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 -88:sc= 2.28 USER MOD Set 1.2: A 48 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 18 SER OG : rot 39:sc= 0.00409 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= -0.0657 (180deg=-0.404) USER MOD Single : A 27 HIS : no HD1:sc= -6.74! C(o=-6.7!,f=-10!) USER MOD Single : A 28 HIS : no HD1:sc= -0.399 K(o=-0.4,f=-4.7!) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0227 (180deg=-0.26) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.675 F(o=-2,f=-0.67) USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= -0.85 (180deg=-2.78!) USER MOD Single : A 40 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.012) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 97:sc= 0.183 USER MOD Single : A 60 ASN : amide:sc= 0.308 K(o=0.31,f=-2.7!) USER MOD Single : A 61 GLN :FLIP amide:sc= -0.776 F(o=-1.9!,f=-0.78) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.596 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -131:sc= 0.733 (180deg=0.00168) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 82 SER OG : rot -78:sc= 0.306 USER MOD Single : A 85 GLN : amide:sc= -3! C(o=-3!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.199 -7.686 -3.335 1.00 0.00 N ATOM 215 CA ALA A 17 11.026 -7.819 -4.190 1.00 0.00 C ATOM 216 C ALA A 17 10.216 -6.528 -4.216 1.00 0.00 C ATOM 217 O ALA A 17 10.348 -5.683 -3.331 1.00 0.00 O ATOM 218 CB ALA A 17 10.161 -8.979 -3.721 1.00 0.00 C ATOM 0 HA ALA A 17 11.367 -8.022 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.288 -9.067 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.738 -9.903 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.836 -8.799 -2.696 1.00 0.00 H new ATOM 224 N SER A 18 9.378 -6.381 -5.237 1.00 0.00 N ATOM 225 CA SER A 18 8.549 -5.190 -5.380 1.00 0.00 C ATOM 226 C SER A 18 7.180 -5.546 -5.951 1.00 0.00 C ATOM 227 O SER A 18 7.079 -6.174 -7.004 1.00 0.00 O ATOM 228 CB SER A 18 9.241 -4.167 -6.284 1.00 0.00 C ATOM 229 OG SER A 18 9.819 -4.795 -7.416 1.00 0.00 O ATOM 0 H SER A 18 9.255 -7.072 -5.977 1.00 0.00 H new ATOM 0 HA SER A 18 8.408 -4.754 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.520 -3.417 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.013 -3.643 -5.721 1.00 0.00 H new ATOM 0 HG SER A 18 9.224 -5.505 -7.736 1.00 0.00 H new ATOM 235 N ALA A 19 6.129 -5.139 -5.248 1.00 0.00 N ATOM 236 CA ALA A 19 4.765 -5.413 -5.684 1.00 0.00 C ATOM 237 C ALA A 19 4.001 -4.119 -5.944 1.00 0.00 C ATOM 238 O ALA A 19 4.518 -3.024 -5.716 1.00 0.00 O ATOM 239 CB ALA A 19 4.039 -6.257 -4.647 1.00 0.00 C ATOM 0 H ALA A 19 6.196 -4.618 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 19 4.814 -5.969 -6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.022 -6.454 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.566 -7.202 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.008 -5.721 -3.698 1.00 0.00 H new ATOM 245 N THR A 20 2.768 -4.251 -6.423 1.00 0.00 N ATOM 246 CA THR A 20 1.934 -3.092 -6.716 1.00 0.00 C ATOM 247 C THR A 20 0.491 -3.330 -6.287 1.00 0.00 C ATOM 248 O THR A 20 0.037 -4.472 -6.207 1.00 0.00 O ATOM 249 CB THR A 20 1.962 -2.745 -8.216 1.00 0.00 C ATOM 250 OG1 THR A 20 2.169 -3.932 -8.990 1.00 0.00 O ATOM 251 CG2 THR A 20 3.060 -1.737 -8.519 1.00 0.00 C ATOM 0 H THR A 20 2.325 -5.149 -6.616 1.00 0.00 H new ATOM 0 HA THR A 20 2.345 -2.256 -6.150 1.00 0.00 H new ATOM 0 HB THR A 20 1.002 -2.302 -8.481 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.184 -3.703 -9.943 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.060 -1.508 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.882 -0.824 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.026 -2.156 -8.238 1.00 0.00 H new ATOM 259 N VAL A 21 -0.227 -2.246 -6.011 1.00 0.00 N ATOM 260 CA VAL A 21 -1.620 -2.338 -5.592 1.00 0.00 C ATOM 261 C VAL A 21 -2.511 -1.441 -6.445 1.00 0.00 C ATOM 262 O VAL A 21 -2.481 -0.218 -6.316 1.00 0.00 O ATOM 263 CB VAL A 21 -1.788 -1.950 -4.111 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.172 -0.585 -3.844 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.258 -1.968 -3.718 1.00 0.00 C ATOM 0 H VAL A 21 0.133 -1.294 -6.070 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.922 -3.377 -5.724 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.264 -2.684 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.300 -0.327 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.109 -0.612 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.665 0.164 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.357 -1.691 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.808 -1.257 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.663 -2.969 -3.869 1.00 0.00 H new ATOM 275 N ALA A 22 -3.303 -2.059 -7.315 1.00 0.00 N ATOM 276 CA ALA A 22 -4.205 -1.317 -8.187 1.00 0.00 C ATOM 277 C ALA A 22 -5.301 -0.625 -7.384 1.00 0.00 C ATOM 278 O ALA A 22 -6.169 -1.282 -6.807 1.00 0.00 O ATOM 279 CB ALA A 22 -4.816 -2.244 -9.228 1.00 0.00 C ATOM 0 H ALA A 22 -3.338 -3.071 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.625 -0.548 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.487 -1.676 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.023 -2.687 -9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.376 -3.034 -8.728 1.00 0.00 H new ATOM 285 N ILE A 23 -5.255 0.701 -7.350 1.00 0.00 N ATOM 286 CA ILE A 23 -6.245 1.482 -6.617 1.00 0.00 C ATOM 287 C ILE A 23 -6.624 2.746 -7.379 1.00 0.00 C ATOM 288 O ILE A 23 -5.867 3.250 -8.210 1.00 0.00 O ATOM 289 CB ILE A 23 -5.730 1.873 -5.218 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.267 2.314 -5.295 1.00 0.00 C ATOM 291 CG2 ILE A 23 -5.889 0.710 -4.251 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.647 2.590 -3.942 1.00 0.00 C ATOM 0 H ILE A 23 -4.543 1.259 -7.821 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.126 0.850 -6.508 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.323 2.710 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.689 1.540 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.199 3.213 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.521 1.002 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.942 0.439 -4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.318 -0.145 -4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.610 2.898 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.201 3.385 -3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.683 1.686 -3.334 1.00 0.00 H new ATOM 304 N PRO A 24 -7.823 3.274 -7.092 1.00 0.00 N ATOM 305 CA PRO A 24 -8.329 4.488 -7.738 1.00 0.00 C ATOM 306 C PRO A 24 -7.566 5.736 -7.305 1.00 0.00 C ATOM 307 O PRO A 24 -7.046 5.804 -6.191 1.00 0.00 O ATOM 308 CB PRO A 24 -9.784 4.561 -7.268 1.00 0.00 C ATOM 309 CG PRO A 24 -9.801 3.818 -5.976 1.00 0.00 C ATOM 310 CD PRO A 24 -8.777 2.726 -6.113 1.00 0.00 C ATOM 0 HA PRO A 24 -8.219 4.449 -8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.106 5.594 -7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.458 4.108 -7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.559 4.478 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.789 3.404 -5.777 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.294 2.506 -5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.225 1.797 -6.465 1.00 0.00 H new ATOM 318 N LYS A 25 -7.502 6.723 -8.193 1.00 0.00 N ATOM 319 CA LYS A 25 -6.805 7.970 -7.903 1.00 0.00 C ATOM 320 C LYS A 25 -7.527 8.756 -6.813 1.00 0.00 C ATOM 321 O LYS A 25 -7.069 9.821 -6.397 1.00 0.00 O ATOM 322 CB LYS A 25 -6.691 8.821 -9.170 1.00 0.00 C ATOM 323 CG LYS A 25 -5.721 8.259 -10.195 1.00 0.00 C ATOM 324 CD LYS A 25 -5.072 9.363 -11.012 1.00 0.00 C ATOM 325 CE LYS A 25 -5.877 9.675 -12.265 1.00 0.00 C ATOM 326 NZ LYS A 25 -5.856 8.545 -13.233 1.00 0.00 N ATOM 0 H LYS A 25 -7.925 6.683 -9.120 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.805 7.724 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.677 8.912 -9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.373 9.827 -8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.950 7.679 -9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.249 7.575 -10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.981 10.262 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.062 9.064 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.908 9.897 -11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.475 10.569 -12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.041 8.905 -14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.923 8.085 -13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.589 7.854 -12.976 1.00 0.00 H new ATOM 340 N GLU A 26 -8.655 8.224 -6.353 1.00 0.00 N ATOM 341 CA GLU A 26 -9.437 8.876 -5.311 1.00 0.00 C ATOM 342 C GLU A 26 -9.080 8.321 -3.934 1.00 0.00 C ATOM 343 O GLU A 26 -9.306 8.972 -2.913 1.00 0.00 O ATOM 344 CB GLU A 26 -10.933 8.692 -5.575 1.00 0.00 C ATOM 345 CG GLU A 26 -11.484 7.372 -5.063 1.00 0.00 C ATOM 346 CD GLU A 26 -12.983 7.252 -5.255 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.697 8.240 -4.988 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.442 6.167 -5.672 1.00 0.00 O ATOM 0 H GLU A 26 -9.047 7.343 -6.686 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.200 9.940 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.479 9.510 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.115 8.760 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.988 6.551 -5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.248 7.270 -4.004 1.00 0.00 H new ATOM 355 N HIS A 27 -8.524 7.115 -3.915 1.00 0.00 N ATOM 356 CA HIS A 27 -8.136 6.471 -2.665 1.00 0.00 C ATOM 357 C HIS A 27 -6.706 6.844 -2.284 1.00 0.00 C ATOM 358 O HIS A 27 -6.358 6.883 -1.103 1.00 0.00 O ATOM 359 CB HIS A 27 -8.265 4.952 -2.787 1.00 0.00 C ATOM 360 CG HIS A 27 -9.682 4.470 -2.774 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.045 3.190 -3.143 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.830 5.101 -2.432 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.355 3.057 -3.030 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.855 4.202 -2.600 1.00 0.00 N ATOM 0 H HIS A 27 -8.332 6.563 -4.751 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.806 6.822 -1.880 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.788 4.628 -3.712 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.722 4.482 -1.967 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.923 6.121 -2.091 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.921 2.164 -3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.842 4.388 -2.422 1.00 0.00 H new ATOM 372 N HIS A 28 -5.882 7.114 -3.291 1.00 0.00 N ATOM 373 CA HIS A 28 -4.489 7.482 -3.060 1.00 0.00 C ATOM 374 C HIS A 28 -4.367 8.424 -1.866 1.00 0.00 C ATOM 375 O HIS A 28 -3.521 8.229 -0.993 1.00 0.00 O ATOM 376 CB HIS A 28 -3.902 8.143 -4.308 1.00 0.00 C ATOM 377 CG HIS A 28 -3.623 7.179 -5.421 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.799 7.477 -6.485 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.065 5.917 -5.630 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.747 6.440 -7.302 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.505 5.479 -6.806 1.00 0.00 N ATOM 0 H HIS A 28 -6.154 7.085 -4.274 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.929 6.573 -2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.594 8.906 -4.664 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.977 8.652 -4.039 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.733 5.358 -4.992 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.181 6.387 -8.220 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.651 4.561 -7.227 1.00 0.00 H new ATOM 389 N ARG A 29 -5.216 9.446 -1.836 1.00 0.00 N ATOM 390 CA ARG A 29 -5.201 10.419 -0.750 1.00 0.00 C ATOM 391 C ARG A 29 -5.280 9.722 0.606 1.00 0.00 C ATOM 392 O ARG A 29 -4.519 10.035 1.522 1.00 0.00 O ATOM 393 CB ARG A 29 -6.365 11.401 -0.899 1.00 0.00 C ATOM 394 CG ARG A 29 -7.728 10.770 -0.661 1.00 0.00 C ATOM 395 CD ARG A 29 -8.854 11.724 -1.025 1.00 0.00 C ATOM 396 NE ARG A 29 -8.717 12.240 -2.384 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.550 13.123 -2.922 1.00 0.00 C ATOM 398 NH1 ARG A 29 -10.575 13.587 -2.220 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.358 13.546 -4.165 1.00 0.00 N ATOM 0 H ARG A 29 -5.922 9.622 -2.551 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.262 10.969 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.227 12.224 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.342 11.829 -1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.816 9.858 -1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.819 10.481 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.810 11.210 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.866 12.556 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.939 11.904 -2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.725 13.266 -1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.213 14.265 -2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.570 13.193 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.998 14.224 -4.578 1.00 0.00 H new ATOM 413 N PHE A 30 -6.207 8.777 0.726 1.00 0.00 N ATOM 414 CA PHE A 30 -6.386 8.037 1.970 1.00 0.00 C ATOM 415 C PHE A 30 -5.095 7.336 2.377 1.00 0.00 C ATOM 416 O PHE A 30 -4.871 7.055 3.555 1.00 0.00 O ATOM 417 CB PHE A 30 -7.512 7.011 1.820 1.00 0.00 C ATOM 418 CG PHE A 30 -8.886 7.607 1.938 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.491 7.747 3.177 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.573 8.027 0.810 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.754 8.295 3.289 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.837 8.576 0.916 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.429 8.710 2.158 1.00 0.00 C ATOM 0 H PHE A 30 -6.845 8.506 -0.022 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.653 8.748 2.751 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.419 6.521 0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.393 6.239 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.969 7.424 4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.115 7.924 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.213 8.399 4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.362 8.900 0.029 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.417 9.138 2.244 1.00 0.00 H new ATOM 433 N VAL A 31 -4.245 7.054 1.393 1.00 0.00 N ATOM 434 CA VAL A 31 -2.976 6.385 1.647 1.00 0.00 C ATOM 435 C VAL A 31 -1.907 7.382 2.081 1.00 0.00 C ATOM 436 O VAL A 31 -1.078 7.085 2.942 1.00 0.00 O ATOM 437 CB VAL A 31 -2.480 5.627 0.401 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.214 4.848 0.718 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.567 4.703 -0.127 1.00 0.00 C ATOM 0 H VAL A 31 -4.414 7.279 0.413 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.151 5.670 2.451 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.244 6.355 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.879 4.319 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.435 5.537 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.418 4.128 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.200 4.175 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.836 3.980 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.445 5.290 -0.396 1.00 0.00 H new ATOM 449 N ILE A 32 -1.931 8.567 1.479 1.00 0.00 N ATOM 450 CA ILE A 32 -0.966 9.608 1.804 1.00 0.00 C ATOM 451 C ILE A 32 -1.239 10.203 3.181 1.00 0.00 C ATOM 452 O ILE A 32 -0.315 10.497 3.936 1.00 0.00 O ATOM 453 CB ILE A 32 -0.983 10.738 0.758 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.814 10.162 -0.650 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.111 11.753 1.055 1.00 0.00 C ATOM 456 CD1 ILE A 32 -1.074 11.168 -1.750 1.00 0.00 C ATOM 0 H ILE A 32 -2.609 8.829 0.763 1.00 0.00 H new ATOM 0 HA ILE A 32 0.017 9.136 1.803 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.946 11.246 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.199 9.774 -0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.493 9.318 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.085 12.545 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.050 12.183 2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.082 11.259 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.936 10.690 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.096 11.538 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.378 12.001 -1.653 1.00 0.00 H new ATOM 468 N GLY A 33 -2.518 10.373 3.503 1.00 0.00 N ATOM 469 CA GLY A 33 -2.892 10.929 4.790 1.00 0.00 C ATOM 470 C GLY A 33 -3.637 12.243 4.659 1.00 0.00 C ATOM 471 O GLY A 33 -3.820 12.755 3.556 1.00 0.00 O ATOM 0 H GLY A 33 -3.302 10.135 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.516 