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 46 THR OG1 : rot -61:sc= 1.68 USER MOD Set 1.2: A 48 THR OG1 : rot -72:sc= 1.23 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.246 (180deg=-1) USER MOD Single : A 27 HIS : no HD1:sc= -7.33! C(o=-7.3!,f=-11!) USER MOD Single : A 28 HIS : no HD1:sc= 0.22 K(o=0.22,f=-4.3!) USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00521) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.317 F(o=-4.3!,f=-0.32) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.101) USER MOD Single : A 40 GLN : amide:sc= -0.0483 K(o=-0.048,f=-0.82) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0483) USER MOD Single : A 51 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.673 K(o=0.67,f=-3.7!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -151:sc= -0.563 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.558 USER MOD Single : A 68 LYS NZ :NH3+ -125:sc= -0.142 (180deg=-0.596) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.2 K(o=-0.2,f=-0.83) USER MOD Single : A 82 SER OG : rot 78:sc= 1.31 USER MOD Single : A 85 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.323 -7.355 -3.343 1.00 0.00 N ATOM 215 CA ALA A 17 11.058 -7.571 -4.034 1.00 0.00 C ATOM 216 C ALA A 17 10.260 -6.276 -4.137 1.00 0.00 C ATOM 217 O ALA A 17 10.423 -5.369 -3.320 1.00 0.00 O ATOM 218 CB ALA A 17 10.244 -8.641 -3.322 1.00 0.00 C ATOM 0 HA ALA A 17 11.278 -7.911 -5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.302 -8.792 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.805 -9.575 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.041 -8.323 -2.299 1.00 0.00 H new ATOM 224 N SER A 18 9.397 -6.196 -5.144 1.00 0.00 N ATOM 225 CA SER A 18 8.576 -5.010 -5.356 1.00 0.00 C ATOM 226 C SER A 18 7.221 -5.385 -5.950 1.00 0.00 C ATOM 227 O SER A 18 7.146 -5.983 -7.023 1.00 0.00 O ATOM 228 CB SER A 18 9.295 -4.024 -6.278 1.00 0.00 C ATOM 229 OG SER A 18 10.020 -4.705 -7.287 1.00 0.00 O ATOM 0 H SER A 18 9.248 -6.939 -5.827 1.00 0.00 H new ATOM 0 HA SER A 18 8.410 -4.536 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.568 -3.354 -6.737 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.974 -3.404 -5.693 1.00 0.00 H new ATOM 0 HG SER A 18 10.469 -4.053 -7.864 1.00 0.00 H new ATOM 235 N ALA A 19 6.153 -5.029 -5.244 1.00 0.00 N ATOM 236 CA ALA A 19 4.802 -5.326 -5.701 1.00 0.00 C ATOM 237 C ALA A 19 4.018 -4.045 -5.967 1.00 0.00 C ATOM 238 O ALA A 19 4.508 -2.943 -5.721 1.00 0.00 O ATOM 239 CB ALA A 19 4.076 -6.188 -4.679 1.00 0.00 C ATOM 0 H ALA A 19 6.198 -4.534 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 19 4.876 -5.877 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.068 -6.402 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.618 -7.123 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.021 -5.657 -3.729 1.00 0.00 H new ATOM 245 N THR A 20 2.799 -4.197 -6.473 1.00 0.00 N ATOM 246 CA THR A 20 1.948 -3.052 -6.775 1.00 0.00 C ATOM 247 C THR A 20 0.502 -3.320 -6.370 1.00 0.00 C ATOM 248 O THR A 20 0.060 -4.468 -6.334 1.00 0.00 O ATOM 249 CB THR A 20 1.994 -2.699 -8.273 1.00 0.00 C ATOM 250 OG1 THR A 20 2.102 -3.893 -9.055 1.00 0.00 O ATOM 251 CG2 THR A 20 3.165 -1.778 -8.577 1.00 0.00 C ATOM 0 H THR A 20 2.378 -5.102 -6.683 1.00 0.00 H new ATOM 0 HA THR A 20 2.333 -2.210 -6.199 1.00 0.00 H new ATOM 0 HB THR A 20 1.070 -2.181 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.129 -3.660 -10.006 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.176 -1.543 -9.641 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.062 -0.857 -8.003 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.097 -2.273 -8.305 1.00 0.00 H new ATOM 259 N VAL A 21 -0.229 -2.252 -6.068 1.00 0.00 N ATOM 260 CA VAL A 21 -1.626 -2.372 -5.668 1.00 0.00 C ATOM 261 C VAL A 21 -2.522 -1.489 -6.529 1.00 0.00 C ATOM 262 O VAL A 21 -2.472 -0.263 -6.440 1.00 0.00 O ATOM 263 CB VAL A 21 -1.820 -1.992 -4.188 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.224 -0.621 -3.905 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.295 -2.027 -3.818 1.00 0.00 C ATOM 0 H VAL A 21 0.122 -1.295 -6.093 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.907 -3.416 -5.808 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.296 -2.723 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.371 -0.370 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.157 -0.635 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.716 0.125 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.413 -1.756 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.843 -1.319 -4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.687 -3.031 -3.980 1.00 0.00 H new ATOM 275 N ALA A 22 -3.341 -2.122 -7.363 1.00 0.00 N ATOM 276 CA ALA A 22 -4.250 -1.395 -8.240 1.00 0.00 C ATOM 277 C ALA A 22 -5.375 -0.741 -7.444 1.00 0.00 C ATOM 278 O ALA A 22 -6.227 -1.427 -6.877 1.00 0.00 O ATOM 279 CB ALA A 22 -4.823 -2.327 -9.298 1.00 0.00 C ATOM 0 H ALA A 22 -3.393 -3.137 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.683 -0.606 -8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.500 -1.770 -9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.011 -2.743 -9.894 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.369 -3.136 -8.813 1.00 0.00 H new ATOM 285 N ILE A 23 -5.371 0.587 -7.404 1.00 0.00 N ATOM 286 CA ILE A 23 -6.392 1.332 -6.677 1.00 0.00 C ATOM 287 C ILE A 23 -6.705 2.654 -7.369 1.00 0.00 C ATOM 288 O ILE A 23 -5.893 3.199 -8.117 1.00 0.00 O ATOM 289 CB ILE A 23 -5.957 1.614 -5.228 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.479 2.008 -5.182 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.214 0.397 -4.351 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.978 2.318 -3.789 1.00 0.00 C ATOM 0 H ILE A 23 -4.673 1.169 -7.866 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.288 0.711 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.547 2.446 -4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.882 1.198 -5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.324 2.880 -5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.901 0.612 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.278 0.159 -4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.648 -0.453 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.923 2.589 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.549 3.148 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.100 1.440 -3.155 1.00 0.00 H new ATOM 304 N PRO A 24 -7.909 3.185 -7.114 1.00 0.00 N ATOM 305 CA PRO A 24 -8.357 4.452 -7.701 1.00 0.00 C ATOM 306 C PRO A 24 -7.601 5.650 -7.137 1.00 0.00 C ATOM 307 O PRO A 24 -7.319 5.714 -5.941 1.00 0.00 O ATOM 308 CB PRO A 24 -9.836 4.521 -7.310 1.00 0.00 C ATOM 309 CG PRO A 24 -9.941 3.691 -6.078 1.00 0.00 C ATOM 310 CD PRO A 24 -8.928 2.590 -6.232 1.00 0.00 C ATOM 0 HA PRO A 24 -8.184 4.487 -8.777 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.149 5.548 -7.123 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.474 4.133 -8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.738 4.286 -5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.946 3.284 -5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.505 2.295 -5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.369 1.697 -6.674 1.00 0.00 H new ATOM 318 N LYS A 25 -7.275 6.601 -8.007 1.00 0.00 N ATOM 319 CA LYS A 25 -6.553 7.799 -7.598 1.00 0.00 C ATOM 320 C LYS A 25 -7.265 8.495 -6.442 1.00 0.00 C ATOM 321 O LYS A 25 -6.686 9.344 -5.766 1.00 0.00 O ATOM 322 CB LYS A 25 -6.413 8.764 -8.778 1.00 0.00 C ATOM 323 CG LYS A 25 -5.622 8.190 -9.941 1.00 0.00 C ATOM 324 CD LYS A 25 -4.925 9.282 -10.735 1.00 0.00 C ATOM 325 CE LYS A 25 -4.747 8.885 -12.192 1.00 0.00 C ATOM 326 NZ LYS A 25 -6.050 8.590 -12.850 1.00 0.00 N ATOM 0 H LYS A 25 -7.500 6.564 -9.001 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.561 7.497 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.407 9.044 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.927 9.677 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.882 7.484 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.291 7.632 -10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.505 10.203 -10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.951 9.490 -10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.243 9.689 -12.728 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.103 8.008 -12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.988 8.820 -13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.275 7.581 -12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.798 9.163 -12.410 1.00 0.00 H new ATOM 340 N GLU A 26 -8.523 8.126 -6.219 1.00 0.00 N ATOM 341 CA GLU A 26 -9.312 8.715 -5.144 1.00 0.00 C ATOM 342 C GLU A 26 -8.898 8.145 -3.790 1.00 0.00 C ATOM 343 O GLU A 26 -8.993 8.819 -2.764 1.00 0.00 O ATOM 344 CB GLU A 26 -10.803 8.466 -5.379 1.00 0.00 C ATOM 345 CG GLU A 26 -11.291 7.135 -4.834 1.00 0.00 C ATOM 346 CD GLU A 26 -12.460 6.575 -5.621 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.413 6.626 -6.868 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.420 6.085 -4.992 1.00 0.00 O ATOM 0 H GLU A 26 -9.017 7.422 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.127 9.789 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.374 9.270 -4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.005 8.507 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.471 6.418 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.586 7.260 -3.792 1.00 0.00 H new ATOM 355 N HIS A 27 -8.438 6.898 -3.795 1.00 0.00 N ATOM 356 CA HIS A 27 -8.008 6.237 -2.569 1.00 0.00 C ATOM 357 C HIS A 27 -6.542 6.537 -2.272 1.00 0.00 C ATOM 358 O HIS A 27 -6.064 6.314 -1.161 1.00 0.00 O ATOM 359 CB HIS A 27 -8.219 4.726 -2.677 1.00 0.00 C ATOM 360 CG HIS A 27 -9.661 4.321 -2.688 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.091 3.078 -3.101 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.775 5.003 -2.331 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.407 3.014 -2.999 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.846 4.169 -2.533 1.00 0.00 N ATOM 0 H HIS A 27 -8.354 6.325 -4.635 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.612 6.624 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.742 4.365 -3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.719 4.237 -1.841 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.814 6.015 -1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.020 2.162 -3.254 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.822 4.403 -2.353 1.00 0.00 H new ATOM 372 N HIS A 28 -5.833 7.044 -3.277 1.00 0.00 N ATOM 373 CA HIS A 28 -4.420 7.375 -3.124 1.00 0.00 C ATOM 374 C HIS A 28 -4.215 8.366 -1.983 1.00 0.00 C ATOM 375 O HIS A 28 -3.268 8.246 -1.206 1.00 0.00 O ATOM 376 CB HIS A 28 -3.868 7.957 -4.425 1.00 0.00 C ATOM 377 CG HIS A 28 -3.538 6.919 -5.453 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.805 7.191 -6.589 1.00 0.00 N ATOM 379 CD2 HIS A 28 -3.844 5.602 -5.511 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.676 6.086 -7.302 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.298 5.107 -6.669 1.00 0.00 N ATOM 0 H HIS A 28 -6.213 7.234 -4.204 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.881 6.458 -2.887 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.599 8.650 -4.842 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.971 8.535 -4.203 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.412 5.044 -4.782 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.152 5.998 -8.242 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.362 4.141 -6.989 1.00 0.00 H new ATOM 389 N ARG A 29 -5.109 9.345 -1.888 1.00 0.00 N ATOM 390 CA ARG A 29 -5.025 10.358 -0.841 1.00 0.00 C ATOM 391 C ARG A 29 -5.186 9.729 0.539 1.00 0.00 C ATOM 392 O ARG A 29 -4.540 10.143 1.502 1.00 0.00 O ATOM 393 CB ARG A 29 -6.094 11.431 -1.053 1.00 0.00 C ATOM 394 CG ARG A 29 -7.506 10.948 -0.766 1.00 0.00 C ATOM 395 CD ARG A 29 -8.546 11.872 -1.381 1.00 0.00 C ATOM 396 NE ARG A 29 -8.695 13.110 -0.622 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.777 13.880 -0.675 1.00 0.00 C ATOM 398 NH1 ARG A 29 -10.799 13.538 -1.448 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.838 14.992 0.045 1.00 0.00 N ATOM 0 H ARG A 29 -5.899 9.459 -2.523 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.040 10.821 -0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.873 12.284 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.042 11.785 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.634 9.940 -1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.660 10.891 0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.261 12.108 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.506 11.358 -1.427 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.926 13.400 -0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.755 12.683 -2.003 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.629 14.130 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.054 15.258 0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.669 15.582 0.003 1.00 0.00 H new ATOM 413 N PHE A 30 -6.054 8.726 0.628 1.00 0.00 N ATOM 414 CA PHE A 30 -6.303 8.041 1.892 1.00 0.00 C ATOM 415 C PHE A 30 -5.039 7.346 2.392 1.00 0.00 C ATOM 416 O PHE A 30 -4.932 7.000 3.567 1.00 0.00 O ATOM 417 CB PHE A 30 -7.429 7.018 1.728 1.00 0.00 C ATOM 418 CG PHE A 30 -8.798 7.591 1.961 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.318 7.679 3.242 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.564 8.043 0.899 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.577 8.207 3.459 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.823 8.571 1.110 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.331 8.653 2.392 1.00 0.00 C ATOM 0 H PHE A 30 -6.596 8.370 -0.159 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.602 8.787 2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.385 6.600 0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.265 6.195 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.733 7.331 4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.172 7.982 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.971 8.271 4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.410 8.920 0.273 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.315 9.065 2.559 1.00 0.00 H new ATOM 433 N VAL A 31 -4.085 7.147 1.488 1.00 0.00 N ATOM 434 CA VAL A 31 -2.827 6.495 1.837 1.00 0.00 C ATOM 435 C VAL A 31 -1.765 7.519 2.219 1.00 0.00 C ATOM 436 O VAL A 31 -0.756 7.179 2.839 1.00 0.00 O ATOM 437 CB VAL A 31 -2.300 5.635 0.672 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.095 4.819 1.114 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.400 4.730 0.138 1.00 0.00 C ATOM 0 H VAL A 31 -4.158 7.427 0.510 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.030 5.851 2.692 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.984 6.299 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.736 4.218 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.302 5.490 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.381 4.163 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.010 4.130 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.748 4.072 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.231 5.339 -0.219 1.00 0.00 H new ATOM 449 N ILE A 32 -1.999 8.773 1.848 1.00 0.00 N ATOM 450 CA ILE A 32 -1.062 9.847 2.154 1.00 0.00 C ATOM 451 C ILE A 32 -1.459 10.574 3.435 1.00 0.00 C ATOM 452 O ILE A 32 -0.605 11.058 4.177 1.00 0.00 O ATOM 453 CB ILE A 32 -0.978 10.866 1.003 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.751 10.146 -0.329 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.134 11.870 1.265 1.00 0.00 C ATOM 456 CD1 ILE A 32 -1.050 11.005 -1.538 1.00 0.00 C ATOM 0 H ILE A 32 -2.829 9.070 1.335 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.085 9.384 2.290 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.923 11.407 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.285 9.810 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.378 9.255 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.181 12.584 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.067 12.401 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.086 11.346 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.867 10.431 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.093 11.320 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.405 11.884 -1.528 1.00 0.00 H new ATOM 468 N GLY A 33 -2.763 10.647 3.687 1.00 0.00 N ATOM 469 CA GLY A 33 -3.251 11.316 4.879 1.00 0.00 C ATOM 470 C GLY A 33 -3.849 12.676 4.577 1.00 0.00 C ATOM 471 O GLY A 33 -3.703 13.195 3.470 1.00 0.00 O ATOM 0 H GLY A 33 -3.489 10.255 3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.003 10.691 