USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 625 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 79 LYS NZ :NH3+ 143:sc= 0.353 (180deg=0.0697) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot 180:sc= -0.169 USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 29 THR OG1 : rot 80:sc= 1.15 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= -2.59! USER MOD Single : A 20 MET CE :methyl -166:sc= -0.0173 (180deg=-0.303) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.424 (180deg=-0.891) USER MOD Single : A 24 CYS SG : rot 101:sc= -3.23! USER MOD Single : A 32 CYS SG : rot 85:sc= 0.118 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 45 ASN : amide:sc=-0.00543 X(o=-0.0054,f=-0.018) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00181 USER MOD Single : A 51 THR OG1 : rot -41:sc= 1.13 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= -0.285 (180deg=-0.288) USER MOD Single : A 61 SER OG : rot 180:sc= -0.658 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 73 THR OG1 : rot -81:sc= -1.73 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 90 LYS NZ :NH3+ -137:sc= 0.427 (180deg=0.00373) USER MOD Single : A 91 TYR OH : rot 13:sc= -0.447 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.549 -3.197 0.036 1.00 0.00 N ATOM 261 CA ARG A 17 -12.567 -2.126 -0.083 1.00 0.00 C ATOM 262 C ARG A 17 -12.043 -1.711 1.288 1.00 0.00 C ATOM 263 O ARG A 17 -10.836 -1.703 1.526 1.00 0.00 O ATOM 264 CB ARG A 17 -13.183 -0.918 -0.791 1.00 0.00 C ATOM 265 CG ARG A 17 -12.154 0.064 -1.329 1.00 0.00 C ATOM 266 CD ARG A 17 -12.509 1.499 -0.970 1.00 0.00 C ATOM 267 NE ARG A 17 -11.839 1.939 0.251 1.00 0.00 N ATOM 268 CZ ARG A 17 -12.235 2.979 0.981 1.00 0.00 C ATOM 269 NH1 ARG A 17 -13.296 3.689 0.617 1.00 0.00 N ATOM 270 NH2 ARG A 17 -11.568 3.311 2.078 1.00 0.00 N ATOM 0 HA ARG A 17 -11.731 -2.499 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.804 -1.269 -1.616 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.841 -0.397 -0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.171 -0.180 -0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.087 -0.035 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.232 2.158 -1.793 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.588 1.585 -0.842 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.019 1.418 0.563 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.812 3.438 -0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.595 4.485 1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.752 2.769 2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.871 4.108 2.638 1.00 0.00 H new ATOM 284 N GLU A 18 -12.959 -1.368 2.188 1.00 0.00 N ATOM 285 CA GLU A 18 -12.590 -0.954 3.537 1.00 0.00 C ATOM 286 C GLU A 18 -11.799 -2.049 4.246 1.00 0.00 C ATOM 287 O GLU A 18 -10.956 -1.768 5.098 1.00 0.00 O ATOM 288 CB GLU A 18 -13.841 -0.606 4.347 1.00 0.00 C ATOM 289 CG GLU A 18 -14.353 0.803 4.102 1.00 0.00 C ATOM 290 CD GLU A 18 -15.863 0.897 4.174 1.00 0.00 C ATOM 291 OE1 GLU A 18 -16.524 0.646 3.145 1.00 0.00 O ATOM 292 OE2 GLU A 18 -16.386 1.218 5.263 1.00 0.00 O ATOM 0 H GLU A 18 -13.963 -1.369 2.007 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.959 -0.069 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.630 -1.317 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.621 -0.724 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.916 1.477 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.018 1.141 3.121 1.00 0.00 H new ATOM 299 N GLU A 19 -12.076 -3.298 3.889 1.00 0.00 N ATOM 300 CA GLU A 19 -11.390 -4.435 4.491 1.00 0.00 C ATOM 301 C GLU A 19 -9.974 -4.574 3.935 1.00 0.00 C ATOM 302 O GLU A 19 -9.086 -5.101 4.604 1.00 0.00 O ATOM 303 CB GLU A 19 -12.176 -5.723 4.243 1.00 0.00 C ATOM 304 CG GLU A 19 -11.823 -6.847 5.201 1.00 0.00 C ATOM 305 CD GLU A 19 -12.206 -8.213 4.666 1.00 0.00 C ATOM 306 OE1 GLU A 19 -11.743 -8.570 3.563 1.00 0.00 O ATOM 307 OE2 GLU A 19 -12.970 -8.926 5.351 1.00 0.00 O ATOM 0 H GLU A 19 -12.771 -3.549 3.186 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.324 -4.260 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.242 -5.509 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.995 -6.058 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.751 -6.826 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.327 -6.680 6.153 1.00 0.00 H new ATOM 314 N MET A 20 -9.774 -4.098 2.710 1.00 0.00 N ATOM 315 CA MET A 20 -8.466 -4.173 2.070 1.00 0.00 C ATOM 316 C MET A 20 -7.505 -3.147 2.664 1.00 0.00 C ATOM 317 O MET A 20 -6.385 -3.484 3.047 1.00 0.00 O ATOM 318 CB MET A 20 -8.598 -3.952 0.561 1.00 0.00 C ATOM 319 CG MET A 20 -8.990 -5.204 -0.206 1.00 0.00 C ATOM 320 SD MET A 20 -7.811 -6.553 0.005 1.00 0.00 S ATOM 321 CE MET A 20 -6.369 -5.880 -0.816 1.00 0.00 C ATOM 0 H MET A 20 -10.498 -3.658 2.143 1.00 0.00 H new ATOM 0 HA MET A 20 -8.061 -5.169 2.251 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.343 -3.177 0.380 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.650 -3.580 0.173 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.975 -5.534 0.125 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.074 -4.964 -1.266 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.645 -6.676 -0.990 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.664 -5.443 -1.770 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.919 -5.110 -0.189 1.00 0.00 H new ATOM 331 N VAL A 21 -7.949 -1.894 2.741 1.00 0.00 N ATOM 332 CA VAL A 21 -7.120 -0.827 3.293 1.00 0.00 C ATOM 333 C VAL A 21 -6.657 -1.173 4.701 1.00 0.00 C ATOM 334 O VAL A 21 -5.492 -0.976 5.050 1.00 0.00 O ATOM 335 CB VAL A 21 -7.867 0.519 3.323 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.236 0.955 1.918 1.00 0.00 C ATOM 337 CG2 VAL A 21 -9.106 0.431 4.201 1.00 0.00 C ATOM 0 H VAL A 21 -8.873 -1.595 2.430 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.254 -0.730 2.638 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.201 1.268 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.763 1.908 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.330 1.067 1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.880 0.204 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.617 1.394 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.777 -0.334 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.813 0.170 5.218 1.00 0.00 H new ATOM 347 N LYS A 22 -7.573 -1.694 5.507 1.00 0.00 N ATOM 348 CA LYS A 22 -7.246 -2.072 6.873 1.00 0.00 C ATOM 349 C LYS A 22 -6.207 -3.187 6.873 1.00 0.00 C ATOM 350 O LYS A 22 -5.275 -3.187 7.680 1.00 0.00 O ATOM 351 CB LYS A 22 -8.501 -2.521 7.621 1.00 0.00 C ATOM 352 CG LYS A 22 -9.588 -1.460 7.678 1.00 0.00 C ATOM 353 CD LYS A 22 -9.295 -0.419 8.746 1.00 0.00 C ATOM 354 CE LYS A 22 -9.962 0.911 8.428 1.00 0.00 C ATOM 355 NZ LYS A 22 -8.987 1.918 7.930 1.00 0.00 N ATOM 0 H LYS A 22 -8.543 -1.863 5.239 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.832 -1.202 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.901 -3.413 7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.227 -2.803 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.673 -0.972 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.549 -1.932 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.645 -0.780 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.218 -0.276 8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.739 0.757 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.453 1.293 9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.482 2.809 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.260 2.085 8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.536 1.565 7.062 1.00 0.00 H new ATOM 369 N LYS A 23 -6.370 -4.131 5.951 1.00 0.00 N ATOM 370 CA LYS A 23 -5.444 -5.248 5.828 1.00 0.00 C ATOM 371 C LYS A 23 -4.046 -4.747 5.492 1.00 0.00 C ATOM 372 O LYS A 23 -3.049 -5.345 5.892 1.00 0.00 O ATOM 373 CB LYS A 23 -5.926 -6.223 4.752 1.00 0.00 C ATOM 374 CG LYS A 23 -5.733 -7.684 5.126 1.00 0.00 C ATOM 375 CD LYS A 23 -6.642 -8.090 6.274 1.00 0.00 C ATOM 376 CE LYS A 23 -7.881 -8.816 5.776 1.00 0.00 C ATOM 377 NZ LYS A 23 -9.107 -8.385 6.501 1.00 0.00 N ATOM 0 H LYS A 23 -7.136 -4.143 5.278 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.407 -5.770 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.983 -6.043 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.392 -6.020 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.937 -8.313 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.693 -7.855 5.406 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.094 -8.734 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.939 -7.204 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.006 -8.630 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.746 -9.891 5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.949 -8.700 5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.113 -8.805 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.117 -7.348 6.580 1.00 0.00 H new ATOM 391 N CYS A 24 -3.980 -3.638 4.760 1.00 0.00 N ATOM 392 CA CYS A 24 -2.702 -3.052 4.377 1.00 0.00 C ATOM 393 C CYS A 24 -1.926 -2.623 5.618 1.00 0.00 C ATOM 394 O CYS A 24 -0.710 -2.797 5.693 1.00 0.00 O ATOM 395 CB CYS A 24 -2.922 -1.854 3.446 1.00 0.00 C ATOM 396 SG CYS A 24 -1.447 -0.844 3.159 1.00 0.00 S ATOM 0 H CYS A 24 -4.796 -3.129 4.421 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.120 -3.803 3.843 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.289 -2.218 2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.703 -1.222 3.867 1.00 0.00 H new ATOM 0 HG CYS A 24 -0.931 -1.148 2.005 1.00 0.00 H new ATOM 402 N LEU A 25 -2.639 -2.067 6.591 1.00 0.00 N ATOM 403 CA LEU A 25 -2.015 -1.618 7.829 1.00 0.00 C ATOM 404 C LEU A 25 -1.385 -2.792 8.571 1.00 0.00 C ATOM 405 O LEU A 25 -0.338 -2.650 9.202 1.00 0.00 O ATOM 406 CB LEU A 25 -3.042 -0.926 8.724 1.00 0.00 C ATOM 407 CG LEU A 25 -2.453 0.079 9.717 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.275 1.358 9.738 