5.555 11.052 0.724 1.00 0.00 C ATOM 591 CG GLN A 37 6.920 11.741 0.706 1.00 0.00 C ATOM 592 CD GLN A 37 7.146 12.464 2.034 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.751 13.700 2.165 1.00 0.00 O flip ATOM 594 NE2 GLN A 37 7.688 11.899 2.962 1.00 0.00 N flip ATOM 0 H GLN A 37 3.709 9.482 1.095 1.00 0.00 H new ATOM 0 HA GLN A 37 6.306 9.389 -0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.899 11.509 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.083 11.191 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.708 11.006 0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.970 12.451 -0.119 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.997 10.932 2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.834 12.391 3.843 1.00 0.00 H new ATOM 603 N TYR A 38 7.484 8.191 1.284 1.00 0.00 N ATOM 604 CA TYR A 38 8.173 7.427 2.359 1.00 0.00 C ATOM 605 C TYR A 38 8.591 8.366 3.493 1.00 0.00 C ATOM 606 O TYR A 38 9.285 9.340 3.291 1.00 0.00 O ATOM 607 CB TYR A 38 9.399 6.804 1.690 1.00 0.00 C ATOM 608 CG TYR A 38 10.274 6.151 2.735 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.722 5.729 3.952 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.638 5.965 2.484 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.537 5.124 4.917 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.451 5.360 3.449 1.00 0.00 C ATOM 613 CZ TYR A 38 11.901 4.940 4.665 1.00 0.00 C ATOM 614 OH TYR A 38 12.703 4.342 5.616 1.00 0.00 O ATOM 0 H TYR A 38 7.925 8.155 0.365 1.00 0.00 H new ATOM 0 HA TYR A 38 7.528 6.668 2.801 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.086 6.066 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.963 7.570 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.669 5.870 4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.063 6.288 1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.113 4.799 5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.504 5.217 3.255 1.00 0.00 H new ATOM 0 HH TYR A 38 13.453 3.891 5.175 1.00 0.00 H new ATOM 624 N GLU A 39 8.164 8.075 4.690 1.00 0.00 N ATOM 625 CA GLU A 39 8.523 8.938 5.851 1.00 0.00 C ATOM 626 C GLU A 39 9.453 8.178 6.795 1.00 0.00 C ATOM 627 O GLU A 39 9.009 7.473 7.678 1.00 0.00 O ATOM 628 CB GLU A 39 7.197 9.232 6.548 1.00 0.00 C ATOM 629 CG GLU A 39 6.558 10.478 5.931 1.00 0.00 C ATOM 630 CD GLU A 39 7.284 11.727 6.435 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.607 11.767 7.610 1.00 0.00 O ATOM 632 OE2 GLU A 39 7.505 12.622 5.635 1.00 0.00 O ATOM 0 H GLU A 39 7.578 7.271 4.916 1.00 0.00 H new ATOM 0 HA GLU A 39 9.039 9.849 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.525 8.379 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.361 9.385 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.612 10.427 4.844 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.502 10.527 6.196 1.00 0.00 H new ATOM 639 N GLY A 40 10.737 8.307 6.617 1.00 0.00 N ATOM 640 CA GLY A 40 11.674 7.578 7.510 1.00 0.00 C ATOM 641 C GLY A 40 13.067 7.564 6.897 1.00 0.00 C ATOM 642 O GLY A 40 13.452 8.457 6.170 1.00 0.00 O ATOM 0 H GLY A 40 11.175 8.882 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.703 8.056 8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.324 6.557 7.663 1.00 0.00 H new ATOM 646 N ASP A 41 13.828 6.553 7.192 1.00 0.00 N ATOM 647 CA ASP A 41 15.206 6.470 6.634 1.00 0.00 C ATOM 648 C ASP A 41 15.313 5.311 5.644 1.00 0.00 C ATOM 649 O ASP A 41 15.009 4.179 5.966 1.00 0.00 O ATOM 650 CB ASP A 41 16.109 6.231 7.844 1.00 0.00 C ATOM 651 CG ASP A 41 16.646 7.569 8.355 1.00 0.00 C ATOM 652 OD1 ASP A 41 16.011 8.578 8.094 1.00 0.00 O ATOM 653 OD2 ASP A 41 17.681 7.563 8.999 1.00 0.00 O ATOM 0 H ASP A 41 13.557 5.777 7.797 1.00 0.00 H new ATOM 0 HA ASP A 41 15.484 7.372 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.551 5.726 8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.936 5.576 7.570 1.00 0.00 H new ATOM 658 N GLY A 42 15.744 5.579 4.440 1.00 0.00 N ATOM 659 CA GLY A 42 15.867 4.480 3.444 1.00 0.00 C ATOM 660 C GLY A 42 16.332 5.027 2.093 1.00 0.00 C ATOM 661 O GLY A 42 16.953 4.324 1.322 1.00 0.00 O ATOM 0 H GLY A 42 16.014 6.504 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.575 3.734 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.907 3.978 3.328 1.00 0.00 H new ATOM 665 N SER A 43 16.037 6.264 1.781 1.00 0.00 N ATOM 666 CA SER A 43 16.477 6.794 0.462 1.00 0.00 C ATOM 667 C SER A 43 16.078 5.765 -0.609 1.00 0.00 C ATOM 668 O SER A 43 15.153 5.016 -0.387 1.00 0.00 O ATOM 669 CB SER A 43 17.989 6.910 0.622 1.00 0.00 C ATOM 670 OG SER A 43 18.468 8.008 -0.144 1.00 0.00 O ATOM 0 H SER A 43 15.521 6.916 2.372 1.00 0.00 H new ATOM 0 HA SER A 43 16.039 7.747 0.166 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.244 7.048 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.471 5.988 0.296 1.00 0.00 H new ATOM 0 HG SER A 43 19.439 8.082 -0.038 1.00 0.00 H new ATOM 676 N PRO A 44 16.771 5.721 -1.726 1.00 0.00 N ATOM 677 CA PRO A 44 16.418 4.718 -2.754 1.00 0.00 C ATOM 678 C PRO A 44 16.241 3.364 -2.066 1.00 0.00 C ATOM 679 O PRO A 44 17.191 2.652 -1.806 1.00 0.00 O ATOM 680 CB PRO A 44 17.614 4.731 -3.700 1.00 0.00 C ATOM 681 CG PRO A 44 18.216 6.091 -3.538 1.00 0.00 C ATOM 682 CD PRO A 44 17.897 6.558 -2.139 1.00 0.00 C ATOM 0 HA PRO A 44 15.491 4.921 -3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.329 3.949 -3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.305 4.556 -4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.294 6.055 -3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.809 6.782 -4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 44 18.751 6.432 -1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.633 7.616 -2.123 1.00 0.00 H new ATOM 690 N CYS A 45 15.027 3.032 -1.729 1.00 0.00 N ATOM 691 CA CYS A 45 14.765 1.754 -1.008 1.00 0.00 C ATOM 692 C CYS A 45 13.360 1.229 -1.357 1.00 0.00 C ATOM 693 O CYS A 45 12.595 1.887 -2.025 1.00 0.00 O ATOM 694 CB CYS A 45 14.905 2.150 0.475 1.00 0.00 C ATOM 695 SG CYS A 45 13.674 1.320 1.511 1.00 0.00 S ATOM 0 H CYS A 45 14.199 3.594 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 45 15.443 0.942 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.906 1.897 0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.796 3.230 0.575 1.00 0.00 H new ATOM 700 N LYS A 46 13.030 0.039 -0.921 1.00 0.00 N ATOM 701 CA LYS A 46 11.690 -0.542 -1.252 1.00 0.00 C ATOM 702 C LYS A 46 10.590 -0.011 -0.333 1.00 0.00 C ATOM 703 O LYS A 46 10.836 0.743 0.583 1.00 0.00 O ATOM 704 CB LYS A 46 11.858 -2.046 -1.040 1.00 0.00 C ATOM 705 CG LYS A 46 12.310 -2.711 -2.339 1.00 0.00 C ATOM 706 CD LYS A 46 12.121 -4.224 -2.220 1.00 0.00 C ATOM 707 CE LYS A 46 12.769 -4.724 -0.926 1.00 0.00 C ATOM 708 NZ LYS A 46 12.216 -6.092 -0.724 1.00 0.00 N ATOM 0 H LYS A 46 13.630 -0.556 -0.350 1.00 0.00 H new ATOM 0 HA LYS A 46 11.389 -0.279 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.590 -2.231 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.916 -2.482 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.733 -2.325 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.356 -2.477 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.059 -4.469 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.568 -4.725 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.855 -4.746 -1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.528 -4.072 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.613 -6.502 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.181 -6.039 -0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.467 -6.691 -1.536 1.00 0.00 H new ATOM 722 N ILE A 47 9.364 -0.394 -0.598 1.00 0.00 N ATOM 723 CA ILE A 47 8.221 0.091 0.225 1.00 0.00 C ATOM 724 C ILE A 47 7.415 -1.076 0.807 1.00 0.00 C ATOM 725 O ILE A 47 6.979 -1.949 0.085 1.00 0.00 O ATOM 726 CB ILE A 47 7.360 0.866 -0.764 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.263 1.779 -1.587 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.330 1.705 -0.007 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.843 2.849 -0.671 1.00 0.00 C ATOM 0 H ILE A 47 9.109 -1.027 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 47 8.555 0.688 1.074 1.00 0.00 H new ATOM 0 HB ILE A 47 6.835 0.173 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.064 1.202 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.697 2.241 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.717 2.257 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.694 1.050 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.844 2.407 0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.491 3.509 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.032 3.430 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.421 2.375 0.122 1.00 0.00 H new ATOM 741 N PRO A 48 7.226 -1.033 2.098 1.00 0.00 N ATOM 742 CA PRO A 48 6.439 -2.082 2.798 1.00 0.00 C ATOM 743 C PRO A 48 4.986 -2.068 2.319 1.00 0.00 C ATOM 744 O PRO A 48 4.424 -1.027 2.038 1.00 0.00 O ATOM 745 CB PRO A 48 6.508 -1.662 4.263 1.00 0.00 C ATOM 746 CG PRO A 48 7.683 -0.745 4.344 1.00 0.00 C ATOM 747 CD PRO A 48 7.723 -0.024 3.031 1.00 0.00 C ATOM 0 HA PRO A 48 6.820 -3.087 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.592 -1.159 4.574 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.635 -2.525 4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.577 -0.045 5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.604 -1.302 4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.094 0.866 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.732 0.301 2.777 1.00 0.00 H new ATOM 755 N PHE A 49 4.375 -3.212 2.223 1.00 0.00 N ATOM 756 CA PHE A 49 2.965 -3.270 1.763 1.00 0.00 C ATOM 757 C PHE A 49 2.262 -4.491 2.360 1.00 0.00 C ATOM 758 O PHE A 49 2.896 -5.438 2.784 1.00 0.00 O ATOM 759 CB PHE A 49 3.077 -3.417 0.256 1.00 0.00 C ATOM 760 CG PHE A 49 1.818 -2.899 -0.405 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.574 -1.521 -0.470 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.892 -3.798 -0.952 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.408 -1.044 -1.081 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.273 -3.319 -1.562 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.515 -1.943 -1.626 1.00 0.00 C ATOM 0 H PHE A 49 4.795 -4.115 2.445 1.00 0.00 H new ATOM 0 HA PHE A 49 2.388 -2.395 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.943 -2.865 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.232 -4.464 -0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.286 -0.826 -0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.078 -4.861 -0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.221 0.018 -1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.986 -4.012 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.415 -1.574 -2.096 1.00 0.00 H new ATOM 775 N GLU A 50 0.959 -4.484 2.387 1.00 0.00 N ATOM 776 CA GLU A 50 0.220 -5.648 2.947 1.00 0.00 C ATOM 777 C GLU A 50 -1.285 -5.441 2.752 1.00 0.00 C ATOM 778 O GLU A 50 -1.928 -4.730 3.496 1.00 0.00 O ATOM 779 CB GLU A 50 0.592 -5.675 4.429 1.00 0.00 C ATOM 780 CG GLU A 50 -0.340 -6.630 5.169 1.00 0.00 C ATOM 781 CD GLU A 50 0.480 -7.754 5.805 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.445 -7.446 6.485 1.00 0.00 O ATOM 783 OE2 GLU A 50 0.128 -8.905 5.602 1.00 0.00 O ATOM 0 H GLU A 50 0.374 -3.722 2.045 1.00 0.00 H new ATOM 0 HA GLU A 50 0.474 -6.589 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.627 -5.994 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.515 -4.674 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.895 -6.091 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.074 -7.047 4.479 1.00 0.00 H new ATOM 790 N ILE A 51 -1.847 -6.041 1.739 1.00 0.00 N ATOM 791 CA ILE A 51 -3.304 -5.857 1.479 1.00 0.00 C ATOM 792 C ILE A 51 -4.149 -6.814 2.330 1.00 0.00 C ATOM 793 O ILE A 51 -5.278 -7.114 1.997 1.00 0.00 O ATOM 794 CB ILE A 51 -3.474 -6.158 -0.009 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.700 -5.115 -0.824 1.00 0.00 C ATOM 796 CG2 ILE A 51 -4.958 -6.097 -0.377 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.861 -5.400 -2.319 1.00 0.00 C ATOM 0 H ILE A 51 -1.362 -6.650 1.080 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.639 -4.853 1.740 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.090 -7.154 -0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.067 -4.115 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.645 -5.138 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.079 -6.312 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.508 -6.834 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.346 -5.101 -0.162 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.309 -4.656 -2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.472 -6.393 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.917 -5.354 -2.586 1.00 0.00 H new ATOM 970 N GLY A 61 -3.716 -10.323 -1.222 1.00 0.00 N ATOM 971 CA GLY A 61 -3.892 -9.614 -2.522 1.00 0.00 C ATOM 972 C GLY A 61 -2.601 -9.724 -3.335 1.00 0.00 C ATOM 973 O GLY A 61 -1.744 -10.535 -3.045 1.00 0.00 O ATOM 0 HA2 GLY A 61 -4.723 -10.049 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.138 -8.566 -2.348 1.00 0.00 H new ATOM 977 N ARG A 62 -2.454 -8.919 -4.349 1.00 0.00 N ATOM 978 CA ARG A 62 -1.215 -8.986 -5.174 1.00 0.00 C ATOM 979 C ARG A 62 -0.638 -7.591 -5.378 1.00 0.00 C ATOM 980 O ARG A 62 -1.336 -6.600 -5.322 1.00 0.00 O ATOM 981 CB ARG A 62 -1.656 -9.567 -6.514 1.00 0.00 C ATOM 982 CG ARG A 62 -0.725 -10.718 -6.894 1.00 0.00 C ATOM 983 CD ARG A 62 0.086 -10.331 -8.133 1.00 0.00 C ATOM 984 NE ARG A 62 0.487 -11.626 -8.749 1.00 0.00 N ATOM 985 CZ ARG A 62 -0.386 -12.336 -9.410 1.00 0.00 C ATOM 986 NH1 ARG A 62 -1.616 -11.916 -9.536 1.00 0.00 N ATOM 987 NH2 ARG A 62 -0.029 -13.472 -9.947 1.00 0.00 N ATOM 0 H ARG A 62 -3.136 -8.219 -4.642 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.443 -9.590 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.685 -9.922 -6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.633 -8.796 -7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.055 -10.947 -6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.306 -11.619 -7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.509 -9.733 -8.823 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.958 -9.735 -7.864 1.00 0.00 H new ATOM 0 HE ARG A 62 1.446 -11.959 -8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.898 -11.030 -9.117 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.295 -12.474 -10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.931 -13.803 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.710 -14.028 -10.464 1.00 0.00 H new ATOM 1001 N LEU A 63 0.633 -7.510 -5.627 1.00 0.00 N ATOM 1002 CA LEU A 63 1.260 -6.194 -5.853 1.00 0.00 C ATOM 1003 C LEU A 63 1.766 -6.139 -7.296 1.00 0.00 C ATOM 1004 O LEU A 63 2.640 -6.887 -7.683 1.00 0.00 O ATOM 1005 CB LEU A 63 2.413 -6.136 -4.843 1.00 0.00 C ATOM 1006 CG LEU A 63 2.615 -4.705 -4.353 1.00 0.00 C ATOM 1007 CD1 LEU A 63 3.180 -3.865 -5.490 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.281 -4.113 -3.899 1.00 0.00 C ATOM 0 H LEU A 63 1.266 -8.307 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 63 0.583 -5.351 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.199 -6.790 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.330 -6.502 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 63 3.307 -4.706 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.327 -2.841 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.135 -4.281 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.483 -3.871 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.436 -3.092 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.581 -4.110 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.873 -4.715 -3.087 1.00 0.00 H new ATOM 1020 N ILE A 64 1.230 -5.261 -8.097 1.00 0.00 N ATOM 1021 CA ILE A 64 1.693 -5.168 -9.509 1.00 0.00 C ATOM 1022 C ILE A 64 2.984 -4.370 -9.516 1.00 0.00 C ATOM 1023 O ILE A 64 3.851 -4.543 -10.350 1.00 0.00 O ATOM 1024 CB ILE A 64 0.578 -4.434 -10.250 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.552 -5.417 -10.559 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.121 -3.852 -11.556 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -1.041 -6.055 -9.258 1.00 0.00 C ATOM 0 H ILE A 64 0.493 -4.606 -7.836 1.00 0.00 H new ATOM 0 HA ILE A 64 1.888 -6.133 -9.977 1.00 0.00 H new ATOM 0 HB ILE A 64 0.200 -3.623 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.374 -4.900 -11.054 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.201 -6.188 -11.245 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.322 -3.329 -12.081 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.928 -3.153 -11.335 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.501 -4.658 -12.183 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.847 -6.756 -9.477 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.217 -6.586 -8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.408 -5.278 -8.587 1.00 0.00 H new ATOM 1039 N THR A 65 3.114 -3.520 -8.548 1.00 0.00 N ATOM 1040 CA THR A 65 4.336 -2.704 -8.402 1.00 0.00 C ATOM 1041 C THR A 65 5.214 -3.395 -7.355 1.00 0.00 C ATOM 1042 O THR A 65 5.902 -2.775 -6.571 1.00 0.00 O ATOM 1043 CB THR A 65 3.795 -1.350 -7.930 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.466 -0.555 -9.060 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.824 -0.621 -7.084 1.00 0.00 C ATOM 0 H THR A 65 2.405 -3.353 -7.834 1.00 0.00 H new ATOM 0 HA THR A 65 4.945 -2.583 -9.298 1.00 0.00 H new ATOM 0 HB THR A 65 2.907 -1.524 -7.323 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.427 0.388 -8.796 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.417 0.337 -6.761 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.070 -1.224 -6.210 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.725 -0.452 -7.673 1.00 0.00 H new ATOM 1053 N VAL A 66 5.151 -4.702 -7.348 1.00 0.00 N ATOM 1054 CA VAL A 66 5.925 -5.527 -6.369 1.00 0.00 C ATOM 1055 C VAL A 66 7.186 -4.803 -5.899 1.00 0.00 C ATOM 1056 O VAL A 66 7.822 -4.080 -6.638 1.00 0.00 O ATOM 1057 CB VAL A 66 6.286 -6.810 -7.126 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.354 -7.590 -6.352 1.00 0.00 C ATOM 1059 CG2 VAL A 66 5.038 -7.686 -7.271 1.00 0.00 C ATOM 0 H VAL A 66 4.581 -5.246 -7.996 1.00 0.00 H new ATOM 0 HA VAL A 66 5.344 -5.728 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 66 6.671 -6.544 -8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.605 -8.500 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.247 -6.974 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.971 -7.851 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.294 -8.598 -7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.657 -7.943 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.273 -7.141 -7.824 1.00 0.00 H new ATOM 1069 N ASN A 67 7.542 -5.004 -4.664 1.00 0.00 N ATOM 1070 CA ASN A 67 8.755 -4.356 -4.102 1.00 0.00 C ATOM 1071 C ASN A 67 8.898 -2.907 -4.594 1.00 0.00 C ATOM 1072 O ASN A 67 9.935 -2.517 -5.088 1.00 0.00 O ATOM 1073 CB ASN A 67 9.923 -5.238 -4.572 1.00 0.00 C ATOM 1074 CG ASN A 67 10.357 -4.862 -5.994 1.00 0.00 C ATOM 1075 OD1 ASN A 67 9.771 -5.423 -7.014 1.00 0.00 O flip ATOM 1076 ND2 ASN A 67 11.251 -4.060 -6.176 1.00 0.00 N flip ATOM 0 H ASN A 67 7.035 -5.600 -4.010 1.00 0.00 H new ATOM 0 HA ASN A 67 8.716 -4.283 -3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.765 -5.127 -3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.626 -6.286 -4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.711 -3.620 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.542 -3.827 -7.126 1.00 0.00 H new ATOM 1083 N PRO A 68 7.853 -2.142 -4.413 1.00 0.00 N ATOM 1084 CA PRO A 68 7.891 -0.720 -4.824 1.00 0.00 C ATOM 1085 C PRO A 68 9.081 -0.045 -4.147 1.00 0.00 C ATOM 1086 O PRO A 68 9.547 -0.501 -3.124 1.00 0.00 O ATOM 1087 CB PRO A 68 6.564 -0.133 -4.341 1.00 0.00 C ATOM 1088 CG PRO A 68 5.871 -1.216 -3.560 1.00 0.00 C ATOM 1089 CD PRO A 68 6.574 -2.524 -3.822 1.00 0.00 C ATOM 0 HA PRO A 68 8.009 -0.581 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.733 0.745 -3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.953 0.187 -5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.888 -0.984 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.824 -1.284 -3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.716 -3.089 -2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.998 -3.156 -4.498 1.00 0.00 H new ATOM 1097 N ILE A 69 9.604 1.012 -4.717 1.00 0.00 N ATOM 1098 CA ILE A 69 10.801 1.653 -4.096 1.00 0.00 C ATOM 1099 C ILE A 69 10.764 3.183 -4.175 1.00 0.00 C ATOM 1100 O ILE A 69 10.315 3.760 -5.146 1.00 0.00 O ATOM 1101 CB ILE A 69 11.966 1.138 -4.944 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.064 -0.398 -4.797 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.269 1.840 -4.523 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.441 -0.829 -4.273 1.00 0.00 C ATOM 0 H ILE A 69 9.261 1.452 -5.571 1.00 0.00 H new ATOM 0 HA ILE A 69 10.868 1.412 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 69 11.796 1.367 -5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.289 -0.749 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.878 -0.869 -5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.095 1.469 -5.130 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.166 2.915 -4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.470 1.633 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.472 -1.915 -4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.214 -0.500 -4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.616 -0.378 -3.296 1.00 0.00 H new ATOM 1116 N VAL A 70 11.301 3.834 -3.176 1.00 0.00 N ATOM 1117 CA VAL A 70 11.376 5.325 -3.200 1.00 0.00 C ATOM 1118 C VAL A 70 12.732 5.705 -3.795 1.00 0.00 C ATOM 1119 O VAL A 70 13.596 4.865 -3.936 1.00 0.00 O ATOM 1120 CB VAL A 70 11.298 5.778 -1.736 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.402 7.301 -1.658 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.967 5.345 -1.130 1.00 0.00 C ATOM 0 H VAL A 70 11.692 3.396 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 70 10.581 5.785 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 70 12.120 5.323 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.346 7.617 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.352 7.623 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.582 7.751 -2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.918 5.670 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.148 5.796 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.883 4.259 -1.175 1.00 0.00 H new ATOM 1132 N THR A 71 12.942 6.942 -4.147 1.00 0.00 N ATOM 1133 CA THR A 71 14.265 7.308 -4.726 1.00 0.00 C ATOM 1134 C THR A 71 14.977 8.348 -3.856 1.00 0.00 C ATOM 1135 O THR A 71 16.182 8.492 -3.915 1.00 0.00 O ATOM 1136 CB THR A 71 13.963 7.884 -6.107 1.00 0.00 C ATOM 1137 OG1 THR A 71 12.937 7.118 -6.724 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.232 7.827 -6.958 1.00 0.00 C ATOM 0 H THR A 71 12.269 7.704 -4.062 1.00 0.00 H new ATOM 0 HA THR A 71 14.927 6.444 -4.781 1.00 0.00 H new ATOM 0 HB THR A 71 13.631 8.918 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.741 7.488 -7.610 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.026 8.237 -7.947 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.017 8.412 -6.480 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.559 6.792 -7.055 1.00 0.00 H new ATOM 1146 N GLU A 72 14.253 9.078 -3.055 1.00 0.00 N ATOM 1147 CA GLU A 72 14.919 10.103 -2.201 1.00 0.00 C ATOM 1148 C GLU A 72 14.333 10.104 -0.789 1.00 0.00 C ATOM 1149 O GLU A 72 14.476 11.060 -0.054 1.00 0.00 O ATOM 1150 CB GLU A 72 14.642 11.435 -2.894 1.00 0.00 C ATOM 1151 CG GLU A 72 15.190 11.391 -4.321 1.00 0.00 C ATOM 1152 CD GLU A 72 16.103 12.596 -4.559 1.00 0.00 C ATOM 1153 OE1 GLU A 72 16.144 13.464 -3.703 1.00 0.00 O ATOM 1154 OE2 GLU A 72 16.748 12.630 -5.595 1.00 0.00 O ATOM 0 H GLU A 72 13.240 9.012 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 72 15.986 9.907 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.570 11.632 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.108 12.250 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.744 10.466 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.368 11.398 -5.037 1.00 0.00 H new ATOM 1161 N LYS A 73 13.676 9.043 -0.405 1.00 0.00 N ATOM 1162 CA LYS A 73 13.077 8.969 0.964 1.00 0.00 C ATOM 1163 C LYS A 73 11.849 9.875 1.078 1.00 0.00 C ATOM 1164 O LYS A 73 11.154 9.856 2.071 1.00 0.00 O ATOM 1165 CB LYS A 73 14.176 9.442 1.918 1.00 0.00 C ATOM 1166 CG LYS A 73 13.876 8.945 3.332 1.00 0.00 C ATOM 1167 CD LYS A 73 13.626 10.147 4.247 1.00 0.00 C ATOM 1168 CE LYS A 73 14.853 10.379 5.132 1.00 0.00 C ATOM 1169 NZ LYS A 73 14.375 11.271 6.224 1.00 0.00 N ATOM 0 H LYS A 73 13.526 8.217 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 73 12.741 7.958 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.145 9.067 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.236 10.530 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.003 8.292 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.712 8.355 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.422 11.036 3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.746 9.970 4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.237 9.439 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.664 