5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.431 11.432 5.588 1.00 0.00 H new ATOM 475 N LYS A 34 -4.525 13.255 5.563 1.00 0.00 N ATOM 476 CA LYS A 34 -5.148 14.562 5.399 1.00 0.00 C ATOM 477 C LYS A 34 -4.095 15.665 5.347 1.00 0.00 C ATOM 478 O LYS A 34 -4.259 16.660 4.644 1.00 0.00 O ATOM 479 CB LYS A 34 -6.126 14.831 6.545 1.00 0.00 C ATOM 480 CG LYS A 34 -6.646 16.259 6.579 1.00 0.00 C ATOM 481 CD LYS A 34 -8.008 16.342 7.247 1.00 0.00 C ATOM 482 CE LYS A 34 -9.125 15.986 6.278 1.00 0.00 C ATOM 483 NZ LYS A 34 -9.436 17.109 5.352 1.00 0.00 N ATOM 0 H LYS A 34 -4.655 12.839 6.485 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.694 14.560 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.971 14.148 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.633 14.610 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.938 16.892 7.114 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.714 16.646 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.037 15.667 8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.165 17.350 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.838 15.108 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.021 15.719 6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.236 16.845 4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.686 17.955 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.604 17.313 4.762 1.00 0.00 H new ATOM 497 N ASN A 35 -3.013 15.478 6.096 1.00 0.00 N ATOM 498 CA ASN A 35 -1.932 16.456 6.135 1.00 0.00 C ATOM 499 C ASN A 35 -0.679 15.910 5.458 1.00 0.00 C ATOM 500 O ASN A 35 0.280 16.642 5.217 1.00 0.00 O ATOM 501 CB ASN A 35 -1.617 16.843 7.581 1.00 0.00 C ATOM 502 CG ASN A 35 -2.568 17.894 8.119 1.00 0.00 C ATOM 503 OD1 ASN A 35 -3.825 17.825 7.697 1.00 0.00 O flip ATOM 504 ND2 ASN A 35 -2.177 18.755 8.906 1.00 0.00 N flip ATOM 0 H ASN A 35 -2.862 14.658 6.684 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.259 17.343 5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.667 15.955 8.211 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.595 17.218 7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.201 18.769 9.203 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.829 19.455 9.262 1.00 0.00 H new ATOM 511 N GLY A 36 -0.694 14.615 5.153 1.00 0.00 N ATOM 512 CA GLY A 36 0.445 13.991 4.506 1.00 0.00 C ATOM 513 C GLY A 36 1.324 13.236 5.483 1.00 0.00 C ATOM 514 O GLY A 36 2.550 13.332 5.427 1.00 0.00 O ATOM 0 H GLY A 36 -1.475 13.987 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.091 13.306 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.038 14.756 4.004 1.00 0.00 H new ATOM 518 N GLU A 37 0.697 12.484 6.381 1.00 0.00 N ATOM 519 CA GLU A 37 1.431 11.710 7.376 1.00 0.00 C ATOM 520 C GLU A 37 1.131 10.220 7.238 1.00 0.00 C ATOM 521 O GLU A 37 1.857 9.377 7.764 1.00 0.00 O ATOM 522 CB GLU A 37 1.075 12.184 8.787 1.00 0.00 C ATOM 523 CG GLU A 37 -0.414 12.138 9.087 1.00 0.00 C ATOM 524 CD GLU A 37 -0.713 12.233 10.570 1.00 0.00 C ATOM 525 OE1 GLU A 37 -0.625 11.196 11.261 1.00 0.00 O ATOM 526 OE2 GLU A 37 -1.034 13.344 11.041 1.00 0.00 O ATOM 0 H GLU A 37 -0.317 12.394 6.441 1.00 0.00 H new ATOM 0 HA GLU A 37 2.496 11.865 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.603 11.565 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.432 13.205 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.911 12.957 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.831 11.211 8.695 1.00 0.00 H new ATOM 533 N LYS A 38 0.055 9.903 6.526 1.00 0.00 N ATOM 534 CA LYS A 38 -0.343 8.516 6.317 1.00 0.00 C ATOM 535 C LYS A 38 0.708 7.765 5.506 1.00 0.00 C ATOM 536 O LYS A 38 1.062 6.631 5.828 1.00 0.00 O ATOM 537 CB LYS A 38 -1.695 8.454 5.600 1.00 0.00 C ATOM 538 CG LYS A 38 -2.510 7.220 5.945 1.00 0.00 C ATOM 539 CD LYS A 38 -1.701 5.947 5.754 1.00 0.00 C ATOM 540 CE LYS A 38 -2.569 4.708 5.911 1.00 0.00 C ATOM 541 NZ LYS A 38 -2.665 4.274 7.332 1.00 0.00 N ATOM 0 H LYS A 38 -0.557 10.588 6.084 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.433 8.039 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.272 9.343 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.527 8.479 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.850 7.285 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.401 7.184 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.244 5.950 4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.889 5.918 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.568 4.913 5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.156 3.897 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.528 3.708 7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.833 3.700 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.701 5.111 7.949 1.00 0.00 H new ATOM 555 N LEU A 39 1.205 8.405 4.453 1.00 0.00 N ATOM 556 CA LEU A 39 2.219 7.798 3.597 1.00 0.00 C ATOM 557 C LEU A 39 3.564 7.723 4.313 1.00 0.00 C ATOM 558 O LEU A 39 4.227 6.687 4.300 1.00 0.00 O ATOM 559 CB LEU A 39 2.363 8.595 2.299 1.00 0.00 C ATOM 560 CG LEU A 39 3.718 8.497 1.598 1.00 0.00 C ATOM 561 CD1 LEU A 39 3.875 7.141 0.928 1.00 0.00 C ATOM 562 CD2 LEU A 39 3.874 9.618 0.581 1.00 0.00 C ATOM 0 H LEU A 39 0.923 9.344 4.171 1.00 0.00 H new ATOM 0 HA LEU A 39 1.898 6.784 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.592 8.262 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.164 9.644 2.517 1.00 0.00 H new ATOM 0 HG LEU A 39 4.502 8.602 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.845 7.089 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.808 6.354 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.084 7.006 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.844 9.533 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.083 9.545 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.806 10.581 1.088 1.00 0.00 H new ATOM 574 N GLN A 40 3.957 8.828 4.938 1.00 0.00 N ATOM 575 CA GLN A 40 5.222 8.887 5.660 1.00 0.00 C ATOM 576 C GLN A 40 5.252 7.862 6.789 1.00 0.00 C ATOM 577 O GLN A 40 6.232 7.134 6.953 1.00 0.00 O ATOM 578 CB GLN A 40 5.447 10.291 6.225 1.00 0.00 C ATOM 579 CG GLN A 40 4.881 10.481 7.623 1.00 0.00 C ATOM 580 CD GLN A 40 5.221 11.837 8.211 1.00 0.00 C ATOM 581 OE1 GLN A 40 4.723 12.866 7.754 1.00 0.00 O ATOM 582 NE2 GLN A 40 6.072 11.845 9.229 1.00 0.00 N ATOM 0 H GLN A 40 3.418 9.694 4.959 1.00 0.00 H new ATOM 0 HA GLN A 40 6.023 8.653 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.517 10.499 6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.992 11.021 5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.798 10.364 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.267 9.699 8.277 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.461 10.968 9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.338 12.728 9.665 1.00 0.00 H new ATOM 591 N ASP A 41 4.174 7.809 7.563 1.00 0.00 N ATOM 592 CA ASP A 41 4.077 6.871 8.675 1.00 0.00 C ATOM 593 C ASP A 41 4.143 5.430 8.180 1.00 0.00 C ATOM 594 O ASP A 41 4.757 4.571 8.814 1.00 0.00 O ATOM 595 CB ASP A 41 2.778 7.099 9.449 1.00 0.00 C ATOM 596 CG ASP A 41 2.845 6.560 10.866 1.00 0.00 C ATOM 597 OD1 ASP A 41 2.678 5.336 11.044 1.00 0.00 O ATOM 598 OD2 ASP A 41 3.064 7.365 11.796 1.00 0.00 O ATOM 0 H ASP A 41 3.355 8.405 7.441 1.00 0.00 H new ATOM 0 HA ASP A 41 4.923 7.045 9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.559 8.166 9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.954 6.620 8.920 1.00 0.00 H new ATOM 603 N LEU A 42 3.505 5.171 7.043 1.00 0.00 N ATOM 604 CA LEU A 42 3.491 3.834 6.462 1.00 0.00 C ATOM 605 C LEU A 42 4.893 3.408 6.038 1.00 0.00 C ATOM 606 O LEU A 42 5.393 2.371 6.469 1.00 0.00 O ATOM 607 CB LEU A 42 2.546 3.789 5.259 1.00 0.00 C ATOM 608 CG LEU A 42 1.093 3.422 5.560 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.272 3.399 4.280 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.018 2.076 6.267 1.00 0.00 C ATOM 0 H LEU A 42 2.991 5.870 6.506 1.00 0.00 H new ATOM 0 HA LEU A 42 3.135 3.139 7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.560 4.765 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.940 3.071 4.540 1.00 0.00 H new ATOM 0 HG LEU A 42 0.677 4.182 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.760 3.136 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.298 4.384 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.688 2.661 3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.024 