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.373 -0.531 11.107 1.00 0.00 C ATOM 0 H LEU A 25 -3.647 -1.917 6.546 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.231 -0.905 7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.765 -0.410 8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.590 -1.687 9.280 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.443 0.330 9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.839 2.059 10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.278 1.805 8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.298 1.128 10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.952 0.197 11.800 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.372 -0.812 11.439 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.737 -1.416 11.080 1.00 0.00 H new ATOM 421 N GLY A 26 -2.028 -3.953 8.489 1.00 0.00 N ATOM 422 CA GLY A 26 -1.512 -5.134 9.156 1.00 0.00 C ATOM 423 C GLY A 26 -0.351 -5.767 8.411 1.00 0.00 C ATOM 424 O GLY A 26 0.736 -5.931 8.965 1.00 0.00 O ATOM 0 H GLY A 26 -2.896 -4.097 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.190 -4.866 10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.313 -5.866 9.262 1.00 0.00 H new ATOM 428 N GLU A 27 -0.584 -6.123 7.151 1.00 0.00 N ATOM 429 CA GLU A 27 0.446 -6.742 6.324 1.00 0.00 C ATOM 430 C GLU A 27 1.708 -5.885 6.287 1.00 0.00 C ATOM 431 O GLU A 27 2.823 -6.401 6.366 1.00 0.00 O ATOM 432 CB GLU A 27 -0.076 -6.961 4.902 1.00 0.00 C ATOM 433 CG GLU A 27 -1.115 -8.066 4.798 1.00 0.00 C ATOM 434 CD GLU A 27 -1.493 -8.379 3.364 1.00 0.00 C ATOM 435 OE1 GLU A 27 -1.240 -7.528 2.485 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.039 -9.474 3.119 1.00 0.00 O ATOM 0 H GLU A 27 -1.479 -5.993 6.680 1.00 0.00 H new ATOM 0 HA GLU A 27 0.698 -7.706 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.510 -6.030 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.763 -7.200 4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.729 -8.968 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.008 -7.772 5.349 1.00 0.00 H new ATOM 443 N LEU A 28 1.524 -4.575 6.165 1.00 0.00 N ATOM 444 CA LEU A 28 2.649 -3.650 6.117 1.00 0.00 C ATOM 445 C LEU A 28 3.432 -3.679 7.425 1.00 0.00 C ATOM 446 O LEU A 28 4.643 -3.462 7.438 1.00 0.00 O ATOM 447 CB LEU A 28 2.163 -2.228 5.826 1.00 0.00 C ATOM 448 CG LEU A 28 1.783 -1.954 4.369 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.550 -0.468 4.151 1.00 0.00 C ATOM 450 CD2 LEU A 28 2.863 -2.464 3.426 1.00 0.00 C ATOM 0 H LEU A 28 0.608 -4.131 6.098 1.00 0.00 H new ATOM 0 HA LEU A 28 3.311 -3.966 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.297 -2.021 6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.945 -1.527 6.119 1.00 0.00 H new ATOM 0 HG LEU A 28 0.857 -2.487 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.281 -0.291 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.741 -0.128 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.461 0.082 4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.573 -2.259 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.805 -1.960 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.986 -3.539 3.561 1.00 0.00 H new ATOM 462 N THR A 29 2.736 -3.953 8.523 1.00 0.00 N ATOM 463 CA THR A 29 3.376 -4.016 9.829 1.00 0.00 C ATOM 464 C THR A 29 4.411 -5.135 9.863 1.00 0.00 C ATOM 465 O THR A 29 5.433 -5.028 10.537 1.00 0.00 O ATOM 466 CB THR A 29 2.333 -4.234 10.929 1.00 0.00 C ATOM 467 OG1 THR A 29 1.361 -3.204 10.910 1.00 0.00 O ATOM 468 CG2 THR A 29 2.930 -4.275 12.319 1.00 0.00 C ATOM 0 H THR A 29 1.732 -4.134 8.534 1.00 0.00 H new ATOM 0 HA THR A 29 3.880 -3.066 10.008 1.00 0.00 H new ATOM 0 HB THR A 29 1.885 -5.204 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.704 -3.387 10.206 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.138 -4.432 13.051 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.649 -5.092 12.382 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.434 -3.331 12.527 1.00 0.00 H new ATOM 476 N GLU A 30 4.135 -6.207 9.124 1.00 0.00 N ATOM 477 CA GLU A 30 5.043 -7.348 9.063 1.00 0.00 C ATOM 478 C GLU A 30 6.315 -6.988 8.301 1.00 0.00 C ATOM 479 O GLU A 30 7.420 -7.087 8.837 1.00 0.00 O ATOM 480 CB GLU A 30 4.353 -8.539 8.397 1.00 0.00 C ATOM 481 CG GLU A 30 3.701 -9.494 9.385 1.00 0.00 C ATOM 482 CD GLU A 30 4.199 -10.919 9.236 1.00 0.00 C ATOM 483 OE1 GLU A 30 4.471 -11.337 8.091 1.00 0.00 O ATOM 484 OE2 GLU A 30 4.315 -11.617 10.265 1.00 0.00 O ATOM 0 H GLU A 30 3.291 -6.309 8.560 1.00 0.00 H new ATOM 0 HA GLU A 30 5.317 -7.621 10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.595 -8.170 7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.085 -9.087 7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.896 -9.149 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.620 -9.474 9.244 1.00 0.00 H new ATOM 491 N VAL A 31 6.155 -6.567 7.049 1.00 0.00 N ATOM 492 CA VAL A 31 7.292 -6.190 6.217 1.00 0.00 C ATOM 493 C VAL A 31 8.153 -5.138 6.909 1.00 0.00 C ATOM 494 O