10.213 5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.996 11.081 5.391 1.00 0.00 H new ATOM 475 N LYS A 34 -4.070 12.790 5.790 1.00 0.00 N ATOM 476 CA LYS A 34 -4.800 14.052 5.800 1.00 0.00 C ATOM 477 C LYS A 34 -3.896 15.206 5.376 1.00 0.00 C ATOM 478 O LYS A 34 -4.160 15.880 4.382 1.00 0.00 O ATOM 479 CB LYS A 34 -5.372 14.324 7.193 1.00 0.00 C ATOM 480 CG LYS A 34 -6.618 15.192 7.179 1.00 0.00 C ATOM 481 CD LYS A 34 -6.267 16.670 7.181 1.00 0.00 C ATOM 482 CE LYS A 34 -7.503 17.537 7.371 1.00 0.00 C ATOM 483 NZ LYS A 34 -8.091 17.372 8.729 1.00 0.00 N ATOM 0 H LYS A 34 -3.928 12.378 6.712 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.620 13.974 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.607 13.374 7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.609 14.808 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.214 14.960 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.233 14.962 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.552 16.874 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.780 16.930 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.241 18.583 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.248 17.278 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.735 18.164 8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.619 16.477 8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.330 17.360 9.438 1.00 0.00 H new ATOM 497 N ASN A 35 -2.829 15.426 6.137 1.00 0.00 N ATOM 498 CA ASN A 35 -1.886 16.498 5.839 1.00 0.00 C ATOM 499 C ASN A 35 -0.556 15.932 5.350 1.00 0.00 C ATOM 500 O ASN A 35 0.435 16.653 5.243 1.00 0.00 O ATOM 501 CB ASN A 35 -1.659 17.365 7.079 1.00 0.00 C ATOM 502 CG ASN A 35 -2.933 17.585 7.872 1.00 0.00 C ATOM 503 OD1 ASN A 35 -3.842 18.382 7.322 1.00 0.00 O flip ATOM 504 ND2 ASN A 35 -3.099 17.043 8.966 1.00 0.00 N flip ATOM 0 H ASN A 35 -2.596 14.877 6.964 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.312 17.113 5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.914 16.892 7.718 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.252 18.330 6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.373 16.438 9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.962 17.199 9.487 1.00 0.00 H new ATOM 511 N GLY A 36 -0.543 14.636 5.056 1.00 0.00 N ATOM 512 CA GLY A 36 0.670 13.995 4.582 1.00 0.00 C ATOM 513 C GLY A 36 1.469 13.362 5.705 1.00 0.00 C ATOM 514 O GLY A 36 2.659 13.634 5.857 1.00 0.00 O ATOM 0 H GLY A 36 -1.351 14.018 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.411 13.231 3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.290 14.731 4.070 1.00 0.00 H new ATOM 518 N GLU A 37 0.811 12.517 6.492 1.00 0.00 N ATOM 519 CA GLU A 37 1.468 11.846 7.607 1.00 0.00 C ATOM 520 C GLU A 37 1.277 10.334 7.522 1.00 0.00 C ATOM 521 O GLU A 37 2.126 9.563 7.971 1.00 0.00 O ATOM 522 CB GLU A 37 0.919 12.364 8.938 1.00 0.00 C ATOM 523 CG GLU A 37 0.498 13.824 8.895 1.00 0.00 C ATOM 524 CD GLU A 37 0.605 14.502 10.247 1.00 0.00 C ATOM 525 OE1 GLU A 37 1.713 14.961 10.596 1.00 0.00 O ATOM 526 OE2 GLU A 37 -0.421 14.577 10.956 1.00 0.00 O ATOM 0 H GLU A 37 -0.175 12.281 6.378 1.00 0.00 H new ATOM 0 HA GLU A 37 2.534 12.065 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.063 11.756 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.678 12.236 9.709 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.120 14.357 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.530 13.891 8.539 1.00 0.00 H new ATOM 533 N LYS A 38 0.158 9.916 6.941 1.00 0.00 N ATOM 534 CA LYS A 38 -0.147 8.499 6.795 1.00 0.00 C ATOM 535 C LYS A 38 0.976 7.775 6.057 1.00 0.00 C ATOM 536 O LYS A 38 1.670 6.935 6.631 1.00 0.00 O ATOM 537 CB LYS A 38 -1.467 8.314 6.045 1.00 0.00 C ATOM 538 CG LYS A 38 -1.938 6.871 5.989 1.00 0.00 C ATOM 539 CD LYS A 38 -2.415 6.387 7.348 1.00 0.00 C ATOM 540 CE LYS A 38 -2.474 4.869 7.410 1.00 0.00 C ATOM 541 NZ LYS A 38 -1.165 4.278 7.804 1.00 0.00 N ATOM 0 H LYS A 38 -0.554 10.541 6.563 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.241 8.068 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.236 8.920 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.353 8.690 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.747 6.779 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.124 6.235 5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.745 6.758 8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.402 6.799 7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.239 4.564 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.771 4.477 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.948 3.470 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.418 4.996 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.213 3.955 8.791 1.00 0.00 H new ATOM 555 N LEU A 39 1.149 8.108 4.782 1.00 0.00 N ATOM 556 CA LEU A 39 2.189 7.490 3.965 1.00 0.00 C ATOM 557 C LEU A 39 3.531 7.508 4.689 1.00 0.00 C ATOM 558 O LEU A 39 4.252 6.509 4.704 1.00 0.00 O ATOM 559 CB LEU A 39 2.309 8.216 2.624 1.00 0.00 C ATOM 560 CG LEU A 39 3.672 8.132 1.936 1.00 0.00 C ATOM 561 CD1 LEU A 39 3.895 6.742 1.361 1.00 0.00 C ATOM 562 CD2 LEU A 39 3.784 9.186 0.844 1.00 0.00 C ATOM 0 H LEU A 39 0.584 8.801 4.292 1.00 0.00 H new ATOM 0 HA LEU A 39 1.908 6.452 3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.557 7.813 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.067 9.267 2.780 1.00 0.00 H new ATOM 0 HG LEU A 39 4.445 8.324 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.870 6.701 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.859 6.006 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.116 6.521 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.760 9.112 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.002 9.025 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.670 10.177 1.282 1.00 0.00 H new ATOM 574 N GLN A 40 3.860 8.647 5.288 1.00 0.00 N ATOM 575 CA GLN A 40 5.116 8.793 6.014 1.00 0.00 C ATOM 576 C GLN A 40 5.289 7.673 7.035 1.00 0.00 C ATOM 577 O GLN A 40 6.281 6.947 7.012 1.00 0.00 O ATOM 578 CB GLN A 40 5.168 10.152 6.717 1.00 0.00 C ATOM 579 CG GLN A 40 4.805 11.319 5.813 1.00 0.00 C ATOM 580 CD GLN A 40 5.618 11.342 4.535 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.067 11.406 3.435 1.00 0.00 O ATOM 582 NE2 GLN A 40 6.938 11.289 4.671 1.00 0.00 N ATOM 0 H GLN A 40 3.275 9.482 5.285 1.00 0.00 H new ATOM 0 HA GLN A 40 5.932 8.732 5.294 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.488 10.138 7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.171 10.309 7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.745 11.265 5.564 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.958 12.253 6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.353 11.237 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.537 11.301 3.845 1.00 0.00 H new ATOM 591 N ASP A 41 4.315 7.539 7.929 1.00 0.00 N ATOM 592 CA ASP A 41 4.358 6.507 8.958 1.00 0.00 C ATOM 593 C ASP A 41 4.428 5.117 8.331 1.00 0.00 C ATOM 594 O ASP A 41 5.145 4.241 8.816 1.00 0.00 O ATOM 595 CB ASP A 41 3.131 6.608 9.865 1.00 0.00 C ATOM 596 CG ASP A 41 3.383 6.035 11.245 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.437 4.793 11.371 1.00 0.00 O ATOM 598 OD2 ASP A 41 3.526 6.827 12.201 1.00 0.00 O ATOM 0 H ASP A 41 3.486 8.132 7.962 1.00 0.00 H new ATOM 0 HA ASP A 41 5.256 6.663 9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.836 7.653 9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.297 6.081 9.403 1.00 0.00 H new ATOM 603 N LEU A 42 3.679 4.924 7.250 1.00 0.00 N ATOM 604 CA LEU A 42 3.656 3.640 6.557 1.00 0.00 C ATOM 605 C LEU A 42 5.046 3.268 6.052 1.00 0.00 C ATOM 606 O LEU A 42 5.558 2.191 6.352 1.00 0.00 O ATOM 607 CB LEU A 42 2.671 3.688 5.387 1.00 0.00 C ATOM 608 CG LEU A 42 1.229 3.293 5.706 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.351 3.428 4.472 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.174 1.871 6.249 1.00 0.00 C ATOM 0 H LEU A 42 3.081 5.639 6.835 1.00 0.00 H new ATOM 0 HA LEU A 42 3.332 2.878 7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.668 4.700 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.041 3.031 4.600 1.00 0.00 H new ATOM 0 HG LEU A 42 0.849 3.969 6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.671 3.142 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.365 4.462 4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.729 