1.831 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.453 1.306 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.572 2.126 7.205 1.00 0.00 H new ATOM 622 N GLU A 43 5.520 4.219 5.191 1.00 0.00 N ATOM 623 CA GLU A 43 6.866 3.926 4.710 1.00 0.00 C ATOM 624 C GLU A 43 7.814 3.656 5.876 1.00 0.00 C ATOM 625 O GLU A 43 8.885 3.075 5.699 1.00 0.00 O ATOM 626 CB GLU A 43 7.395 5.090 3.869 1.00 0.00 C ATOM 627 CG GLU A 43 6.808 5.143 2.469 1.00 0.00 C ATOM 628 CD GLU A 43 7.174 6.418 1.732 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.265 7.477 2.387 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.369 6.355 0.500 1.00 0.00 O ATOM 0 H GLU A 43 5.119 5.082 4.824 1.00 0.00 H new ATOM 0 HA GLU A 43 6.816 3.031 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.176 6.027 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.480 5.012 3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.160 4.284 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.723 5.062 2.530 1.00 0.00 H new ATOM 637 N LEU A 44 7.411 4.081 7.068 1.00 0.00 N ATOM 638 CA LEU A 44 8.224 3.886 8.265 1.00 0.00 C ATOM 639 C LEU A 44 7.831 2.600 8.985 1.00 0.00 C ATOM 640 O LEU A 44 8.659 1.712 9.188 1.00 0.00 O ATOM 641 CB LEU A 44 8.072 5.080 9.209 1.00 0.00 C ATOM 642 CG LEU A 44 8.964 6.286 8.914 1.00 0.00 C ATOM 643 CD1 LEU A 44 8.592 7.456 9.811 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.429 5.921 9.091 1.00 0.00 C ATOM 0 H LEU A 44 6.527 4.563 7.232 1.00 0.00 H new ATOM 0 HA LEU A 44 9.267 3.805 7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.033 5.407 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.276 4.743 10.225 1.00 0.00 H new ATOM 0 HG LEU A 44 8.808 6.585 7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.237 8.306 9.587 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.553 7.733 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.719 7.169 10.855 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.049 6.791 8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.602 5.596 10.117 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.688 5.114 8.406 1.00 0.00 H new ATOM 656 N LYS A 45 6.562 2.506 9.367 1.00 0.00 N ATOM 657 CA LYS A 45 6.057 1.328 10.063 1.00 0.00 C ATOM 658 C LYS A 45 6.453 0.051 9.327 1.00 0.00 C ATOM 659 O LYS A 45 6.866 -0.931 9.945 1.00 0.00 O ATOM 660 CB LYS A 45 4.534 1.402 10.195 1.00 0.00 C ATOM 661 CG LYS A 45 3.944 0.294 11.050 1.00 0.00 C ATOM 662 CD LYS A 45 2.486 0.039 10.704 1.00 0.00 C ATOM 663 CE LYS A 45 1.581 1.121 11.273 1.00 0.00 C ATOM 664 NZ LYS A 45 0.141 0.759 11.157 1.00 0.00 N ATOM 0 H LYS A 45 5.864 3.232 9.206 1.00 0.00 H new ATOM 0 HA LYS A 45 6.501 1.306 11.058 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.261 2.366 10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.089 1.359 9.201 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.518 -0.622 10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.027 0.562 12.103 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.370 -0.002 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.183 -0.933 11.094 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.830 1.288 12.321 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.763 2.059 10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.442 1.522 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.103 0.624 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.038 -0.123 11.679 1.00 0.00 H new ATOM 678 N THR A 46 6.325 0.071 8.004 1.00 0.00 N ATOM 679 CA THR A 46 6.669 -1.083 7.185 1.00 0.00 C ATOM 680 C THR A 46 8.106 -0.994 6.683 1.00 0.00 C ATOM 681 O THR A 46 8.702 -1.998 6.297 1.00 0.00 O ATOM 682 CB THR A 46 5.723 -1.218 5.977 1.00 0.00 C ATOM 683 OG1 THR A 46 5.948 -0.143 5.058 1.00 0.00 O ATOM 684 CG2 THR A 46 4.269 -1.213 6.425 1.00 0.00 C ATOM 0 H THR A 46 5.985 0.875 7.477 1.00 0.00 H new ATOM 0 HA THR A 46 6.563 -1.962 7.820 1.00 0.00 H new ATOM 0 HB THR A 46 5.931 -2.168 5.484 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.768 0.711 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.620 -1.309 5.555 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.094 -2.049 7.103 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.050 -0.277 6.939 1.00 0.00 H new ATOM 692 N ALA A 47 8.656 0.216 6.695 1.00 0.00 N ATOM 693 CA ALA A 47 10.025 0.436 6.244 1.00 0.00 C ATOM 694 C ALA A 47 10.179 0.088 4.767 1.00 0.00 C ATOM 695 O ALA A 47 11.183 -0.495 4.357 1.00 0.00 O ATOM 696 CB ALA A 47 10.995 -0.380 7.084 1.00 0.00 C ATOM 0 H ALA A 47 8.175 1.058 7.012 1.00 0.00 H new ATOM 0 HA ALA A 47 10.256 1.494 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.013 -0.206 6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.912 -0.081 8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.756 -1.439 6.990 1.00 0.00 H new ATOM 702 N THR A 48 9.177 0.449 3.972 1.00 0.00 N ATOM 703 CA THR A 48 9.200 0.173 2.541 1.00 0.00 C ATOM 704 C THR A 48 9.286 1.463 1.733 1.00 0.00 C ATOM 705 O THR A 48 9.283 2.560 2.293 1.00 0.00 O ATOM 706 CB THR A 48 7.952 -0.612 2.100 1.00 0.00 C ATOM 707 OG1 THR A 48 6.767 0.108 2.459 1.00 0.00 O ATOM 708 CG2 THR A 48 7.927 -1.992 2.739 1.00 0.00 C ATOM 0 H THR A 48 8.339 0.933 4.295 1.00 0.00 H new ATOM 0 HA THR A 48 10.087 -0.432 2.351 1.00 0.00 H new ATOM 0 HB THR A 48 7.989 -0.731 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.641 0.068 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.036 -2.528 2.413 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.815 -2.548 2.439 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.912 -1.890 3.824 1.00 0.00 H new ATOM 716 N LYS A 49 9.364 1.326 0.414 1.00 0.00 N ATOM 717 CA LYS A 49 9.450 2.482 -0.472 1.00 0.00 C ATOM 718 C LYS A 49 8.180 2.622 -1.306 1.00 0.00 C ATOM 719 O LYS A 49 8.037 1.986 -2.350 1.00 0.00 O ATOM 720 CB LYS A 49 10.665 2.355 -1.394 1.00 0.00 C ATOM 721 CG LYS A 49 11.228 3.692 -1.844 1.00 0.00 C ATOM 722 CD LYS A 49 12.092 4.324 -0.767 1.00 0.00 C ATOM 723 CE LYS A 49 13.478 3.700 -0.726 1.00 0.00 C ATOM 724 NZ LYS A 49 14.327 4.157 -1.861 1.00 0.00 N ATOM 0 H LYS A 49 9.369 0.426 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 49 9.561 3.374 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.446 1.796 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.385 1.774 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.818 3.553 -2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.409 4.366 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.179 5.395 -0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.610 4.206 0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.963 3.955 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.388 2.614 -0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.311 3.862 -1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.980 3.735 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.283 5.194 -1.932 1.00 0.00 H new ATOM 738 N ILE A 50 7.260 3.461 -0.838 1.00 0.00 N ATOM 739 CA ILE A 50 6.005 3.687 -1.543 1.00 0.00 C ATOM 740 C ILE A 50 6.149 4.793 -2.582 1.00 0.00 C ATOM 741 O ILE A 50 6.619 5.889 -2.274 1.00 0.00 O ATOM 742 CB ILE A 50 4.871 4.057 -0.568 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.727 2.982 0.512 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.562 4.237 -1.321 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.902 3.426 1.699 1.00 0.00 C ATOM 0 H ILE A 50 7.361 3.994 0.026 1.00 0.00 H new ATOM 0 HA ILE A 50 5.752 2.753 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 50 5.122 5.001 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.269 2.096 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.719 2.690 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.771 4.498 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.672 5.034 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.304 3.308 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.842 2.615 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.370 4.294 2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.898 3.690 1.366 1.00 0.00 H new ATOM 757 N GLN A 51 5.738 4.501 -3.811 1.00 0.00 N ATOM 758 CA GLN A 51 5.820 5.472 -4.895 1.00 0.00 C ATOM 759 C GLN A 51 4.445 5.727 -5.504 1.00 0.00 C ATOM 760 O GLN A 51 3.926 4.903 -6.256 1.00 0.00 O ATOM 761 CB GLN A 51 6.785 4.981 -5.976 1.00 0.00 C ATOM 762 CG GLN A 51 8.224 5.417 -5.750 1.00 0.00 C ATOM 763 CD