VAL A 31 9.367 -5.088 6.716 1.00 0.00 O ATOM 495 CB VAL A 31 6.832 -5.651 4.850 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.911 -4.462 5.037 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.029 -5.280 3.984 1.00 0.00 C ATOM 0 H VAL A 31 5.249 -6.479 6.589 1.00 0.00 H new ATOM 0 HA VAL A 31 7.885 -7.091 6.060 1.00 0.00 H new ATOM 0 HB VAL A 31 6.279 -6.437 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.593 -4.091 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.036 -4.766 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.440 -3.673 5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.680 -4.902 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.616 -4.510 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.649 -6.162 3.823 1.00 0.00 H new ATOM 507 N CYS A 32 7.514 -4.304 7.723 1.00 0.00 N ATOM 508 CA CYS A 32 8.222 -3.257 8.448 1.00 0.00 C ATOM 509 C CYS A 32 9.193 -3.866 9.458 1.00 0.00 C ATOM 510 O CYS A 32 10.311 -3.379 9.630 1.00 0.00 O ATOM 511 CB CYS A 32 7.226 -2.343 9.164 1.00 0.00 C ATOM 512 SG CYS A 32 6.574 -1.011 8.132 1.00 0.00 S ATOM 0 H CYS A 32 6.509 -4.333 7.896 1.00 0.00 H new ATOM 0 HA CYS A 32 8.792 -2.667 7.730 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.394 -2.945 9.529 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.712 -1.907 10.037 1.00 0.00 H new ATOM 0 HG CYS A 32 5.558 -1.449 7.449 1.00 0.00 H new ATOM 518 N LYS A 33 8.757 -4.935 10.118 1.00 0.00 N ATOM 519 CA LYS A 33 9.587 -5.615 11.106 1.00 0.00 C ATOM 520 C LYS A 33 10.680 -6.433 10.425 1.00 0.00 C ATOM 521 O LYS A 33 11.840 -6.403 10.835 1.00 0.00 O ATOM 522 CB LYS A 33 8.730 -6.528 11.986 1.00 0.00 C ATOM 523 CG LYS A 33 7.460 -5.865 12.498 1.00 0.00 C ATOM 524 CD LYS A 33 7.236 -6.154 13.973 1.00 0.00 C ATOM 525 CE LYS A 33 6.298 -5.138 14.604 1.00 0.00 C ATOM 526 NZ LYS A 33 6.575 -4.950 16.055 1.00 0.00 N ATOM 0 H LYS A 33 7.834 -5.349 9.986 1.00 0.00 H new ATOM 0 HA LYS A 33 10.057 -4.856 11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.461 -7.418 11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.324 -6.861 12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.523 -4.788 12.343 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.605 -6.221 11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.821 -7.155 14.090 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.192 -6.142 14.496 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.399 -4.183 14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.267 -5.465 14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.914 -4.249 16.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.454 -5.856 16.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.551 -4.613 16.181 1.00 0.00 H new ATOM 540 N SER A 34 10.299 -7.165 9.381 1.00 0.00 N ATOM 541 CA SER A 34 11.246 -7.991 8.640 1.00 0.00 C ATOM 542 C SER A 34 12.414 -7.153 8.132 1.00 0.00 C ATOM 543 O SER A 34 13.544 -7.632 8.045 1.00 0.00 O ATOM 544 CB SER A 34 10.546 -8.675 7.464 1.00 0.00 C ATOM 545 OG SER A 34 9.349 -9.309 7.880 1.00 0.00 O ATOM 0 H SER A 34 9.342 -7.202 9.030 1.00 0.00 H new ATOM 0 HA SER A 34 11.634 -8.753 9.316 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.322 -7.939 6.692 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.214 -9.411 7.017 1.00 0.00 H new ATOM 0 HG SER A 34 8.921 -9.737 7.109 1.00 0.00 H new ATOM 551 N LEU A 35 12.131 -5.898 7.801 1.00 0.00 N ATOM 552 CA LEU A 35 13.156 -4.989 7.308 1.00 0.00 C ATOM 553 C LEU A 35 14.068 -4.537 8.445 1.00 0.00 C ATOM 554 O LEU A 35 15.238 -4.223 8.229 1.00 0.00 O ATOM 555 CB LEU A 35 12.513 -3.771 6.640 1.00 0.00 C ATOM 556 CG LEU A 35 11.880 -4.041 5.272 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.183 -2.792 4.749 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.935 -4.523 4.285 1.00 0.00 C ATOM 0 H LEU A 35 11.199 -5.488 7.866 1.00 0.00 H new ATOM 0 HA LEU A 35 13.756 -5.522 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.747 -3.373 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.271 -2.996 6.526 1.00 0.00 H new ATOM 0 HG LEU A 35 11.132 -4.826 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.739 -3.003 3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.401 -2.492 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.909 -1.985 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.469 -4.711 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.706 -3.760 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.386 -5.444 4.655 1.00 0.00 H new ATOM 570 N GLY A 36 13.522 -4.507 9.656 1.00 0.00 N ATOM 571 CA GLY A 36 14.299 -4.092 10.810 1.00 0.00 C ATOM 572 C GLY A 36 15.215 -5.187 11.318 1.00 0.00 C ATOM 573 O GLY A 36 16.326 -4.914 11.774 1.00 0.00 O ATOM 0 H GLY A 36 12.556 -4.762 9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.894 -3.218 10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.623 -3.789 11.609 1.00 0.00 H new ATOM 577 N LYS A 37 14.749 -6.429 11.242 1.00 0.00 N ATOM 578 CA LYS A 37 15.536 -7.568 11.700 1.00 