10.842 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.161 11.476 6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.022 12.160 5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.608 10.801 6.746 1.00 0.00 H new ATOM 1183 N ASP A 74 11.574 10.672 0.085 1.00 0.00 N ATOM 1184 CA ASP A 74 10.391 11.569 0.164 1.00 0.00 C ATOM 1185 C ASP A 74 9.639 11.581 -1.169 1.00 0.00 C ATOM 1186 O ASP A 74 8.641 12.254 -1.318 1.00 0.00 O ATOM 1187 CB ASP A 74 10.974 12.946 0.463 1.00 0.00 C ATOM 1188 CG ASP A 74 9.907 13.826 1.116 1.00 0.00 C ATOM 1189 OD1 ASP A 74 8.833 13.940 0.548 1.00 0.00 O ATOM 1190 OD2 ASP A 74 10.181 14.369 2.173 1.00 0.00 O ATOM 0 H ASP A 74 12.116 10.741 -0.776 1.00 0.00 H new ATOM 0 HA ASP A 74 9.676 11.249 0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.836 12.851 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.328 13.410 -0.458 1.00 0.00 H new ATOM 1195 N SER A 75 10.105 10.841 -2.137 1.00 0.00 N ATOM 1196 CA SER A 75 9.402 10.815 -3.449 1.00 0.00 C ATOM 1197 C SER A 75 8.102 10.021 -3.319 1.00 0.00 C ATOM 1198 O SER A 75 8.129 8.813 -3.187 1.00 0.00 O ATOM 1199 CB SER A 75 10.369 10.111 -4.400 1.00 0.00 C ATOM 1200 OG SER A 75 9.823 10.115 -5.712 1.00 0.00 O ATOM 0 H SER A 75 10.938 10.256 -2.076 1.00 0.00 H new ATOM 0 HA SER A 75 9.138 11.811 -3.805 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.335 10.616 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.542 9.087 -4.069 1.00 0.00 H new ATOM 0 HG SER A 75 10.441 9.665 -6.325 1.00 0.00 H new ATOM 1206 N PRO A 76 7.001 10.722 -3.356 1.00 0.00 N ATOM 1207 CA PRO A 76 5.687 10.057 -3.234 1.00 0.00 C ATOM 1208 C PRO A 76 5.596 8.906 -4.241 1.00 0.00 C ATOM 1209 O PRO A 76 5.541 9.117 -5.436 1.00 0.00 O ATOM 1210 CB PRO A 76 4.668 11.155 -3.556 1.00 0.00 C ATOM 1211 CG PRO A 76 5.460 12.350 -4.000 1.00 0.00 C ATOM 1212 CD PRO A 76 6.874 12.169 -3.518 1.00 0.00 C ATOM 0 HA PRO A 76 5.516 9.626 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.982 10.831 -4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.064 11.393 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.435 12.443 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.031 13.265 -3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.595 12.556 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.047 12.694 -2.579 1.00 0.00 H new ATOM 1220 N VAL A 77 5.598 7.693 -3.767 1.00 0.00 N ATOM 1221 CA VAL A 77 5.529 6.527 -4.700 1.00 0.00 C ATOM 1222 C VAL A 77 4.109 5.965 -4.801 1.00 0.00 C ATOM 1223 O VAL A 77 3.379 5.906 -3.833 1.00 0.00 O ATOM 1224 CB VAL A 77 6.454 5.479 -4.104 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.344 4.210 -4.941 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.894 5.986 -4.146 1.00 0.00 C ATOM 0 H VAL A 77 5.644 7.455 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 77 5.819 6.821 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 77 6.174 5.277 -3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.001 3.444 -4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.315 3.852 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.637 4.425 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.557 5.234 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.182 6.178 -5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.972 6.908 -3.570 1.00 0.00 H new ATOM 1236 N ASN A 78 3.728 5.529 -5.974 1.00 0.00 N ATOM 1237 CA ASN A 78 2.370 4.940 -6.162 1.00 0.00 C ATOM 1238 C ASN A 78 2.478 3.411 -6.110 1.00 0.00 C ATOM 1239 O ASN A 78 3.321 2.836 -6.771 1.00 0.00 O ATOM 1240 CB ASN A 78 1.938 5.389 -7.560 1.00 0.00 C ATOM 1241 CG ASN A 78 2.288 6.865 -7.763 1.00 0.00 C ATOM 1242 OD1 ASN A 78 1.466 7.733 -7.544 1.00 0.00 O ATOM 1243 ND2 ASN A 78 3.483 7.189 -8.176 1.00 0.00 N ATOM 0 H ASN A 78 4.304 5.556 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 78 1.660 5.254 -5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.434 4.781 -8.316 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.865 5.240 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.726 8.170 -8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.174 6.461 -8.360 1.00 0.00 H new ATOM 1250 N ILE A 79 1.661 2.725 -5.346 1.00 0.00 N ATOM 1251 CA ILE A 79 1.809 1.238 -5.326 1.00 0.00 C ATOM 1252 C ILE A 79 0.653 0.547 -6.038 1.00 0.00 C ATOM 1253 O ILE A 79 -0.484 0.579 -5.610 1.00 0.00 O ATOM 1254 CB ILE A 79 1.855 0.820 -3.863 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.981 1.580 -3.148 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.128 -0.684 -3.809 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.326 0.884 -1.830 1.00 0.00 C ATOM 0 H ILE A 79 0.925 3.113 -4.756 1.00 0.00 H new ATOM 0 HA ILE A 79 2.717 0.945 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 79 0.910 1.049 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.863 1.625 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.673 2.608 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.166 -1.010 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.331 -1.217 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.082 -0.898 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.126 1.429 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.445 0.862 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.654 -0.136 -2.032 1.00 0.00 H new ATOM 1269 N GLU A 80 0.968 -0.093 -7.119 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.055 -0.831 -7.907 1.00 0.00 C ATOM 1271 C GLU A 80 -0.256 -2.229 -7.311 1.00 0.00 C ATOM 1272 O GLU A 80 0.644 -3.043 -7.315 1.00 0.00 O ATOM 1273 CB GLU A 80 0.545 -0.924 -9.309 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.494 -0.488 -10.338 1.00 0.00 C ATOM 1275 CD GLU A 80 0.133 -0.498 -11.735 1.00 0.00 C ATOM 1276 OE1 GLU A 80 1.328 -0.272 -11.827 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -0.594 -0.732 -12.686 1.00 0.00 O ATOM 0 H GLU A 80 1.912 -0.139 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.029 -0.342 -7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.430 -0.292 -9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.866 -1.946 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.353 -1.158 -10.309 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.860 0.511 -10.100 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.421 -2.517 -6.795 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.648 -3.868 -6.199 1.00 0.00 C ATOM 1286 C ALA A 81 -3.022 -4.414 -6.591 1.00 0.00 C ATOM 1287 O ALA A 81 -3.945 -3.673 -6.860 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.555 -3.661 -4.684 1.00 0.00 C ATOM 0 H ALA A 81 -2.219 -1.883 -6.760 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.918 -4.595 -6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.712 -4.613 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.569 -3.272 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.318 -2.950 -4.366 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.157 -5.711 -6.636 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.462 -6.318 -7.019 1.00 0.00 C ATOM 1296 C GLU A 82 -5.217 -6.787 -5.771 1.00 0.00 C ATOM 1297 O GLU A 82 -4.921 -7.829 -5.220 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.084 -7.509 -7.896 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.317 -8.382 -8.140 1.00 0.00 C ATOM 1300 CD GLU A 82 -4.971 -9.487 -9.140 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -3.956 -10.135 -8.947 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.726 -9.665 -10.081 1.00 0.00 O ATOM 0 H GLU A 82 -2.416 -6.379 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.116 -5.615 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.680 -7.160 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.302 -8.095 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.657 -8.820 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.136 -7.774 -8.523 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.171 -5.993 -5.368 1.00 0.00 N ATOM 1310 CA PRO A 83 -6.983 -6.323 -4.170 1.00 0.00 C ATOM 1311 C PRO A 83 -7.954 -7.465 -4.482 1.00 0.00 C ATOM 1312 O PRO A 83 -8.618 -7.456 -5.499 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.748 -5.034 -3.889 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.804 -4.321 -5.203 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.578 -4.726 -5.982 1.00 0.00 C ATOM 0 HA PRO A 83 -6.380 -6.652 -3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.749 -5.244 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.242 -4.432 -3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.711 -4.587 -5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.826 -3.241 -5.054 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.801 -4.849 -7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.791 -3.975 -5.907 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.008 -8.412 -3.585 1.00 0.00 N ATOM 1324 CA PRO A 84 -8.915 -9.571 -3.763 1.00 0.00 C ATOM 1325 C PRO A 84 -10.345 -9.086 -4.017 1.00 0.00 C ATOM 1326 O PRO A 84 -10.575 -7.929 -4.305 1.00 0.00 O ATOM 1327 CB PRO A 84 -8.821 -10.321 -2.435 1.00 0.00 C ATOM 1328 CG PRO A 84 -7.544 -9.862 -1.802 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.239 -8.489 -2.340 1.00 0.00 C ATOM 0 HA PRO A 84 -8.646 -10.198 -4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.677 -10.098 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.814 -11.399 -2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.642 -9.835 -0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.733 -10.553 -2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.538 -7.711 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.172 -8.361 -2.522 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.202 -3.771 2.909 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.424 -2.638 3.486 1.00 0.00 C ATOM 1389 C TYR A 89 -5.960 -2.736 3.056 1.00 0.00 C ATOM 1390 O TYR A 89 -5.204 -3.531 3.576 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.537 -2.785 5.004 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.956 -3.142 5.382 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -10.022 -2.741 4.568 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.205 -3.874 6.550 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.336 -3.072 4.921 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.519 -4.204 6.903 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.584 -3.803 6.087 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.880 -4.129 6.436 1.00 0.00 O ATOM 0 HA TYR A 89 -7.803 -1.674 3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.853 -3.557 5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.245 -1.855 5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.831 -2.176 3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.383 -4.184 7.178 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.158 -2.763 4.293 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.711 -4.767 7.804 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.875 -4.639 7.273 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.549 -1.929 2.118 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.129 -1.978 1.670 1.00 0.00 C ATOM 1410 C ILE A 90 -3.239 -1.334 2.735 1.00 0.00 C ATOM 1411 O ILE A 90 -3.420 -0.188 3.095 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.092 -1.170 0.373 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.687 -2.007 -0.762 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.644 -0.811 0.035 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -6.077 -1.474 -1.116 1.00 0.00 C ATOM 0 H ILE A 90 -6.132 -1.240 1.644 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.769 -2.995 1.516 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.672 -0.256 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.037 -1.967 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.753 -3.053 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.618 -0.235 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.218 -0.218 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.062 -1.724 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.500 -2.070 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.724 -1.537 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.998 -0.435 -1.435 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.285 -2.060 3.253 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.402 -1.475 4.299 1.00 0.00 C ATOM 1429 C ILE A 91 -0.076 -1.032 3.681 1.00 0.00 C ATOM 1430 O ILE A 91 0.403 -1.612 2.728 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.180 -2.594 5.315 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.469 -2.825 6.109 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.056 -2.195 6.271 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -3.081 -4.177 5.725 1.00 0.00 C ATOM 0 H ILE A 91 -2.081 -3.026 2.998 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.844 -0.594 4.765 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.906 -3.511 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.257 -2.802 7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.180 -2.023 5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.104 -2.992 6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.861 -2.030 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.331 -1.278 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.998 -4.336 6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.309 -4.184 4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.372 -4.974 5.950 1.00 0.00 H new ATOM 1446 N ILE A 92 0.513 0.000 4.215 1.00 0.00 N ATOM 1447 CA ILE A 92 1.803 0.496 3.659 1.00 0.00 C ATOM 1448 C ILE A 92 2.790 0.766 4.795 1.00 0.00 C ATOM 1449 O ILE A 92 2.411 1.186 5.868 1.00 0.00 O ATOM 1450 CB ILE A 92 1.424 1.796 2.937 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.137 1.492 1.469 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.561 2.820 3.030 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.270 2.606 0.889 1.00 0.00 C ATOM 0 H ILE A 92 0.156 0.523 5.015 1.00 0.00 H new ATOM 0 HA ILE A 92 2.286 -0.218 2.992 1.00 0.00 H new ATOM 0 HB ILE A 92 0.538 2.215 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.070 1.413 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.628 0.532 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.271 3.734 2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.763 3.045 4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.459 2.410 2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.061 2.396 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.668 2.662 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.797 3.557 0.970 1.00 0.00 H new ATOM 1465 N GLY A 93 4.054 0.537 4.575 1.00 0.00 N ATOM 1466 CA GLY A 93 5.031 0.800 5.656 1.00 0.00 C ATOM 1467 C GLY A 93 5.009 -0.370 6.631 1.00 0.00 C ATOM 1468 O GLY A 93 4.552 -1.450 6.314 1.00 0.00 O ATOM 0 H GLY A 93 4.446 0.183 3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.030 0.926 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.782 1.727 6.173 1.00 0.00 H new ATOM 1472 N VAL A 94 5.497 -0.166 7.810 1.00 0.00 N ATOM 1473 CA VAL A 94 5.506 -1.270 8.805 1.00 0.00 C ATOM 1474 C VAL A 94 4.745 -0.852 10.056 1.00 0.00 C ATOM 1475 O VAL A 94 4.695 0.315 10.390 1.00 0.00 O ATOM 1476 CB VAL A 94 6.984 -1.528 9.123 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.486 -2.656 8.221 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.816 -0.265 8.859 1.00 0.00 C ATOM 0 H VAL A 94 5.892 0.717 8.134 1.00 0.00 H new ATOM 0 HA VAL A 94 5.021 -2.169 8.424 1.00 0.00 H new ATOM 0 HB VAL A 94 7.085 -1.802 10.173 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.537 -2.852 8.434 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.903 -3.558 8.408 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.377 -2.363 7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.863 -0.464 9.089 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.723 0.020 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.454 0.547 9.489 1.00 0.00 H new ATOM 1488 N GLU A 95 4.153 -1.808 10.737 1.00 0.00 N ATOM 1489 CA GLU A 95 3.373 -1.519 11.985 1.00 0.00 C ATOM 1490 C GLU A 95 3.773 -0.176 12.603 1.00 0.00 C ATOM 1491 O GLU A 95 2.938 0.684 12.788 1.00 0.00 O ATOM 1492 CB GLU A 95 3.718 -2.665 12.935 1.00 0.00 C ATOM 1493 CG GLU A 95 2.628 -3.737 12.860 1.00 0.00 C ATOM 1494 CD GLU A 95 3.148 -5.038 13.474 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.057 -5.177 14.682 1.00 0.00 O ATOM 1496 OE2 GLU A 95 3.629 -5.872 12.725 1.00 0.00 O ATOM 0 H GLU A 95 4.179 -2.793 10.475 1.00 0.00 H new ATOM 0 HA GLU A 95 2.305 -1.449 11.780 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.684 -3.094 12.668 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.806 -2.292 13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.737 -3.402 13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.337 -3.903 11.823 1.00 0.00 H new ATOM 1503 N PRO A 96 5.042 -0.042 12.898 1.00 0.00 N ATOM 1504 CA PRO A 96 5.568 1.216 13.495 1.00 0.00 C ATOM 1505 C PRO A 96 5.217 2.449 12.642 1.00 0.00 C ATOM 1506 O PRO A 96 6.082 3.076 12.064 1.00 0.00 O ATOM 1507 CB PRO A 96 7.088 1.004 13.521 1.00 0.00 C ATOM 1508 CG PRO A 96 7.346 -0.197 12.670 1.00 0.00 C ATOM 1509 CD PRO A 96 6.107 -1.037 12.727 1.00 0.00 C ATOM 0 HA PRO A 96 5.139 1.407 14.479 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.611 1.878 13.133 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.443 0.846 14.539 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.568 0.096 11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.208 -0.754 13.037 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.972 -1.620 11.816 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.136 -1.744 13.556 1.00 0.00 H new ATOM 1517 N GLY A 97 3.963 2.818 12.580 1.00 0.00 N ATOM 1518 CA GLY A 97 3.576 4.027 11.790 1.00 0.00 C ATOM 1519 C GLY A 97 3.148 3.642 10.370 1.00 0.00 C ATOM 1520 O GLY A 97 2.909 4.493 9.538 1.00 0.00 O ATOM 0 H GLY A 97 3.191 2.336 13.041 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.760 4.547 12.291 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.416 4.720 11.745 1.00 0.00 H new ATOM 1524 N GLN A 98 3.046 2.375 10.081 1.00 0.00 N ATOM 1525 CA GLN A 98 2.628 1.955 8.711 1.00 0.00 C ATOM 1526 C GLN A 98 1.279 2.604 8.350 1.00 0.00 C ATOM 1527 O GLN A 98 0.552 3.060 9.210 1.00 0.00 O ATOM 1528 CB GLN A 98 2.539 0.419 8.804 1.00 0.00 C ATOM 1529 CG GLN A 98 1.173 -0.102 8.331 1.00 0.00 C ATOM 1530 CD GLN A 98 1.001 -1.553 8.782 1.00 0.00 C ATOM 1531 OE1 GLN A 98 1.882 -2.445 8.419 1.00 0.00 O flip ATOM 1532 NE2 GLN A 98 0.056 -1.879 9.472 1.00 0.00 N flip ATOM 0 H GLN A 98 3.233 1.612 10.732 1.00 0.00 H new ATOM 0 HA GLN A 98 3.318 2.265 7.926 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.328 -0.028 8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.711 0.106 9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.374 0.515 8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.102 -0.036 7.245 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.633 -1.182 9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.049 -2.850 