GLN A 51 9.046 5.401 -7.024 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.504 5.481 -8.127 1.00 0.00 O ATOM 765 NE2 GLN A 51 10.361 5.300 -6.878 1.00 0.00 N ATOM 0 H GLN A 51 5.345 3.599 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 51 6.194 6.409 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.746 3.893 -6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.450 5.350 -6.945 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.233 6.422 -5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.688 4.759 -5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.767 5.236 -5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.966 5.286 -7.699 1.00 0.00 H new ATOM 774 N ILE A 52 3.860 6.873 -5.170 1.00 0.00 N ATOM 775 CA ILE A 52 2.545 7.237 -5.685 1.00 0.00 C ATOM 776 C ILE A 52 2.662 8.044 -6.974 1.00 0.00 C ATOM 777 O ILE A 52 3.371 9.048 -7.044 1.00 0.00 O ATOM 778 CB ILE A 52 1.743 8.051 -4.653 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.283 7.150 -3.504 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.550 8.720 -5.319 1.00 0.00 C ATOM 781 CD1 ILE A 52 0.467 7.875 -2.458 1.00 0.00 C ATOM 0 H ILE A 52 4.275 7.565 -4.546 1.00 0.00 H new ATOM 0 HA ILE A 52 2.018 6.305 -5.890 1.00 0.00 H new ATOM 0 HB ILE A 52 2.389 8.827 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.691 6.330 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.158 6.707 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.007 9.292 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.900 9.389 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.099 7.959 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.175 7.175 -1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.063 8.678 -2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.426 8.295 -2.920 1.00 0.00 H new ATOM 793 N PRO A 53 1.950 7.597 -8.018 1.00 0.00 N ATOM 794 CA PRO A 53 1.955 8.265 -9.323 1.00 0.00 C ATOM 795 C PRO A 53 1.242 9.612 -9.288 1.00 0.00 C ATOM 796 O PRO A 53 0.345 9.829 -8.474 1.00 0.00 O ATOM 797 CB PRO A 53 1.201 7.284 -10.226 1.00 0.00 C ATOM 798 CG PRO A 53 0.325 6.513 -9.300 1.00 0.00 C ATOM 799 CD PRO A 53 1.084 6.406 -8.006 1.00 0.00 C ATOM 0 HA PRO A 53 2.966 8.488 -9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.615 7.810 -10.979 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.889 6.627 -10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.629 7.020 -9.152 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.102 5.526 -9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.414 6.405 -7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.667 5.486 -7.957 1.00 0.00 H new ATOM 807 N ARG A 54 1.647 10.513 -10.177 1.00 0.00 N ATOM 808 CA ARG A 54 1.047 11.840 -10.246 1.00 0.00 C ATOM 809 C ARG A 54 -0.441 11.747 -10.567 1.00 0.00 C ATOM 810 O ARG A 54 -0.918 10.771 -11.145 1.00 0.00 O ATOM 811 CB ARG A 54 1.756 12.689 -11.304 1.00 0.00 C ATOM 812 CG ARG A 54 3.120 13.194 -10.866 1.00 0.00 C ATOM 813 CD ARG A 54 4.201 12.150 -11.096 1.00 0.00 C ATOM 814 NE ARG A 54 5.523 12.637 -10.709 1.00 0.00 N ATOM 815 CZ ARG A 54 5.930 12.736 -9.448 1.00 0.00 C ATOM 816 NH1 ARG A 54 5.121 12.384 -8.458 1.00 0.00 N ATOM 817 NH2 ARG A 54 7.147 13.188 -9.176 1.00 0.00 N ATOM 0 H ARG A 54 2.387 10.348 -10.859 1.00 0.00 H new ATOM 0 HA ARG A 54 1.162 12.315 -9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.871 12.099 -12.213 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.126 13.542 -11.555 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.367 14.102 -11.416 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.089 13.460 -9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.964 11.251 -10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.213 11.866 -12.148 1.00 0.00 H new ATOM 0 HE ARG A 54 6.169 12.916 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.184 12.036 -8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.435 12.461 -7.491 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.771 13.460 -9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.458 13.264 -8.208 1.00 0.00 H new ATOM 831 N PRO A 55 -1.196 12.787 -10.182 1.00 0.00 N ATOM 832 CA PRO A 55 -2.641 12.847 -10.417 1.00 0.00 C ATOM 833 C PRO A 55 -2.981 13.021 -11.894 1.00 0.00 C ATOM 834 O PRO A 55 -4.152 13.011 -12.277 1.00 0.00 O ATOM 835 CB PRO A 55 -3.081 14.077 -9.619 1.00 0.00 C ATOM 836 CG PRO A 55 -1.863 14.931 -9.540 1.00 0.00 C ATOM 837 CD PRO A 55 -0.696 13.986 -9.487 1.00 0.00 C ATOM 0 HA PRO A 55 -3.141 11.926 -10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.899 14.599 -10.115 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.435 13.799 -8.626 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.792 15.590 -10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.890 15.568 -8.656 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.181 14.402 -9.983 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.405 13.763 -8.460 1.00 0.00 H new ATOM 845 N ASP A 56 -1.953 13.181 -12.718 1.00 0.00 N ATOM 846 CA ASP A 56 -2.142 13.357 -14.154 1.00 0.00 C ATOM 847 C ASP A 56 -1.653 12.132 -14.919 1.00 0.00 C ATOM 848 O ASP A 56 -1.843 12.029 -16.132 1.00 0.00 O ATOM 849 CB ASP A 56 -1.404 14.605 -14.639 1.00 0.00 C ATOM 850 CG ASP A 56 0.020 14.306 -15.065 1.00 0.00 C ATOM 851 OD1 ASP A 56 0.203 13.722 -16.154 1.00 0.00 O ATOM 852 OD2 ASP A 56 0.951 14.656 -14.311 1.00 0.00 O ATOM 0 H ASP A 56 -0.979 13.193 -12.417 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.208 13.480 -14.343 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.947 15.042 -15.477 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.393 15.350 -13.843 1.00 0.00 H new ATOM 857 N ASP A 57 -1.023 11.206 -14.206 1.00 0.00 N ATOM 858 CA ASP A 57 -0.505 9.987 -14.817 1.00 0.00 C ATOM 859 C ASP A 57 -1.579 8.904 -14.861 1.00 0.00 C ATOM 860 O ASP A 57 -2.367 8.738 -13.930 1.00 0.00 O ATOM 861 CB ASP A 57 0.715 9.482 -14.047 1.00 0.00 C ATOM 862 CG ASP A 57 1.694 8.741 -14.935 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.481 9.409 -15.638 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.673 7.492 -14.930 1.00 0.00 O ATOM 0 H ASP A 57 -0.858 11.276 -13.202 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.207 10.221 -15.839 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.221 10.327 -13.579 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.387 8.822 -13.244 1.00 0.00 H new ATOM 869 N PRO A 58 -1.613 8.149 -15.969 1.00 0.00 N ATOM 870 CA PRO A 58 -2.585 7.069 -16.162 1.00 0.00 C ATOM 871 C PRO A 58 -2.322 5.881 -15.243 1.00 0.00 C ATOM 872 O PRO A 58 -3.015 4.866 -15.310 1.00 0.00 O ATOM 873 CB PRO A 58 -2.384 6.667 -17.625 1.00 0.00 C ATOM 874 CG PRO A 58 -0.981 7.059 -17.937 1.00 0.00 C ATOM 875 CD PRO A 58 -0.705 8.291 -17.119 1.00 0.00 C ATOM 0 HA PRO A 58 -3.601 7.389 -15.929 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.537 5.597 -17.766 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.092 7.179 -18.277 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.286 6.258 -17.684 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.860 7.261 -19.001 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.337 8.339 -16.804 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.910 9.201 -17.682 1.00 0.00 H new ATOM 883 N SER A 59 -1.317 6.015 -14.384 1.00 0.00 N ATOM 884 CA SER A 59 -0.960 4.951 -13.452 1.00 0.00 C ATOM 885 C SER A 59 -1.596 5.189 -12.086 1.00 0.00 C ATOM 886 O SER A 59 -1.202 6.098 -11.356 1.00 0.00 O ATOM 887 CB SER A 59 0.560 4.857 -13.311 1.00 0.00 C ATOM 888 OG SER A 59 1.150 4.329 -14.487 1.00 0.00 O ATOM 0 H SER A 59 -0.735 6.850 -14.314 1.00 0.00 H new ATOM 0 HA SER A 59 -1.339 4.010 -13.850 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.971 5.846 -13.106 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.811 4.225 -12.459 1.00 0.00 H new ATOM 0 HG SER A 59 2.122 4.281 -14.372 1.00 0.00 H new ATOM 894 N ASN A 60 -2.582 4.366 -11.747 1.00 0.00 N ATOM 895 CA ASN A 60 -3.274 4.486 -10.468 1.00 0.00 C ATOM 896 C ASN A 60 -2.879 3.350 -9.528 1.00 0.00 C ATOM 897 O ASN A 60 -3.512 3.143 -8.493 1.00 0.00 O ATOM 898 CB ASN A 60 -4.789 4.483 -10.683 1.00 0.00 C ATOM 899 CG ASN A 60 -5.284 3.187 -11.293 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.804 2.758 -12.342 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.251 2.555 -10.636 1.00 0.00 N ATOM 0 H ASN A 60 -2.921 3.608 -12.340 