0.00 C ATOM 579 C LYS A 37 16.654 -7.894 10.713 1.00 0.00 C ATOM 580 O LYS A 37 17.693 -8.429 11.095 1.00 0.00 O ATOM 581 CB LYS A 37 14.636 -8.792 11.894 1.00 0.00 C ATOM 582 CG LYS A 37 13.948 -9.251 10.617 1.00 0.00 C ATOM 583 CD LYS A 37 12.886 -10.300 10.905 1.00 0.00 C ATOM 584 CE LYS A 37 12.830 -11.352 9.808 1.00 0.00 C ATOM 585 NZ LYS A 37 13.884 -12.388 9.975 1.00 0.00 N ATOM 0 H LYS A 37 13.832 -6.672 10.868 1.00 0.00 H new ATOM 0 HA LYS A 37 15.988 -7.303 12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.234 -9.613 12.290 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.878 -8.560 12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.491 -8.395 10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.689 -9.660 9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.097 -10.780 11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.913 -9.818 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.850 -11.828 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.946 -10.870 8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.810 -13.085 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.821 -11.938 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.759 -12.866 10.890 1.00 0.00 H new ATOM 599 N VAL A 38 16.431 -7.570 9.443 1.00 0.00 N ATOM 600 CA VAL A 38 17.420 -7.830 8.404 1.00 0.00 C ATOM 601 C VAL A 38 18.454 -6.711 8.326 1.00 0.00 C ATOM 602 O VAL A 38 19.654 -6.967 8.238 1.00 0.00 O ATOM 603 CB VAL A 38 16.759 -8.006 7.026 1.00 0.00 C ATOM 604 CG1 VAL A 38 15.781 -9.170 7.046 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.062 -6.724 6.603 1.00 0.00 C ATOM 0 H VAL A 38 15.575 -7.127 9.109 1.00 0.00 H new ATOM 0 HA VAL A 38 17.921 -8.759 8.677 1.00 0.00 H new ATOM 0 HB VAL A 38 17.537 -8.229 6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.324 -9.278 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.312 -10.087 7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.005 -8.981 7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.600 -6.866 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.294 -6.469 7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.791 -5.916 6.545 1.00 0.00 H new ATOM 615 N PHE A 39 17.980 -5.469 8.357 1.00 0.00 N ATOM 616 CA PHE A 39 18.865 -4.312 8.289 1.00 0.00 C ATOM 617 C PHE A 39 19.372 -3.926 9.675 1.00 0.00 C ATOM 618 O PHE A 39 20.443 -3.337 9.813 1.00 0.00 O ATOM 619 CB PHE A 39 18.141 -3.126 7.650 1.00 0.00 C ATOM 620 CG PHE A 39 18.028 -3.227 6.156 1.00 0.00 C ATOM 621 CD1 PHE A 39 19.139 -3.035 5.350 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.811 -3.512 5.557 1.00 0.00 C ATOM 623 CE1 PHE A 39 19.039 -3.128 3.975 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.705 -3.605 4.182 1.00 0.00 C ATOM 625 CZ PHE A 39 17.820 -3.414 3.390 1.00 0.00 C ATOM 0 H PHE A 39 16.989 -5.239 8.429 1.00 0.00 H new ATOM 0 HA PHE A 39 19.723 -4.582 7.673 1.00 0.00 H new ATOM 0 HB2 PHE A 39 17.141 -3.048 8.077 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.670 -2.208 7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.094 -2.810 5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.936 -3.663 6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.913 -2.977 3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.751 -3.827 3.727 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.740 -3.488 2.316 1.00 0.00 H new ATOM 635 N GLY A 40 18.595 -4.262 10.701 1.00 0.00 N ATOM 636 CA GLY A 40 18.984 -3.944 12.061 1.00 0.00 C ATOM 637 C GLY A 40 18.394 -2.634 12.548 1.00 0.00 C ATOM 638 O GLY A 40 18.946 -1.992 13.440 1.00 0.00 O ATOM 0 H GLY A 40 17.703 -4.749 10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.666 -4.749 12.723 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.071 -3.893 12.121 1.00 0.00 H new ATOM 642 N VAL A 41 17.267 -2.240 11.964 1.00 0.00 N ATOM 643 CA VAL A 41 16.603 -1.000 12.349 1.00 0.00 C ATOM 644 C VAL A 41 15.303 -1.285 13.093 1.00 0.00 C ATOM 645 O VAL A 41 14.679 -2.329 12.896 1.00 0.00 O ATOM 646 CB VAL A 41 16.299 -0.115 11.124 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.585 0.450 10.543 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.530 -0.899 10.074 1.00 0.00 C ATOM 0 H VAL A 41 16.795 -2.760 11.224 1.00 0.00 H new ATOM 0 HA VAL A 41 17.289 -0.466 13.007 1.00 0.00 H new ATOM 0 HB VAL A 41 15.676 0.719 11.447 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.351 1.072 9.679 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.091 1.052 11.297 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.236 -0.369 10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.325 -0.256 9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.123 -1.755 9.752 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.589 -1.249 10.498 1.00 0.00 H new ATOM 658 N HIS A 42 14.902 -0.356 13.955 1.00 0.00 N ATOM 659 CA HIS A 42 13.677 -0.510 14.731 1.00 0.00 C ATOM 660 C HIS A 42 12.458 -0.621 13.821 1.00 0.00 C ATOM 661 O HIS A 42 12.502 -0.227 12.655 1.00 0.00 O ATOM 662 CB HIS A 