2.777 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.140 1.606 6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.574 1.182 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.769 1.806 7.160 1.00 0.00 H new ATOM 622 N GLU A 43 5.650 4.168 5.283 1.00 0.00 N ATOM 623 CA GLU A 43 6.982 3.935 4.737 1.00 0.00 C ATOM 624 C GLU A 43 7.953 3.508 5.835 1.00 0.00 C ATOM 625 O GLU A 43 8.790 2.628 5.631 1.00 0.00 O ATOM 626 CB GLU A 43 7.501 5.195 4.043 1.00 0.00 C ATOM 627 CG GLU A 43 7.109 5.289 2.578 1.00 0.00 C ATOM 628 CD GLU A 43 7.626 6.552 1.915 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.010 7.620 2.111 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.645 6.470 1.200 1.00 0.00 O ATOM 0 H GLU A 43 5.239 5.065 5.024 1.00 0.00 H new ATOM 0 HA GLU A 43 6.911 3.130 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.122 6.071 4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.588 5.221 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.495 4.420 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.023 5.257 2.494 1.00 0.00 H new ATOM 637 N LEU A 44 7.836 4.140 6.997 1.00 0.00 N ATOM 638 CA LEU A 44 8.704 3.828 8.128 1.00 0.00 C ATOM 639 C LEU A 44 8.314 2.496 8.762 1.00 0.00 C ATOM 640 O LEU A 44 9.077 1.530 8.721 1.00 0.00 O ATOM 641 CB LEU A 44 8.632 4.943 9.174 1.00 0.00 C ATOM 642 CG LEU A 44 9.417 6.215 8.853 1.00 0.00 C ATOM 643 CD1 LEU A 44 8.917 7.378 9.694 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.906 5.993 9.078 1.00 0.00 C ATOM 0 H LEU A 44 7.149 4.871 7.181 1.00 0.00 H new ATOM 0 HA LEU A 44 9.727 3.749 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.586 5.212 9.318 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.993 4.547 10.123 1.00 0.00 H new ATOM 0 HG LEU A 44 9.260 6.460 7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.488 8.274 9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.862 7.552 9.484 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.042 7.143 10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.450 6.908 8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.080 5.723 10.119 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.256 5.188 8.431 1.00 0.00 H new ATOM 656 N LYS A 45 7.120 2.451 9.345 1.00 0.00 N ATOM 657 CA LYS A 45 6.626 1.236 9.984 1.00 0.00 C ATOM 658 C LYS A 45 6.910 0.012 9.119 1.00 0.00 C ATOM 659 O LYS A 45 7.274 -1.048 9.626 1.00 0.00 O ATOM 660 CB LYS A 45 5.124 1.351 10.249 1.00 0.00 C ATOM 661 CG LYS A 45 4.615 0.376 11.298 1.00 0.00 C ATOM 662 CD LYS A 45 3.255 0.790 11.831 1.00 0.00 C ATOM 663 CE LYS A 45 2.153 0.518 10.819 1.00 0.00 C ATOM 664 NZ LYS A 45 0.799 0.704 11.410 1.00 0.00 N ATOM 0 H LYS A 45 6.477 3.242 9.388 1.00 0.00 H new ATOM 0 HA LYS A 45 7.148 1.115 10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.897 2.368 10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.585 1.183 9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.549 -0.623 10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.328 0.321 12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.045 0.249 12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.268 1.851 12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.271 1.185 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.248 -0.501 10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.076 0.509 10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.676 0.050 12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.698 1.683 11.746 1.00 0.00 H new ATOM 678 N THR A 46 6.739 0.167 7.809 1.00 0.00 N ATOM 679 CA THR A 46 6.977 -0.925 6.874 1.00 0.00 C ATOM 680 C THR A 46 8.390 -0.867 6.307 1.00 0.00 C ATOM 681 O THR A 46 8.902 -1.857 5.787 1.00 0.00 O ATOM 682 CB THR A 46 5.967 -0.897 5.710 1.00 0.00 C ATOM 683 OG1 THR A 46 6.203 0.249 4.885 1.00 0.00 O ATOM 684 CG2 THR A 46 4.540 -0.867 6.233 1.00 0.00 C ATOM 0 H THR A 46 6.437 1.038 7.373 1.00 0.00 H new ATOM 0 HA THR A 46 6.852 -1.852 7.433 1.00 0.00 H new ATOM 0 HB THR A 46 6.101 -1.803 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.695 1.012 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.845 -0.848 5.393 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.355 -1.756 6.837 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.395 0.024 6.844 1.00 0.00 H new ATOM 692 N ALA A 47 9.017 0.302 6.410 1.00 0.00 N ATOM 693 CA ALA A 47 10.373 0.488 5.910 1.00 0.00 C ATOM 694 C ALA A 47 10.458 0.167 4.422 1.00 0.00 C ATOM 695 O ALA A 47 11.479 -0.324 3.940 1.00 0.00 O ATOM 696 CB ALA A 47 11.348 -0.375 6.696 1.00 0.00 C ATOM 0 H ALA A 47 8.607 1.133 6.835 1.00 0.00 H new ATOM 0 HA ALA A 47 10.643 1.535 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.357 -0.226 6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.315 -0.094 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.071 -1.424 6.592 1.00 0.00 H new ATOM 702 N THR A 48 9.378 0.445 3.698 1.00 0.00 N ATOM 703 CA THR A 48 9.331 0.182 2.265 1.00 0.00 C ATOM 704 C THR A 48 9.358 1.481 1.468 1.00 0.00 C ATOM 705 O THR A 48 9.341 2.573 2.037 1.00 0.00 O ATOM 706 CB THR A 48 8.071 -0.616 1.882 1.00 0.00 C ATOM 707 OG1 THR A 48 6.896 0.130 2.218 1.00 0.00 O ATOM 708 CG2 THR A 48 8.045 -1.961 2.593 1.00 0.00 C ATOM 0 H THR A 48 8.525 0.852 4.081 1.00 0.00 H new ATOM 0 HA THR A 48 10.214 -0.409 2.022 1.00 0.00 H new ATOM 0 HB THR A 48 8.093 -0.792 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.754 0.098 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.146 -2.507 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.925 -2.539 2.311 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.045 -1.803 3.671 1.00 0.00 H new ATOM 716 N LYS A 49 9.399 1.358 0.145 1.00 0.00 N ATOM 717 CA LYS A 49 9.426 2.521 -0.732 1.00 0.00 C ATOM 718 C LYS A 49 8.112 2.660 -1.493 1.00 0.00 C ATOM 719 O LYS A 49 7.964 2.132 -2.595 1.00 0.00 O ATOM 720 CB LYS A 49 10.590 2.415 -1.719 1.00 0.00 C ATOM 721 CG LYS A 49 11.879 3.037 -1.210 1.00 0.00 C ATOM 722 CD LYS A 49 11.982 4.503 -1.601 1.00 0.00 C ATOM 723 CE LYS A 49 12.227 4.666 -3.093 1.00 0.00 C ATOM 724 NZ LYS A 49 12.779 6.010 -3.420 1.00 0.00 N ATOM 0 H LYS A 49 9.414 0.462 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 49 9.562 3.408 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.769 1.364 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.308 2.899 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.925 2.945 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.732 2.491 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.063 5.020 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.793 4.973 -1.045 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.919 3.896 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.292 4.516 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.932 6.082 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.107 6.744 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.684 6.144 -2.925 1.00 0.00 H new ATOM 738 N ILE A 50 7.161 3.373 -0.899 1.00 0.00 N ATOM 739 CA ILE A 50 5.860 3.583 -1.523 1.00 0.00 C ATOM 740 C ILE A 50 5.899 4.758 -2.493 1.00 0.00 C ATOM 741 O ILE A 50 6.229 5.880 -2.110 1.00 0.00 O ATOM 742 CB ILE A 50 4.766 3.836 -0.470 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.689 2.664 0.511 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.421 4.056 -1.147 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.932 2.988 1.780 1.00 0.00 C ATOM 0 H ILE A 50 7.267 3.815 0.014 1.00 0.00 H new ATOM 0 HA ILE A 50 5.621 2.671 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 50 5.022 4.736 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.210 1.818 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.700 2.351 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.657 4.234 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.484 4.920 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.157 3.172 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.917 2.112 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.423 3.813 2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.910 3.273 1.531 1.00 0.00 H new ATOM 757 N GLN A 51 5.559 4.492 -3.751 1.00 0.00 N ATOM 758 CA GLN A 51 5.553 5.529 -4.775 1.00 0.00 C ATOM 759 C GLN A 51 4.149 5.735 -5.334 1.00 0.00 C ATOM 760 O GLN A 51 3.534 4.804 -5.854 1.00 0.00 O ATOM 761 CB GLN A 51 6.516 5.162 -5.906 1.00 0.00 C ATOM 762 CG GLN A 51 7.113 6.369 -6.612 1.00 0.00 C ATOM 763 