9.768 1.00 0.00 H new ATOM 1541 N LEU A 99 0.946 2.650 7.086 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.349 3.274 6.678 1.00 0.00 C ATOM 1543 C LEU A 99 -1.420 2.204 6.431 1.00 0.00 C ATOM 1544 O LEU A 99 -1.165 1.019 6.520 1.00 0.00 O ATOM 1545 CB LEU A 99 -0.032 4.017 5.381 1.00 0.00 C ATOM 1546 CG LEU A 99 0.413 5.441 5.704 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.871 6.134 4.421 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.759 6.217 6.310 1.00 0.00 C ATOM 0 H LEU A 99 1.512 2.284 6.321 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.743 3.934 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.753 3.495 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.911 4.037 4.737 1.00 0.00 H new ATOM 0 HG LEU A 99 1.237 5.411 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.189 7.151 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.705 5.582 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.046 6.164 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.442 7.234 6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.583 6.247 5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.088 5.723 7.224 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.618 2.625 6.117 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.724 1.653 5.860 1.00 0.00 C ATOM 1562 C LYS A 100 -4.776 2.288 4.945 1.00 0.00 C ATOM 1563 O LYS A 100 -5.123 3.443 5.094 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.322 1.365 7.233 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.311 -0.144 7.490 1.00 0.00 C ATOM 1566 CD LYS A 100 -5.162 -0.457 8.722 1.00 0.00 C ATOM 1567 CE LYS A 100 -6.538 0.198 8.573 1.00 0.00 C ATOM 1568 NZ LYS A 100 -7.361 -0.381 9.671 1.00 0.00 N ATOM 0 H LYS A 100 -2.880 3.607 6.027 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.373 0.746 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.751 1.880 8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.342 1.746 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.701 -0.675 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.289 -0.490 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.271 -1.535 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.668 -0.089 9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.470 1.282 8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.974 -0.017 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.320 0.020 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.413 -1.414 9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.925 -0.154 10.588 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.284 1.548 3.999 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.312 2.118 3.078 1.00 0.00 C ATOM 1584 C LEU A 101 -7.359 1.057 2.726 1.00 0.00 C ATOM 1585 O LEU A 101 -7.036 -0.010 2.247 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.534 2.539 1.833 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.490 3.587 2.215 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.157 2.898 2.509 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.308 4.570 1.057 1.00 0.00 C ATOM 0 H LEU A 101 -5.034 0.575 3.822 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.850 2.954 3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.048 1.673 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.215 2.945 1.085 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.825 4.125 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.413 3.646 2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.284 2.196 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.822 2.360 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.563 5.318 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.974 4.030 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.257 5.063 0.845 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.611 1.345 2.962 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.678 0.352 2.644 1.00 0.00 C ATOM 1603 C ASN A 102 -10.221 0.579 1.231 1.00 0.00 C ATOM 1604 O ASN A 102 -10.566 1.683 0.857 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.771 0.600 3.684 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.174 2.076 3.657 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -10.431 2.928 4.099 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -12.328 2.415 3.153 1.00 0.00 N ATOM 0 H ASN A 102 -8.941 2.224 3.361 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.306 -0.672 2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.637 -0.028 3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.412 0.328 4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.606 3.396 3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.952 1.699 2.782 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.303 -0.460 0.444 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.828 -0.305 -0.943 1.00 0.00 C ATOM 1617 C TRP A 103 -11.980 -1.287 -1.180 1.00 0.00 C ATOM 1618 O TRP A 103 -12.016 -2.363 -0.619 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.647 -0.634 -1.855 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.896 -0.068 -3.216 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.155 -0.798 -4.324 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -9.915 1.329 -3.631 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.332 0.061 -5.395 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.194 1.383 -5.018 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -9.719 2.542 -2.947 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.277 2.596 -5.701 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -9.801 3.766 -3.632 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.079 3.793 -5.006 1.00 0.00 C ATOM 0 H TRP A 103 -10.029 -1.408 0.701 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.217 0.696 -1.129 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.727 -0.221 -1.440 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.512 -1.714 -1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.214 -1.876 -4.367 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.539 -0.245 -6.346 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.504 2.533 -1.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.493 2.611 -6.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -9.649 4.692 -3.097 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.140 4.737 -5.527 1.00 0.00 H new