42 13.507 0.668 15.693 1.00 0.00 C ATOM 663 CG HIS A 42 13.030 0.265 17.054 1.00 0.00 C ATOM 664 ND1 HIS A 42 13.748 -0.566 17.888 1.00 0.00 N ATOM 665 CD2 HIS A 42 11.898 0.584 17.727 1.00 0.00 C ATOM 666 CE1 HIS A 42 13.079 -0.742 19.015 1.00 0.00 C ATOM 667 NE2 HIS A 42 11.955 -0.055 18.941 1.00 0.00 N ATOM 0 H HIS A 42 15.408 0.512 14.134 1.00 0.00 H new ATOM 0 HA HIS A 42 13.758 -1.433 15.306 1.00 0.00 H new ATOM 0 HB2 HIS A 42 14.460 1.188 15.790 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.799 1.378 15.264 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.100 1.221 17.375 1.00 0.00 H new ATOM 0 HE1 HIS A 42 13.398 -1.345 19.852 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.242 -0.006 19.669 1.00 0.00 H new ATOM 676 N TYR A 43 11.371 -1.156 14.365 1.00 0.00 N ATOM 677 CA TYR A 43 10.134 -1.320 13.610 1.00 0.00 C ATOM 678 C TYR A 43 9.622 0.031 13.111 1.00 0.00 C ATOM 679 O TYR A 43 9.330 0.198 11.927 1.00 0.00 O ATOM 680 CB TYR A 43 9.077 -2.009 14.484 1.00 0.00 C ATOM 681 CG TYR A 43 7.655 -1.853 13.985 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.287 -2.294 12.720 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.682 -1.265 14.782 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.989 -2.154 12.265 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.383 -1.121 14.335 1.00 0.00 C ATOM 686 CZ TYR A 43 5.042 -1.567 13.076 1.00 0.00 C ATOM 687 OH TYR A 43 3.750 -1.425 12.627 1.00 0.00 O ATOM 0 H TYR A 43 11.321 -1.485 15.329 1.00 0.00 H new ATOM 0 HA TYR A 43 10.335 -1.946 12.740 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.312 -3.071 14.548 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.141 -1.607 15.495 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.027 -2.754 12.082 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.945 -0.914 15.769 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.719 -2.503 11.279 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.639 -0.662 14.968 1.00 0.00 H new ATOM 0 HH TYR A 43 3.208 -0.993 13.320 1.00 0.00 H new ATOM 697 N PHE A 44 9.516 0.991 14.024 1.00 0.00 N ATOM 698 CA PHE A 44 9.041 2.325 13.678 1.00 0.00 C ATOM 699 C PHE A 44 10.022 3.038 12.750 1.00 0.00 C ATOM 700 O PHE A 44 9.672 4.023 12.101 1.00 0.00 O ATOM 701 CB PHE A 44 8.829 3.156 14.945 1.00 0.00 C ATOM 702 CG PHE A 44 7.499 2.917 15.602 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.347 3.498 15.095 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.401 2.114 16.727 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.122 3.280 15.697 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.178 1.892 17.332 1.00 0.00 C ATOM 707 CZ PHE A 44 5.038 2.476 16.816 1.00 0.00 C ATOM 0 H PHE A 44 9.753 0.870 15.009 1.00 0.00 H new ATOM 0 HA PHE A 44 8.091 2.216 13.154 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.623 2.929 15.656 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.918 4.213 14.696 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.407 4.128 14.220 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.290 1.657 17.136 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.232 3.738 15.292 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.114 1.263 18.207 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.082 2.304 17.287 1.00 0.00 H new ATOM 717 N ASN A 45 11.255 2.539 12.695 1.00 0.00 N ATOM 718 CA ASN A 45 12.284 3.133 11.848 1.00 0.00 C ATOM 719 C ASN A 45 11.857 3.141 10.382 1.00 0.00 C ATOM 720 O ASN A 45 12.256 4.017 9.615 1.00 0.00 O ATOM 721 CB ASN A 45 13.602 2.374 12.005 1.00 0.00 C ATOM 722 CG ASN A 45 14.790 3.303 12.155 1.00 0.00 C ATOM 723 OD1 ASN A 45 15.452 3.320 13.194 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.067 4.084 11.117 1.00 0.00 N ATOM 0 H ASN A 45 11.565 1.726 13.227 1.00 0.00 H new ATOM 0 HA ASN A 45 12.425 4.166 12.166 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.541 1.723 12.877 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.754 1.732 11.137 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.855 4.731 11.161 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.492 4.037 10.276 1.00 0.00 H new ATOM 731 N ILE A 46 11.049 2.158 9.996 1.00 0.00 N ATOM 732 CA ILE A 46 10.577 2.059 8.618 1.00 0.00 C ATOM 733 C ILE A 46 9.492 3.088 8.331 1.00 0.00 C ATOM 734 O ILE A 46 9.695 4.017 7.551 1.00 0.00 O ATOM 735 CB ILE A 46 10.020 0.655 8.305 1.00 0.00 C ATOM 736 CG1 ILE A 46 10.937 -0.431 8.870 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.845 0.479 6.805 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.365 -0.339 8.375 1.00 0.00 C ATOM 0 H ILE A 46 10.709 1.422 10.614 1.00 0.00 H new ATOM 0 HA ILE A 46 11.441 2.251 7.982 1.00 0.00 H new ATOM 0 HB ILE A 46 9.045 0.558 8.783 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.934 -0.367 9.958 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.533 -1.409 8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.451 -0.516 6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.149 1.229 