CD GLN A 51 8.260 5.999 -7.532 1.00 0.00 C ATOM 764 OE1 GLN A 51 9.421 6.293 -7.244 1.00 0.00 O ATOM 765 NE2 GLN A 51 7.941 5.349 -8.645 1.00 0.00 N ATOM 0 H GLN A 51 5.285 3.568 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 51 5.881 6.461 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.324 4.552 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.989 4.548 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.335 6.868 -7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.465 7.083 -5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.966 5.126 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.671 5.073 -9.301 1.00 0.00 H new ATOM 774 N ILE A 52 3.648 6.961 -5.222 1.00 0.00 N ATOM 775 CA ILE A 52 2.317 7.288 -5.717 1.00 0.00 C ATOM 776 C ILE A 52 2.391 8.228 -6.916 1.00 0.00 C ATOM 777 O ILE A 52 2.975 9.310 -6.852 1.00 0.00 O ATOM 778 CB ILE A 52 1.453 7.941 -4.621 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.401 7.045 -3.381 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.051 8.215 -5.143 1.00 0.00 C ATOM 781 CD1 ILE A 52 0.916 7.759 -2.140 1.00 0.00 C ATOM 0 H ILE A 52 4.143 7.743 -4.793 1.00 0.00 H new ATOM 0 HA ILE A 52 1.855 6.349 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 52 1.906 8.892 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.746 6.198 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.396 6.641 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.546 8.676 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.106 8.888 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.413 7.277 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.905 7.063 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.584 8.590 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.091 8.139 -2.309 1.00 0.00 H new ATOM 793 N PRO A 53 1.785 7.807 -8.036 1.00 0.00 N ATOM 794 CA PRO A 53 1.766 8.598 -9.270 1.00 0.00 C ATOM 795 C PRO A 53 0.895 9.843 -9.149 1.00 0.00 C ATOM 796 O PRO A 53 -0.130 9.830 -8.467 1.00 0.00 O ATOM 797 CB PRO A 53 1.178 7.632 -10.301 1.00 0.00 C ATOM 798 CG PRO A 53 0.361 6.675 -9.501 1.00 0.00 C ATOM 799 CD PRO A 53 1.070 6.529 -8.183 1.00 0.00 C ATOM 0 HA PRO A 53 2.757 8.970 -9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.566 8.159 -11.033 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.963 7.116 -10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.653 7.050 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.278 5.714 -10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.368 6.365 -7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.757 5.683 -8.188 1.00 0.00 H new ATOM 807 N ARG A 54 1.308 10.917 -9.815 1.00 0.00 N ATOM 808 CA ARG A 54 0.565 12.170 -9.780 1.00 0.00 C ATOM 809 C ARG A 54 -0.910 11.936 -10.092 1.00 0.00 C ATOM 810 O ARG A 54 -1.297 10.910 -10.652 1.00 0.00 O ATOM 811 CB ARG A 54 1.156 13.166 -10.779 1.00 0.00 C ATOM 812 CG ARG A 54 2.246 14.047 -10.188 1.00 0.00 C ATOM 813 CD ARG A 54 2.800 15.015 -11.221 1.00 0.00 C ATOM 814 NE ARG A 54 2.012 16.243 -11.299 1.00 0.00 N ATOM 815 CZ ARG A 54 2.008 17.174 -10.351 1.00 0.00 C ATOM 816 NH1 ARG A 54 2.744 17.019 -9.261 1.00 0.00 N ATOM 817 NH2 ARG A 54 1.265 18.264 -10.496 1.00 0.00 N ATOM 0 H ARG A 54 2.153 10.944 -10.385 1.00 0.00 H new ATOM 0 HA ARG A 54 0.645 12.583 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.564 12.617 -11.628 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.357 13.800 -11.163 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.845 14.606 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.052 13.422 -9.804 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.832 15.262 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.816 14.532 -12.198 1.00 0.00 H new ATOM 0 HE ARG A 54 1.434 16.394 -12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.317 16.183 -9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.738 17.736 -8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.698 18.387 -11.335 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.261 18.979 -9.769 1.00 0.00 H new ATOM 831 N PRO A 55 -1.755 12.910 -9.722 1.00 0.00 N ATOM 832 CA PRO A 55 -3.201 12.833 -9.952 1.00 0.00 C ATOM 833 C PRO A 55 -3.559 12.949 -11.430 1.00 0.00 C ATOM 834 O PRO A 55 -4.626 12.506 -11.857 1.00 0.00 O ATOM 835 CB PRO A 55 -3.748 14.032 -9.174 1.00 0.00 C ATOM 836 CG PRO A 55 -2.614 14.996 -9.115 1.00 0.00 C ATOM 837 CD PRO A 55 -1.365 14.161 -9.051 1.00 0.00 C ATOM 0 HA PRO A 55 -3.614 11.876 -9.633 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.612 14.468 -9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.072 13.741 -8.175 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.606 15.644 -9.992 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.696 15.643 -8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.531 14.646 -9.559 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.052 13.984 -8.022 1.00 0.00 H new ATOM 845 N ASP A 56 -2.663 13.547 -12.207 1.00 0.00 N ATOM 846 CA ASP A 56 -2.884 13.719 -13.637 1.00 0.00 C ATOM 847 C ASP A 56 -2.357 12.519 -14.418 1.00 0.00 C ATOM 848 O ASP A 56 -2.846 12.208 -15.504 1.00 0.00 O ATOM 849 CB ASP A 56 -2.208 15.000 -14.129 1.00 0.00 C ATOM 850 CG ASP A 56 -3.030 16.239 -13.835 1.00 0.00 C ATOM 851 OD1 ASP A 56 -4.171 16.327 -14.337 1.00 0.00 O ATOM 852 OD2 ASP A 56 -2.534 17.120 -13.103 1.00 0.00 O ATOM 0 H ASP A 56 -1.776 13.921 -11.870 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.958 13.796 -13.806 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.230 15.096 -13.656 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.037 14.928 -15.203 1.00 0.00 H new ATOM 857 N ASP A 57 -1.355 11.849 -13.857 1.00 0.00 N ATOM 858 CA ASP A 57 -0.762 10.683 -14.501 1.00 0.00 C ATOM 859 C ASP A 57 -1.787 9.564 -14.650 1.00 0.00 C ATOM 860 O ASP A 57 -2.617 9.327 -13.771 1.00 0.00 O ATOM 861 CB ASP A 57 0.439 10.186 -13.694 1.00 0.00 C ATOM 862 CG ASP A 57 1.494 9.533 -14.568 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.252 10.270 -15.231 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.559 8.286 -14.588 1.00 0.00 O ATOM 0 H ASP A 57 -0.937 12.093 -12.959 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.427 10.979 -15.495 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.884 11.024 -13.157 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.099 9.471 -12.945 1.00 0.00 H new ATOM 869 N PRO A 58 -1.731 8.858 -15.790 1.00 0.00 N ATOM 870 CA PRO A 58 -2.649 7.753 -16.082 1.00 0.00 C ATOM 871 C PRO A 58 -2.388 6.536 -15.200 1.00 0.00 C ATOM 872 O PRO A 58 -3.030 5.497 -15.356 1.00 0.00 O ATOM 873 CB PRO A 58 -2.352 7.424 -17.547 1.00 0.00 C ATOM 874 CG PRO A 58 -0.952 7.881 -17.763 1.00 0.00 C ATOM 875 CD PRO A 58 -0.768 9.085 -16.880 1.00 0.00 C ATOM 0 HA PRO A 58 -3.688 8.024 -15.894 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.454 6.356 -17.741 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.043 7.937 -18.216 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.241 7.096 -17.505 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.781 8.135 -18.809 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.253 9.157 -16.506 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.977 10.011 -17.415 1.00 0.00 H new ATOM 883 N SER A 59 -1.444 6.671 -14.275 1.00 0.00 N ATOM 884 CA SER A 59 -1.097 5.581 -13.372 1.00 0.00 C ATOM 885 C SER A 59 -1.842 5.715 -12.047 1.00 0.00 C ATOM 886 O SER A 59 -1.812 6.766 -11.409 1.00 0.00 O ATOM 887 CB SER A 59 0.413 5.560 -13.120 1.00 0.00 C ATOM 888 OG SER A 59 1.125 5.287 -14.313 1.00 0.00 O ATOM 0 H SER A 59 -0.905 7.525 -14.131 1.00 0.00 H new ATOM 0 HA SER A 59 -1.393 4.644 -13.843 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.731 6.521 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.649 4.804 -12.371 1.00 0.00 H new ATOM 0 HG SER A 59 1.426 6.129 -14.714 1.00 0.00 H new ATOM 894 N ASN A 60 -2.512 4.641 -11.642 1.00 0.00 N ATOM 895 CA ASN A 60 -3.268 4.637 -10.395 1.00 0.00 C ATOM 896 C ASN A 60 -2.851 3.466 -9.510 1.00 0.00 C ATOM 897 O ASN A 60 -3.493 3.181 -8.498 1.00 0.00 O ATOM 898 CB ASN A 60 -4.769 4.565 -10.683 1.00 0.00 C ATOM 899 CG ASN A 60 -5.177 3.235 -11.289 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.631 2.809 -12.306 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.144 2.573 -10.663 1.00 0.00 N ATOM 0 H ASN A 60 -2.547 3.762 -12.159 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.052 