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.981 5.431 -10.010 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.289 4.646 -9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.063 5.315 -11.332 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.625 1.678 -10.998 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.619 2.947 -9.770 1.00 0.00 H new ATOM 908 N GLN A 61 -1.831 2.622 -9.896 1.00 0.00 N ATOM 909 CA GLN A 61 -1.352 1.508 -9.085 1.00 0.00 C ATOM 910 C GLN A 61 -0.114 1.907 -8.289 1.00 0.00 C ATOM 911 O GLN A 61 0.900 2.306 -8.861 1.00 0.00 O ATOM 912 CB GLN A 61 -1.037 0.302 -9.971 1.00 0.00 C ATOM 913 CG GLN A 61 0.070 0.561 -10.980 1.00 0.00 C ATOM 914 CD GLN A 61 0.110 -0.478 -12.083 1.00 0.00 C ATOM 915 OE1 GLN A 61 0.136 -0.142 -13.267 1.00 0.00 O ATOM 916 NE2 GLN A 61 0.115 -1.749 -11.700 1.00 0.00 N ATOM 0 H GLN A 61 -1.297 2.783 -10.750 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.141 1.237 -8.383 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.751 -0.538 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.941 0.007 -10.504 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.069 1.548 -11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.030 0.575 -10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.093 -1.983 -10.707 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.141 -2.492 -12.398 1.00 0.00 H new ATOM 925 N ILE A 62 -0.205 1.795 -6.968 1.00 0.00 N ATOM 926 CA ILE A 62 0.909 2.144 -6.095 1.00 0.00 C ATOM 927 C ILE A 62 2.001 1.080 -6.147 1.00 0.00 C ATOM 928 O ILE A 62 1.730 -0.092 -6.404 1.00 0.00 O ATOM 929 CB ILE A 62 0.447 2.318 -4.636 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.306 3.639 -4.471 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.639 2.261 -3.692 1.00 0.00 C ATOM 932 CD1 ILE A 62 -1.121 3.716 -3.199 1.00 0.00 C ATOM 0 H ILE A 62 -1.038 1.466 -6.479 1.00 0.00 H new ATOM 0 HA ILE A 62 1.309 3.091 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.230 1.501 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.411 4.460 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.968 3.780 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.296 2.386 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.138 1.297 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.338 3.059 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.627 4.680 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.862 2.916 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.462 3.607 -2.338 1.00 0.00 H new ATOM 944 N LYS A 63 3.238 1.498 -5.897 1.00 0.00 N ATOM 945 CA LYS A 63 4.373 0.583 -5.912 1.00 0.00 C ATOM 946 C LYS A 63 4.977 0.443 -4.518 1.00 0.00 C ATOM 947 O LYS A 63 5.250 1.439 -3.847 1.00 0.00 O ATOM 948 CB LYS A 63 5.438 1.074 -6.895 1.00 0.00 C ATOM 949 CG LYS A 63 6.764 0.346 -6.769 1.00 0.00 C ATOM 950 CD LYS A 63 7.612 0.508 -8.020 1.00 0.00 C ATOM 951 CE LYS A 63 9.049 0.074 -7.780 1.00 0.00 C ATOM 952 NZ LYS A 63 9.922 0.378 -8.947 1.00 0.00 N ATOM 0 H LYS A 63 3.479 2.465 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 63 4.015 -0.395 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.064 0.956 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.602 2.140 -6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.310 0.729 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.582 -0.713 -6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.183 -0.082 -8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.594 1.550 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.437 0.578 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.076 -0.996 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.893 0.067 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.566 -0.123 -9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.917 1.402 -9.127 1.00 0.00 H new ATOM 966 N ILE A 64 5.184 -0.798 -4.091 1.00 0.00 N ATOM 967 CA ILE A 64 5.758 -1.066 -2.778 1.00 0.00 C ATOM 968 C ILE A 64 6.986 -1.964 -2.888 1.00 0.00 C ATOM 969 O ILE A 64 6.902 -3.091 -3.377 1.00 0.00 O ATOM 970 CB ILE A 64 4.734 -1.730 -1.840 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.709 -2.526 -2.650 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.040 -0.679 -0.985 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.752 -3.325 -1.794 1.00 0.00 C ATOM 0 H ILE A 64 4.963 -1.633 -4.634 1.00 0.00 H new ATOM 0 HA ILE A 64 6.050 -0.103 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 64 5.261 -2.418 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.138 -1.839 -3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.236 -3.204 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.319 -1.164 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.781 -0.151 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.523 0.031 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.054 -3.864 -2.435 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.313 -4.037 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.198 -2.651 -1.141 1.00 0.00 H new ATOM 985 N THR A 65 8.126 -1.459 -2.429 1.00 0.00 N ATOM 986 CA THR A 65 9.372 -2.215 -2.475 1.00 0.00 C ATOM 987 C THR A 65 9.997 -2.330 -1.090 1.00 0.00 C ATOM 988 O THR A 65 9.887 -1.418 -0.271 1.00 0.00 O ATOM 989 CB THR A 65 10.388 -1.565 -3.432 1.00 0.00 C ATOM 990 OG1 THR A 65 9.776 -1.317 -4.702 1.00 0.00 O ATOM 991 CG2 THR A 65 11.605 -2.458 -3.617 1.00 0.00 C ATOM 0 H THR A 65 8.213 -0.528 -2.020 1.00 0.00 H new ATOM 0 HA THR A 65 9.124 -3.211 -2.842 1.00 0.00 H new ATOM 0 HB THR A 65 10.712 -0.621 -2.995 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.457 -1.352 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.309 -1.978 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.086 -2.621 -2.653 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.294 -3.416 -4.034 1.00 0.00 H new ATOM 999 N GLY A 66 10.653 -3.457 -0.834 1.00 0.00 N ATOM 1000 CA GLY A 66 11.287 -3.671 0.454 1.00 0.00 C ATOM 1001 C GLY A 66 11.416 -5.140 0.801 1.00 0.00 C ATOM 1002 O GLY A 66 11.607 -5.980 -0.079 1.00 0.00 O ATOM 0 H GLY A 66 10.757 -4.226 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.277 -3.214 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.708 -3.168 1.228 1.00 0.00 H new ATOM 1006 N THR A 67 11.314 -5.454 2.089 1.00 0.00 N ATOM 1007 CA THR A 67 11.423 -6.832 2.550 1.00 0.00 C ATOM 1008 C THR A 67 10.099 -7.570 2.398 1.00 0.00 C ATOM 1009 O THR A 67 9.032 -7.012 2.657 1.00 0.00 O ATOM 1010 CB THR A 67 11.868 -6.898 4.023 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.937 -6.189 4.849 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.259 -6.304 4.196 1.00 0.00 C ATOM 0 H THR A 67 11.156 -4.772 2.831 1.00 0.00 H new ATOM 0 HA THR A 67 12.177 -7.314 1.928 1.00 0.00 H new ATOM 0 HB THR A 67 11.896 -7.945 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.226 -6.237 5.784 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.552 -6.362 5.244 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.971 -6.863 3.589 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.251 -5.261 3.878 1.00 0.00 H new ATOM 1020 N LYS A 68 10.171 -8.829 1.978 1.00 0.00 N ATOM 1021 CA LYS A 68 8.978 -9.645 1.793 1.00 0.00 C ATOM 1022 C LYS A 68 7.942 -9.345 2.872 1.00 0.00 C ATOM 1023 O LYS A 68 6.739 -9.455 2.637 1.00 0.00 O ATOM 1024 CB LYS A 68 9.342 -11.131 1.819 1.00 0.00 C ATOM 1025 CG LYS A 68 8.177 -12.048 1.491 1.00 0.00 C ATOM 1026 CD LYS A 68 7.389 -12.415 2.738 1.00 0.00 C ATOM 1027 CE LYS A 68 8.031 -13.577 3.481 1.00 0.00 C ATOM 1028 NZ LYS A 68 8.031 -14.824 2.667 1.00 0.00 N ATOM 0 H LYS A 68 11.045 -9.306 1.759 1.00 0.00 H new ATOM 0 HA LYS A 68 8.547 -9.400 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.147 -11.312 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.727 -11.385 2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.518 -11.559 0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.549 -12.955 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.326 -11.550 3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.368 -12.679 2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.056 -13.317 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.495 -13.752 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.571 -15.588 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.511 -14.660 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.011 -15.096 2.448 1.00 0.00 H new ATOM 