5.565 -9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.322 4.725 -9.757 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.045 5.371 -11.363 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.462 1.673 -11.023 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.568 2.965 -9.822 1.00 0.00 H new ATOM 908 N GLN A 61 -1.775 2.791 -9.899 1.00 0.00 N ATOM 909 CA GLN A 61 -1.273 1.651 -9.141 1.00 0.00 C ATOM 910 C GLN A 61 -0.038 2.036 -8.332 1.00 0.00 C ATOM 911 O GLN A 61 0.958 2.501 -8.885 1.00 0.00 O ATOM 912 CB GLN A 61 -0.940 0.492 -10.083 1.00 0.00 C ATOM 913 CG GLN A 61 -2.083 0.115 -11.011 1.00 0.00 C ATOM 914 CD GLN A 61 -1.979 -1.312 -11.512 1.00 0.00 C ATOM 915 OE1 GLN A 61 -1.920 -2.262 -10.587 1.00 0.00 O flip ATOM 916 NE2 GLN A 61 -1.954 -1.558 -12.719 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.234 3.013 -10.734 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.054 1.335 -8.449 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.070 0.760 -10.682 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.662 -0.379 -9.490 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.030 0.244 -10.487 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.095 0.795 -11.862 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.002 -0.796 -13.396 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.886 -2.523 -13.041 1.00 0.00 H new ATOM 925 N ILE A 62 -0.113 1.839 -7.020 1.00 0.00 N ATOM 926 CA ILE A 62 0.999 2.164 -6.135 1.00 0.00 C ATOM 927 C ILE A 62 2.058 1.068 -6.156 1.00 0.00 C ATOM 928 O ILE A 62 1.745 -0.110 -6.337 1.00 0.00 O ATOM 929 CB ILE A 62 0.522 2.375 -4.686 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.164 3.734 -4.544 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.694 2.263 -3.721 1.00 0.00 C ATOM 932 CD1 ILE A 62 -0.827 3.939 -3.199 1.00 0.00 C ATOM 0 H ILE A 62 -0.931 1.456 -6.547 1.00 0.00 H new ATOM 0 HA ILE A 62 1.435 3.092 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.201 1.597 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.573 4.522 -4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.913 3.837 -5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.341 2.414 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.143 1.273 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.439 3.021 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.293 4.924 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.587 3.173 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.079 3.868 -2.410 1.00 0.00 H new ATOM 944 N LYS A 63 3.313 1.461 -5.968 1.00 0.00 N ATOM 945 CA LYS A 63 4.420 0.512 -5.962 1.00 0.00 C ATOM 946 C LYS A 63 5.008 0.371 -4.561 1.00 0.00 C ATOM 947 O LYS A 63 5.260 1.366 -3.882 1.00 0.00 O ATOM 948 CB LYS A 63 5.508 0.960 -6.941 1.00 0.00 C ATOM 949 CG LYS A 63 6.586 -0.085 -7.171 1.00 0.00 C ATOM 950 CD LYS A 63 7.847 0.533 -7.753 1.00 0.00 C ATOM 951 CE LYS A 63 8.726 -0.515 -8.418 1.00 0.00 C ATOM 952 NZ LYS A 63 9.765 0.104 -9.286 1.00 0.00 N ATOM 0 H LYS A 63 3.589 2.431 -5.818 1.00 0.00 H new ATOM 0 HA LYS A 63 4.036 -0.459 -6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.046 1.209 -7.896 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.972 1.871 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.823 -0.578 -6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.211 -0.853 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.576 1.297 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.408 1.031 -6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.207 -1.124 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.106 -1.184 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.344 -0.643 -9.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.305 0.665 -10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.373 0.723 -8.712 1.00 0.00 H new ATOM 966 N ILE A 64 5.226 -0.870 -4.139 1.00 0.00 N ATOM 967 CA ILE A 64 5.787 -1.139 -2.821 1.00 0.00 C ATOM 968 C ILE A 64 6.998 -2.061 -2.916 1.00 0.00 C ATOM 969 O ILE A 64 6.884 -3.213 -3.340 1.00 0.00 O ATOM 970 CB ILE A 64 4.744 -1.776 -1.884 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.708 -2.557 -2.695 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.066 -0.705 -1.041 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.741 -3.346 -1.839 1.00 0.00 C ATOM 0 H ILE A 64 5.023 -1.704 -4.690 1.00 0.00 H new ATOM 0 HA ILE A 64 6.096 -0.179 -2.408 1.00 0.00 H new ATOM 0 HB ILE A 64 5.253 -2.470 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.145 -1.861 -3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.225 -3.240 -3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.331 -1.170 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.814 -0.187 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.567 0.010 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.035 -3.875 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.293 -4.067 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.197 -2.666 -1.184 1.00 0.00 H new ATOM 985 N THR A 65 8.158 -1.550 -2.519 1.00 0.00 N ATOM 986 CA THR A 65 9.390 -2.327 -2.559 1.00 0.00 C ATOM 987 C THR A 65 10.046 -2.390 -1.184 1.00 0.00 C ATOM 988 O THR A 65 10.001 -1.427 -0.420 1.00 0.00 O ATOM 989 CB THR A 65 10.394 -1.737 -3.568 1.00 0.00 C ATOM 990 OG1 THR A 65 9.777 -1.609 -4.854 1.00 0.00 O ATOM 991 CG2 THR A 65 11.630 -2.618 -3.679 1.00 0.00 C ATOM 0 H THR A 65 8.270 -0.600 -2.165 1.00 0.00 H new ATOM 0 HA THR A 65 9.118 -3.334 -2.875 1.00 0.00 H new ATOM 0 HB THR A 65 10.699 -0.753 -3.212 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.421 -1.232 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.325 -2.182 -4.397 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.113 -2.691 -2.705 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.339 -3.613 -4.015 1.00 0.00 H new ATOM 999 N GLY A 66 10.658 -3.529 -0.876 1.00 0.00 N ATOM 1000 CA GLY A 66 11.315 -3.695 0.407 1.00 0.00 C ATOM 1001 C GLY A 66 11.439 -5.151 0.811 1.00 0.00 C ATOM 1002 O GLY A 66 11.633 -6.024 -0.035 1.00 0.00 O ATOM 0 H GLY A 66 10.711 -4.340 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.308 -3.247 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.755 -3.156 1.171 1.00 0.00 H new ATOM 1006 N THR A 67 11.328 -5.415 2.110 1.00 0.00 N ATOM 1007 CA THR A 67 11.431 -6.774 2.625 1.00 0.00 C ATOM 1008 C THR A 67 10.105 -7.514 2.494 1.00 0.00 C ATOM 1009 O THR A 67 9.036 -6.935 2.695 1.00 0.00 O ATOM 1010 CB THR A 67 11.868 -6.783 4.102 1.00 0.00 C ATOM 1011 OG1 THR A 67 10.929 -6.046 4.895 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.255 -6.179 4.260 1.00 0.00 C ATOM 0 H THR A 67 11.167 -4.705 2.824 1.00 0.00 H new ATOM 0 HA THR A 67 12.187 -7.282 2.027 1.00 0.00 H new ATOM 0 HB THR A 67 11.899 -7.818 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.213 -6.058 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.542 -6.196 5.311 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.972 -6.758 3.679 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.246 -5.149 3.903 1.00 0.00 H new ATOM 1020 N LYS A 68 10.179 -8.796 2.158 1.00 0.00 N ATOM 1021 CA LYS A 68 8.984 -9.617 2.003 1.00 0.00 C ATOM 1022 C LYS A 68 7.938 -9.261 3.054 1.00 0.00 C ATOM 1023 O LYS A 68 6.737 -9.315 2.792 1.00 0.00 O ATOM 1024 CB LYS A 68 9.342 -11.102 2.107 1.00 0.00 C ATOM 1025 CG LYS A 68 8.402 -12.011 1.334 1.00 0.00 C ATOM 1026 CD LYS A 68 8.947 -13.426 1.240 1.00 0.00 C ATOM 1027 CE LYS A 68 7.958 -14.360 0.558 1.00 0.00 C ATOM 1028 NZ LYS A 68 6.929 -14.866 1.508 1.00 0.00 N ATOM 0 H LYS A 68 11.055 -9.290 1.987 1.00 0.00 H new ATOM 0 HA LYS A 68 8.564 -9.419 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.358 -11.248 1.741 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.336 -11.396 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.427 -12.027 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.250 -11.611 0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.885 -13.420 0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.171 -13.798 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.468 -13.835 -0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.495 -15.202 0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.274 -15.499 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.394 -15.389 2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.399 -14.064 1.905 1.00 0.00 H new ATOM 1042 N GLU A 69 8.404 -8.898 4.245 1.00 0.00 N ATOM 1043 CA GLU A 69 7.507 -8.532 5.336 1.00 0.00 C ATOM 1044 C GLU A 69 7.099 -7.065 5.236 1.00 0.00 C ATOM 1045 O GLU A 69 5.939 -6.717 5.453 1.00 0.00 O ATOM 1046 CB GLU A 69 8.177 -8.797 6.686 1.00 0.00 C ATOM 1047 CG GLU A 69 8.546 -10.254 6.909 1.00 0.00 C ATOM 1048 CD GLU A 69 7.384 -11.077 7.430 1.00 0.00 C ATOM 1049 OE1 GLU A 69 7.008 -10.892 8.607 1.00 0.00 O ATOM 1050 OE2 GLU A 69 6.851 -11.905 6.663 1.00 0.00 O ATOM 0 H GLU A 69 9.396 -8.849 4.479 1.00 0.00 H new ATOM 0 HA GLU A 69 6.610 -9.146 5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.078 -8.188 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.507 -8.475 7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.899 -10.683 5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.373 -10.311 7.617 1.00 0.00 H new ATOM 1057 N GLY A 70 8.063 -6.210 4.907 1.00 0.00 N ATOM 1058 CA GLY A 70 7.784 -4.791 4.785 1.00 0.00 C ATOM 1059 C GLY A 70 6.698 -4.498 3.769 1.00 0.00 C ATOM 1060 O GLY A 70 5.708 -3.836 4.082 1.00 0.00 O ATOM 0 H GLY A 70 9.031 -6.474 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.484 -4.398 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.696 -4.268 4.498 1.00 0.00 H new ATOM 1064 N ILE A 71 6.884 -4.991 2.549 1.00 0.00 N ATOM 1065 CA ILE A 71 5.913 -4.777 1.484 1.00 0.00 C ATOM 1066 C ILE A 71 4.535 -5.299 1.882 1.00 0.00 C ATOM 1067 O ILE A 71 3.541 -4.581 1.798 1.00 0.00 O ATOM 1068 CB ILE A 71 6.350 -5.464 0.177 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.724 -4.951 -0.259 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.319 -5.227 -0.917 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.345 -5.760 -1.376 1.00 0.00 C ATOM 0 H ILE A 71 7.698 -5.541 2.274 1.00 0.00 H new ATOM 0 HA ILE A 71 5.858 -3.701 1.319 1.00 0.00 H new ATOM 0 HB ILE A 71 6.422 -6.537 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.630 -3.914 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.395 -4.958 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.642 -5.719 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.358 -5.636 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.218 -4.157 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.317 -5.339 -1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.471 -6.793 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.695 -5.732 -2.250 1.00 0.00 H new ATOM 1083 N GLU A 72 4.489 -6.554 2.319 1.00 0.00 N ATOM 1084 CA GLU A 72 3.233 -7.171 2.732 1.00 0.00 C ATOM 1085 C GLU A 72 2.459 -6.253 3.674 1.00 0.00 C ATOM 1086 O GLU A 72 1.282 -5.967 3.452 1.00 0.00 O ATOM 1087 CB GLU A 72 3.500 -8.513 3.417 1.00 0.00 C ATOM 1088 CG GLU A 72 3.919 -9.614 2.456 1.00 0.00 C ATOM 1089 CD GLU A 72 4.349 -10.880 3.171 1.00 0.00 C ATOM 1090 OE1 GLU A 72 3.652 -11.287 4.125 1.00 0.00 O ATOM 1091 OE2 GLU A 72 5.380 -11.464 2.778 1.00 0.00 O ATOM 0 H GLU A 72 5.304 -7.162 2.396 1.00 0.00 H new ATOM 0 HA GLU A 72 2.630 -7.339 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.280 -8.380 4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.600 -8.827 3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.089 -9.843 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.740 -9.256 1.834 1.00 0.00 H new ATOM 1098 N LYS A 73 3.129 -5.794 4.726 1.00 0.00 N ATOM 1099 CA LYS A 73 2.506 -4.907 5.702 1.00 0.00 C ATOM 1100 C LYS A 73 1.825 -3.730 5.011 1.00 0.00 C ATOM 1101 O LYS A 73 0.630 -3.499 5.192 1.00 0.00 O ATOM 1102 CB LYS A 73 3.551 -4.394 6.695 1.00 0.00 C ATOM 1103 CG LYS A 73 3.895 -5.394 7.787 1.00 0.00 C ATOM 1104 CD LYS A 73 5.193 -5.030 8.486 1.00 0.00 C ATOM 1105 CE LYS A 73 4.974 -3.966 9.552 1.00 0.00 C ATOM 1106 NZ LYS A 73 6.204 -3.722 10.355 1.00 0.00 N ATOM 0 H LYS A 73 4.103 -6.022 4.925 1.00 0.00 H new ATOM 0 HA LYS A 73 1.749 -5.476 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.460 -4.135 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.183 -3.477 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.086 -5.431 8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.980 -6.391 7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.623 -5.921 8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.913 -4.668 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.660 -3.036 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.165 -4.276 10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.968 -3.746 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.907 -4.459 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.597 -2.790 10.113 1.00 0.00 H new ATOM 1120 N ALA A 74 2.593 -2.990 4.218 1.00 0.00 N ATOM 1121 CA ALA A 74 2.062 -1.839 3.498 1.00 0.00 C ATOM 1122 C ALA A 74 0.938 -2.253 2.554 1.00 0.00 C ATOM 1123 O ALA A 74 -0.039 -1.524 2.379 1.00 0.00 O ATOM 1124 CB ALA A 74 3.172 -1.143 2.725 1.00 0.00 C ATOM 0 H ALA A 74 3.585 -3.167 4.058 1.00 0.00 H new ATOM 0 HA ALA A 74 1.650 -1.143 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.762 -0.285 2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.942 -0.805 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.609 -1.840 2.010 1.00 0.00 H new ATOM 1130 N ARG A 75 1.082 -3.427 1.949 1.00 0.00 N ATOM 1131 CA ARG A 75 0.079 -3.936 1.022 1.00 0.00 C ATOM 1132 C ARG A 75 -1.219 -4.267 1.752 1.00 0.00 C ATOM 1133 O ARG A 75 -2.310 -4.105 1.205 1.00 0.00 O ATOM 1134 CB ARG A 75 0.603 -5.181 0.303 1.00 0.00 C ATOM 1135 CG ARG A 75 0.028 -5.367 -1.093 1.00 0.00 C ATOM 1136 CD ARG A 75 0.482 -6.678 -1.711 1.00 0.00 C ATOM 1137 NE ARG A 75 -0.088 -6.883 -3.041 1.00 0.00 N ATOM 1138 CZ ARG A 75 -0.228 -8.077 -3.605 1.00 0.00 C ATOM 1139 NH1 ARG A 75 0.159 -9.169 -2.960 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -0.755 -8.181 -4.818 1.00 0.00 N ATOM 0 H ARG A 75 1.883 -4.043 2.084 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.126 -3.158 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.689 -5.120 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.371 -6.061 0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.061 -5.344 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.337 -4.537 -1.729 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.570 -6.690 -1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.193 -7.504 -1.061 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.395 -6.064 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.566 -9.093 -2.028 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.050 -10.085 -3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.053 -7.343 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.862 -9.099 -5.251 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.093 -4.732 2.991 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.256 -5.085 3.797 1.00 0.00 C ATOM 1156 C HIS A 76 -2.975 -3.834 4.291 1.00 0.00 C ATOM 1157 O HIS A 76 -4.192 -3.839 4.476 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.835 -5.948 4.987 1.00 0.00 C ATOM 1159 CG HIS A 76 -2.979 -6.649 5.653 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.728 -7.626 5.033 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.500 -6.510 6.895 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.661 -8.056 5.862 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.544 -7.395 7.000 1.00 0.00 N ATOM 0 H HIS A 76 -0.197 -4.873 3.458 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.943 -5.653 3.170 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.112 -6.690 4.649 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.328 -5.320 5.720 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.158 -5.829 7.661 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.395 -8.818 5.647 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.134 -7.522 7.823 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.215 -2.764 4.503 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.780 -1.507 4.976 1.00 0.00 C ATOM 1173 C GLU A 77 -3.439 -0.742 3.833 1.00 0.00 C ATOM 1174 O GLU A 77 -4.551 -0.230 3.972 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.694 -0.644 5.623 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.207 -1.179 6.960 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.255 -1.066 8.049 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.090 -0.140 7.976 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.240 -1.903 8.976 1.00 0.00 O ATOM 0 H GLU A 77 -1.206 -2.743 4.354 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.541 -1.739 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.847 -0.569 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.080 0.366 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.918 -2.224 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.314 -0.633 7.262 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.745 -0.666 2.702 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.262 0.036 1.533 1.00 0.00 C ATOM 1188 C VAL A 78 -4.532 -0.626 1.011 1.00 0.00 C ATOM 1189 O VAL A 78 -5.466 0.051 0.579 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.219 0.085 0.400 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.176 -1.241 -0.344 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.521 1.232 -0.552 1.00 0.00 C ATOM 0 H VAL A 78 -1.823 -1.082 2.570 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.490 1.053 1.851 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.237 0.258 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.434 -1.187 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.908 -2.038 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.156 -1.449 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.775 1.252 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.510 1.093 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.495 2.175 -0.006 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.561 -1.953 1.054 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.717 -2.710 0.586 1.00 0.00 C ATOM 1204 C LEU A 79 -6.891 -2.559 1.548 1.00 0.00 C ATOM 1205 O LEU A 79 -8.038 -2.402 1.124 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.356 -4.188 0.429 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.709 -4.585 -0.898 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.908 -5.867 -0.739 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.768 -4.746 -1.979 1.00 0.00 C ATOM 0 H LEU A 79 -3.797 -2.528 1.408 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.013 -2.312 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.678 -4.463 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.263 -4.778 0.559 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.027 -3.790 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.455 -6.134 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.125 -5.717 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.569 -6.671 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.290 -5.029 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.475 -5.522 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.299 -3.803 -2.112 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.599 -2.607 2.842 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.631 -2.475 3.865 1.00 0.00 C ATOM 1223 C LEU A 80 -8.376 -1.153 3.718 1.00 0.00 C ATOM 1224 O LEU A 80 -9.606 -1.125 3.666 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.009 -2.570 5.259 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.878 -3.979 5.841 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.131 -3.942 7.165 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.250 -4.613 6.018 1.00 0.00 C ATOM 0 H LEU A 80 -5.656 -2.736 3.209 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.344 -3.289 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.017 -2.119 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.608 -1.970 5.944 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.306 -4.589 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.047 -4.953 7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.134 -3.530 7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.675 -3.317 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.137 -5.615 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.847 -4.004 6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.750 -4.675 5.051 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.624 -0.059 3.648 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.214 1.266 3.503 1.00 0.00 C ATOM 1242 C ILE A 81 -9.003 1.377 2.203 1.00 0.00 C ATOM 1243 O ILE A 81 -10.190 1.700 2.211 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.138 2.367 3.534 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.293 2.249 4.804 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.785 3.742 3.447 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.898 2.814 4.657 1.00 0.00 C ATOM 0 H ILE A 81 -6.605 -0.065 3.689 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.889 1.406 4.347 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.483 2.240 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.801 2.766 5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.223 1.199 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.012 4.510 3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.348 3.821 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.460 3.881 4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.357 2.696 5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.371 2.281 3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.959 3.872 4.404 1.00 0.00 H new ATOM 1259 N SER A 82 -8.334 1.105 1.087 1.00 0.00 N ATOM 1260 CA SER A 82 -8.971 1.177 -0.223 1.00 0.00 C ATOM 1261 C SER A 82 -10.269 0.374 -0.240 1.00 0.00 C ATOM 1262 O SER A 82 -11.297 0.847 -0.725 1.00 0.00 O ATOM 1263 CB SER A 82 -8.022 0.656 -1.304 1.00 0.00 C ATOM 1264 OG SER A 82 -7.587 -0.660 -1.010 1.00 0.00 O ATOM 0 H SER A 82 -7.351 0.833 1.064 1.00 0.00 H new ATOM 0 HA SER A 82 -9.207 2.221 -0.429 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.525 0.668 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.160 1.318 -1.385 1.00 0.00 H new ATOM 0 HG SER A 82 -6.883 -0.627 -0.329 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.213 -0.841 0.294 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.383 -1.709 0.343 1.00 0.00 C ATOM 1272 C ALA A 83 -12.536 -1.035 1.078 1.00 0.00 C ATOM 1273 O ALA A 83 -13.641 -0.924 0.548 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.031 -3.031 1.007 1.00 0.00 C ATOM 0 H ALA A 83 -9.370 -1.247 0.699 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.704 -1.904 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.914 -3.670 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.244 -3.526 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.682 -2.846 2.023 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.271 -0.588 2.301 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.289 0.074 3.110 1.00 0.00 C ATOM 1282 C GLU A 84 -13.997 1.162 2.308 1.00 0.00 C ATOM 1283 O GLU A 84 -15.223 1.267 2.335 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.660 0.678 4.366 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.612 -0.280 5.545 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.914 -0.320 6.319 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.952 -0.669 5.718 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -13.897 -0.001 7.525 1.00 0.00 O ATOM 0 H GLU A 84 -11.361 -0.672 2.754 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.026 -0.673 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.647 1.005 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.223 1.566 4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.377 -1.282 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.805 0.015 6.215 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.216 1.968 1.596 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.768 3.049 0.788 1.00 0.00 C ATOM 1297 C GLN A 85 -14.682 2.500 -0.303 1.00 0.00 C ATOM 1298 O GLN A 85 -15.694 3.112 -0.643 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.641 3.872 0.161 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.671 4.450 1.178 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.360 5.315 2.215 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.497 5.748 2.023 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.673 5.573 3.323 1.00 0.00 N ATOM 0 H GLN A 85 -12.199 1.893 1.562 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.358 3.693 1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.089 3.244 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.076 4.687 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.148 3.636 1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.917 5.042 0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.733 5.194 3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.085 6.150 4.056 1.00 0.00 H new