1042 N GLU A 69 8.418 -8.967 4.054 1.00 0.00 N ATOM 1043 CA GLU A 69 7.531 -8.651 5.168 1.00 0.00 C ATOM 1044 C GLU A 69 7.070 -7.198 5.102 1.00 0.00 C ATOM 1045 O GLU A 69 5.888 -6.901 5.271 1.00 0.00 O ATOM 1046 CB GLU A 69 8.235 -8.915 6.500 1.00 0.00 C ATOM 1047 CG GLU A 69 8.682 -10.356 6.678 1.00 0.00 C ATOM 1048 CD GLU A 69 9.804 -10.499 7.687 1.00 0.00 C ATOM 1049 OE1 GLU A 69 10.802 -9.756 7.572 1.00 0.00 O ATOM 1050 OE2 GLU A 69 9.686 -11.353 8.590 1.00 0.00 O ATOM 0 H GLU A 69 9.411 -8.872 4.265 1.00 0.00 H new ATOM 0 HA GLU A 69 6.655 -9.295 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.104 -8.262 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.563 -8.649 7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.832 -10.959 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.010 -10.752 5.717 1.00 0.00 H new ATOM 1057 N GLY A 70 8.014 -6.295 4.855 1.00 0.00 N ATOM 1058 CA GLY A 70 7.687 -4.883 4.772 1.00 0.00 C ATOM 1059 C GLY A 70 6.614 -4.597 3.740 1.00 0.00 C ATOM 1060 O GLY A 70 5.606 -3.958 4.044 1.00 0.00 O ATOM 0 H GLY A 70 8.999 -6.516 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.351 -4.533 5.748 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.586 -4.319 4.523 1.00 0.00 H new ATOM 1064 N ILE A 71 6.830 -5.068 2.516 1.00 0.00 N ATOM 1065 CA ILE A 71 5.874 -4.858 1.437 1.00 0.00 C ATOM 1066 C ILE A 71 4.520 -5.469 1.776 1.00 0.00 C ATOM 1067 O ILE A 71 3.477 -4.860 1.538 1.00 0.00 O ATOM 1068 CB ILE A 71 6.380 -5.461 0.112 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.753 -4.888 -0.243 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.382 -5.194 -1.005 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.434 -5.615 -1.382 1.00 0.00 C ATOM 0 H ILE A 71 7.659 -5.598 2.247 1.00 0.00 H new ATOM 0 HA ILE A 71 5.764 -3.780 1.318 1.00 0.00 H new ATOM 0 HB ILE A 71 6.479 -6.540 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.642 -3.837 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.394 -4.928 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.753 -5.626 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.423 -5.646 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.254 -4.119 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.402 -5.155 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.577 -6.661 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.814 -5.553 -2.276 1.00 0.00 H new ATOM 1083 N GLU A 72 4.543 -6.674 2.337 1.00 0.00 N ATOM 1084 CA GLU A 72 3.315 -7.366 2.710 1.00 0.00 C ATOM 1085 C GLU A 72 2.475 -6.512 3.656 1.00 0.00 C ATOM 1086 O GLU A 72 1.274 -6.334 3.450 1.00 0.00 O ATOM 1087 CB GLU A 72 3.641 -8.708 3.371 1.00 0.00 C ATOM 1088 CG GLU A 72 4.061 -9.785 2.385 1.00 0.00 C ATOM 1089 CD GLU A 72 2.878 -10.492 1.753 1.00 0.00 C ATOM 1090 OE1 GLU A 72 2.087 -9.819 1.059 1.00 0.00 O ATOM 1091 OE2 GLU A 72 2.742 -11.717 1.953 1.00 0.00 O ATOM 0 H GLU A 72 5.398 -7.191 2.543 1.00 0.00 H new ATOM 0 HA GLU A 72 2.739 -7.546 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.440 -8.561 4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.767 -9.053 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.672 -9.337 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.686 -10.517 2.897 1.00 0.00 H new ATOM 1098 N LYS A 73 3.115 -5.986 4.694 1.00 0.00 N ATOM 1099 CA LYS A 73 2.430 -5.149 5.672 1.00 0.00 C ATOM 1100 C LYS A 73 1.775 -3.948 4.997 1.00 0.00 C ATOM 1101 O LYS A 73 0.582 -3.703 5.167 1.00 0.00 O ATOM 1102 CB LYS A 73 3.412 -4.673 6.744 1.00 0.00 C ATOM 1103 CG LYS A 73 3.800 -5.755 7.738 1.00 0.00 C ATOM 1104 CD LYS A 73 5.165 -5.487 8.350 1.00 0.00 C ATOM 1105 CE LYS A 73 5.365 -6.279 9.633 1.00 0.00 C ATOM 1106 NZ LYS A 73 6.333 -5.614 10.548 1.00 0.00 N ATOM 0 H LYS A 73 4.108 -6.125 4.880 1.00 0.00 H new ATOM 0 HA LYS A 73 1.651 -5.748 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.313 -4.298 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.969 -3.837 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.051 -5.810 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.808 -6.724 7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.944 -5.749 7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.269 -4.422 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.407 -6.397 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.723 -7.280 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.443 -6.184 11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.254 -5.524 10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.980 -4.669 10.800 1.00 0.00 H new ATOM 1120 N ALA A 74 2.565 -3.202 4.232 1.00 0.00 N ATOM 1121 CA ALA A 74 2.062 -2.028 3.530 1.00 0.00 C ATOM 1122 C ALA A 74 0.956 -2.407 2.551 1.00 0.00 C ATOM 1123 O ALA A 74 -0.011 -1.666 2.376 1.00 0.00 O ATOM 1124 CB ALA A 74 3.195 -1.323 2.800 1.00 0.00 C ATOM 0 H ALA A 74 3.556 -3.390 4.083 1.00 0.00 H new ATOM 0 HA ALA A 74 1.641 -1.346 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.804 -0.448 2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.952 -1.010 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.642 -2.005 2.077 1.00 0.00 H new ATOM 1130 N ARG A 75 1.106 -3.565 1.915 1.00 0.00 N ATOM 1131 CA ARG A 75 0.119 -4.040 0.953 1.00 0.00 C ATOM 1132 C ARG A 75 -1.202 -4.367 1.643 1.00 0.00 C ATOM 1133 O ARG A 75 -2.277 -4.081 1.116 1.00 0.00 O ATOM 1134 CB ARG A 75 0.645 -5.278 0.222 1.00 0.00 C ATOM 1135 CG ARG A 75 0.074 -5.447 -1.177 1.00 0.00 C ATOM 1136 CD ARG A 75 0.627 -6.689 -1.857 1.00 0.00 C ATOM 1137 NE ARG A 75 -0.285 -7.209 -2.873 1.00 0.00 N ATOM 1138 CZ ARG A 75 -0.289 -8.475 -3.277 1.00 0.00 C ATOM 1139 NH1 ARG A 75 0.565 -9.344 -2.756 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -1.150 -8.871 -4.206 1.00 0.00 N ATOM 0 H ARG A 75 1.901 -4.190 2.049 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.058 -3.245 0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.731 -5.217 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.410 -6.165 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.013 -5.514 -1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.309 -4.567 -1.776 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.586 -6.453 -2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.813 -7.459 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.955 -6.566 -3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.228 -9.042 -2.042 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.559 -10.315 -3.069 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.808 -8.204 -4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.154 -9.842 -4.517 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.113 -4.966 2.827 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.301 -5.330 3.590 1.00 0.00 C ATOM 1156 C HIS A 76 -3.025 -4.086 4.095 1.00 0.00 C ATOM 1157 O HIS A 76 -4.255 -4.049 4.142 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.921 -6.227 4.768 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.091 -6.920 5.396 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.752 -7.973 4.799 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.718 -6.705 6.577 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.735 -8.374 5.585 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.736 -7.621 6.671 1.00 0.00 N ATOM 0 H HIS A 76 -0.231 -5.209 3.278 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.974 -5.877 2.929 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.206 -6.976 4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.417 -5.625 5.524 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.464 -5.953 7.309 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.422 -9.181 5.376 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.387 -7.707 7.452 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.255 -3.071 4.473 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.824 -1.827 4.977 1.00 0.00 C ATOM 1173 C GLU A 77 -3.439 -1.012 3.842 1.00 0.00 C ATOM 1174 O GLU A 77 -4.586 -0.573 3.930 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.751 -1.001 5.690 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.133 -1.708 6.884 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.076 -1.788 8.068 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.288 -1.549 7.878 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -1.604 -2.089 9.184 1.00 0.00 O ATOM 0 H GLU A 77 -1.236 -3.086 4.440 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.610 -2.079 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.964 -0.752 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.190 -0.060 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.837 -2.715 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.225 -1.183 7.182 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.667 -0.812 2.779 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.135 -0.051 1.627 1.00 0.00 C ATOM 1188 C VAL A 78 -4.353 -0.710 0.990 1.00 0.00 C ATOM 1189 O VAL A 78 -5.201 -0.037 0.403 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.029 0.095 0.564 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -1.855 -1.205 -0.206 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.346 1.246 -0.378 1.00 0.00 C ATOM 0 H VAL A 78 -1.715 -1.166 2.692 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.411 0.938 1.992 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.089 0.318 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.070 -1.084 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.579 -2.002 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.791 -1.462 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.555 1.335 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.295 1.056 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.415 2.173 0.191 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.435 -2.031 1.111 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.551 -2.783 0.548 1.00 0.00 C ATOM 1204 C LEU A 79 -6.766 -2.724 1.466 1.00 0.00 C ATOM 1205 O LEU A 79 -7.903 -2.618 1.004 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.143 -4.239 0.314 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.496 -4.546 -1.037 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.889 -5.940 -1.033 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.513 -4.409 -2.161 1.00 0.00 C ATOM 0 H LEU A 79 -3.742 -2.603 1.594 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.819 -2.329 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.449 -4.532 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.029 -4.865 0.421 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.698 -3.824 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.433 -6.141 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.129 -6.004 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.669 -6.676 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.034 -4.631 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.334 -5.107 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.901 -3.390 -2.179 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.519 -2.791 2.770 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.594 -2.743 3.756 1.00 0.00 C ATOM 1223 C LEU A 80 -8.295 -1.388 3.731 1.00 0.00 C ATOM 1224 O LEU A 80 -9.524 -1.314 3.756 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.042 -3.020 5.155 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.947 -4.492 5.559 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.386 -4.623 6.967 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.310 -5.160 5.463 1.00 0.00 C ATOM 0 H LEU A 80 -5.584 -2.879 3.169 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.323 -3.513 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.047 -2.580 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.671 -2.504 5.881 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.268 -4.995 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.325 -5.677 7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.390 -4.181 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.040 -4.105 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.223 -6.207 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.010 -4.655 6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.674 -5.097 4.438 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.505 -0.320 3.682 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.050 1.031 3.652 1.00 0.00 C ATOM 1242 C ILE A 81 -8.858 1.270 2.381 1.00 0.00 C ATOM 1243 O ILE A 81 -10.044 1.593 2.439 1.00 0.00 O ATOM 1244 CB ILE A 81 -6.935 2.089 3.744 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.136 1.910 5.036 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.526 3.490 3.670 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.759 2.533 4.987 1.00 0.00 C ATOM 0 H ILE A 81 -6.486 -0.365 3.662 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.704 1.127 4.519 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.259 1.956 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.695 2.348 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.037 0.845 5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.725 4.227 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.054 3.613 2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.222 3.635 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.251 2.367 5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.182 2.078 4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.850 3.604 4.807 1.00 0.00 H new ATOM 1259 N SER A 82 -8.208 1.106 1.233 1.00 0.00 N ATOM 1260 CA SER A 82 -8.865 1.305 -0.053 1.00 0.00 C ATOM 1261 C SER A 82 -10.146 0.480 -0.142 1.00 0.00 C ATOM 1262 O SER A 82 -11.154 0.935 -0.680 1.00 0.00 O ATOM 1263 CB SER A 82 -7.922 0.928 -1.196 1.00 0.00 C ATOM 1264 OG SER A 82 -6.686 1.613 -1.085 1.00 0.00 O ATOM 0 H SER A 82 -7.227 0.836 1.168 1.00 0.00 H new ATOM 0 HA SER A 82 -9.126 2.360 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.747 -0.148 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.389 1.167 -2.151 1.00 0.00 H new ATOM 0 HG SER A 82 -6.134 1.183 -0.399 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.096 -0.737 0.389 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.251 -1.627 0.372 1.00 0.00 C ATOM 1272 C ALA A 83 -12.423 -1.018 1.133 1.00 0.00 C ATOM 1273 O ALA A 83 -13.542 -0.956 0.622 1.00 0.00 O ATOM 1274 CB ALA A 83 -10.883 -2.980 0.960 1.00 0.00 C ATOM 0 H ALA A 83 -9.268 -1.130 0.837 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.557 -1.766 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.755 -3.634 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.081 -3.426 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.549 -2.851 1.989 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.160 -0.570 2.357 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.196 0.033 3.188 1.00 0.00 C ATOM 1282 C GLU A 84 -13.824 1.235 2.489 1.00 0.00 C ATOM 1283 O GLU A 84 -14.989 1.558 2.717 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.614 0.460 4.537 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.596 -0.652 5.572 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.980 -0.980 6.100 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.652 -0.062 6.613 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.390 -2.155 5.998 1.00 0.00 O ATOM 0 H GLU A 84 -11.240 -0.613 2.795 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.972 -0.714 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.597 0.821 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.195 1.297 4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.158 -1.547 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.954 -0.360 6.403 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.043 1.891 1.637 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.523 3.058 0.905 1.00 0.00 C ATOM 1297 C GLN A 85 -14.651 2.677 -0.046 1.00 0.00 C ATOM 1298 O GLN A 85 -15.646 3.393 -0.162 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.376 3.702 0.124 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.242 4.198 1.006 1.00 0.00 C ATOM 1301 CD GLN A 85 -11.734 4.784 2.316 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -12.613 5.644 2.332 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.166 4.317 3.423 1.00 0.00 N ATOM 0 H GLN A 85 -12.076 1.635 1.436 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.910 3.776 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -11.981 2.978 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.767 4.538 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.561 3.373 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.671 4.953 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.440 3.603 3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.456 4.673 4.334 1.00 0.00 H new