6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.809 0.598 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.956 -1.141 8.818 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.381 -0.434 7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.788 0.624 8.661 1.00 0.00 H new ATOM 750 N PHE A 47 8.334 2.913 8.962 1.00 0.00 N ATOM 751 CA PHE A 47 7.212 3.823 8.769 1.00 0.00 C ATOM 752 C PHE A 47 6.495 4.097 10.085 1.00 0.00 C ATOM 753 O PHE A 47 6.591 3.315 11.031 1.00 0.00 O ATOM 754 CB PHE A 47 6.231 3.240 7.749 1.00 0.00 C ATOM 755 CG PHE A 47 6.809 3.098 6.370 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.606 4.095 5.833 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.556 1.966 5.609 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.141 3.969 4.565 1.00 0.00 C ATOM 759 CE2 PHE A 47 7.089 1.835 4.341 1.00 0.00 C ATOM 760 CZ PHE A 47 7.882 2.838 3.818 1.00 0.00 C ATOM 0 H PHE A 47 8.149 2.148 9.611 1.00 0.00 H new ATOM 0 HA PHE A 47 7.603 4.768 8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.898 2.262 8.096 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.349 3.879 7.700 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.812 4.983 6.413 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.936 1.179 6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.761 4.755 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.886 0.948 3.759 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.298 2.737 2.827 1.00 0.00 H new ATOM 770 N ASN A 48 5.772 5.211 10.137 1.00 0.00 N ATOM 771 CA ASN A 48 5.034 5.591 11.334 1.00 0.00 C ATOM 772 C ASN A 48 3.591 5.100 11.262 1.00 0.00 C ATOM 773 O ASN A 48 3.109 4.714 10.197 1.00 0.00 O ATOM 774 CB ASN A 48 5.059 7.110 11.514 1.00 0.00 C ATOM 775 CG ASN A 48 6.227 7.572 12.361 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.091 7.781 13.567 1.00 0.00 O ATOM 777 ND2 ASN A 48 7.386 7.736 11.733 1.00 0.00 N ATOM 0 H ASN A 48 5.682 5.867 9.361 1.00 0.00 H new ATOM 0 HA ASN A 48 5.517 5.123 12.192 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.111 7.588 10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.127 7.434 11.978 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.208 8.047 12.252 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.454 7.551 10.732 1.00 0.00 H new ATOM 784 N THR A 49 2.908 5.113 12.402 1.00 0.00 N ATOM 785 CA THR A 49 1.520 4.668 12.469 1.00 0.00 C ATOM 786 C THR A 49 0.650 5.443 11.484 1.00 0.00 C ATOM 787 O THR A 49 -0.235 4.877 10.842 1.00 0.00 O ATOM 788 CB THR A 49 0.977 4.836 13.888 1.00 0.00 C ATOM 789 OG1 THR A 49 1.888 4.315 14.839 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.355 4.148 14.105 1.00 0.00 C ATOM 0 H THR A 49 3.293 5.427 13.293 1.00 0.00 H new ATOM 0 HA THR A 49 1.490 3.613 12.198 1.00 0.00 H new ATOM 0 HB THR A 49 0.840 5.909 14.019 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.523 4.434 15.741 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.683 4.307 15.132 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.094 4.562 13.420 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.247 3.079 13.920 1.00 0.00 H new ATOM 798 N VAL A 50 0.908 6.742 11.369 1.00 0.00 N ATOM 799 CA VAL A 50 0.148 7.595 10.464 1.00 0.00 C ATOM 800 C VAL A 50 0.541 7.344 9.008 1.00 0.00 C ATOM 801 O VAL A 50 -0.241 7.597 8.093 1.00 0.00 O ATOM 802 CB VAL A 50 0.348 9.084 10.795 1.00 0.00 C ATOM 803 CG1 VAL A 50 1.814 9.460 10.685 1.00 0.00 C ATOM 804 CG2 VAL A 50 -0.508 9.960 9.890 1.00 0.00 C ATOM 0 H VAL A 50 1.638 7.226 11.892 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.904 7.342 10.599 1.00 0.00 H new ATOM 0 HB VAL A 50 0.029 9.253 11.823 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.937 10.517 10.922 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.397 8.860 11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.162 9.273 9.669 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.350 11.008 10.143 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.228 9.791 8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.559 9.708 10.028 1.00 0.00 H new ATOM 814 N THR A 51 1.758 6.849 8.804 1.00 0.00 N ATOM 815 CA THR A 51 2.253 6.567 7.462 1.00 0.00 C ATOM 816 C THR A 51 1.606 5.308 6.891 1.00 0.00 C ATOM 817 O THR A 51 1.131 5.303 5.755 1.00 0.00 O ATOM 818 CB THR A 51 3.773 6.407 7.481 1.00 0.00 C ATOM 819 OG1 THR A 51 4.390 7.536 8.072 1.00 0.00 O ATOM 820 CG2 THR A 51 4.373 6.224 6.104 1.00 0.00 C ATOM 0 H THR A 51 2.419 6.635 9.551 1.00 0.00 H new ATOM 0 HA THR A 51 1.989 7.409 6.823 1.00 0.00 H new ATOM 0 HB THR A 51 3.960 5.505 8.064 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.946 8.352 7.760 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.454 6.116 6.190 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.955 5.330 5.641 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.143 7.093 5.488 1.00 0.00 H new ATOM 828 N LEU A 52 1.595 4.243 7.684 1.00 0.00 N ATOM 829 CA LEU A 52 1.010 2.975 7.257 1.00 0.00 C ATOM 830 C LEU A 52 -0.462 3.144 6.896 1.00 0.00 C ATOM 831 O LEU A 52 -0.916 2.658 5.861 1.00 0.00 O ATOM 832 CB LEU A 52 1.161 1.924 8.358 1.00 0.00 C ATOM 833 CG LEU A 52 2.596 1.668 8.818 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.627 0.597 9.897 1.00 0.00 C ATOM 835 CD2 LEU A 52 3.470 1.266 7.639 1.00 0.00 C ATOM 0 H LEU A 52 1.984 4.231 8.627 1.00 0.00 H new ATOM 0 HA LEU A 52 1.544 2.640 6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.570 2.235 9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.737 0.985 8.003 1.00 0.00 H new ATOM 0 HG LEU A 52 2.993 2.591 9.240 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.657 0.428 10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.035 0.924 10.752 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.212 -0.330 9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.488 1.088 7.985 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.076 0.356 7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.473 2.066 6.899 1.00 0.00 H new ATOM 847 N LYS A 53 -1.203 3.835 7.755 1.00 0.00 N ATOM 848 CA LYS A 53 -2.626 4.063 7.526 1.00 0.00 C ATOM 849 C LYS A 53 -2.856 4.800 6.208 1.00 0.00 C ATOM 850 O LYS A 53 -3.864 4.586 5.535 1.00 0.00 O ATOM 851 CB LYS A 53 -3.231 4.863 8.682 1.00 0.00 C ATOM 852 CG LYS A 53 -2.537 6.192 8.930 1.00 0.00 C ATOM 853 CD LYS A 53 -3.280 7.023 9.963 1.00 0.00 C ATOM 854 CE LYS A 53 -3.140 6.434 11.357 1.00 0.00 C ATOM 855 NZ LYS A 53 -4.406 6.539 12.135 1.00 0.00 N ATOM 0 H LYS A 53 -0.843 4.247 8.616 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.117 3.092 7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.285 5.046 8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.185 4.263 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.517 6.013 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.468 6.748 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.894 8.042 9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.335 7.080 9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.847 5.387 11.281 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.342 6.950 11.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.268 6.126 13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.673 7.540 12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.162 6.025 11.639 1.00 0.00 H new ATOM 869 N LYS A 54 -1.916 5.666 5.846 1.00 0.00 N ATOM 870 CA LYS A 54 -2.020 6.432 4.609 1.00 0.00 C ATOM 871 C LYS A 54 -2.000 5.507 3.394 1.00 0.00 C ATOM 872 O LYS A 54 -2.938 5.495 2.597 1.00 0.00 O ATOM 873 CB LYS A 54 -0.884 7.454 4.516 1.00 0.00 C ATOM 874 CG LYS A 54 -1.363 8.897 4.546 1.00 0.00 C ATOM 875 CD LYS A 54 -2.205 9.182 5.781 1.00 0.00 C ATOM 876 CE LYS A 54 -3.488 9.916 5.424 1.00 0.00 C ATOM 877 NZ LYS A 54 -4.464 9.026 4.737 1.00 0.00 N ATOM 0 H LYS A 54 -1.074 5.855 6.390 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.971 6.965 4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.192 7.292 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.327 7.283 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.503 9.567 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.948 9.106 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.448 8.244 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.627 9.779 6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.940 10.319 6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.254 10.764 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.338 9.555 4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.056 8.688 3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.681 8.212 5.347 1.00 0.00 H new ATOM 891 N LEU A 55 -0.928 4.730 3.261 1.00 0.00 N ATOM 892 CA LEU A 55 -0.797 3.800 2.145 1.00 0.00 C ATOM 893 C LEU A 55 -1.963 2.813 2.103 1.00 0.00 C ATOM 894 O LEU A 55 -2.256 2.232 1.059 1.00 0.00 O ATOM 895 CB LEU A 55 0.529 3.041 2.228 1.00 0.00 C ATOM 896 CG LEU A 55 1.719 3.748 1.570 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.708 4.234 2.614 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.406 2.821 0.579 1.00 0.00 C ATOM 0 H LEU A 55 -0.141 4.726 3.910 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.813 4.385 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.765 2.864 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.402 2.064 1.761 1.00 0.00 H new ATOM 0 HG LEU A 55 1.341 4.617 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.543 4.732 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.213 4.935 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.080 3.384 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.249 3.339 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.765 1.933 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.697 2.526 -0.195 1.00 0.00 H new ATOM 910 N ALA A 56 -2.621 2.626 3.243 1.00 0.00 N ATOM 911 CA ALA A 56 -3.752 1.708 3.330 1.00 0.00 C ATOM 912 C ALA A 56 -5.000 2.306 2.690 1.00 0.00 C ATOM 913 O ALA A 56 -5.601 1.706 1.800 1.00 0.00 O ATOM 914 CB ALA A 56 -4.025 1.342 4.782 1.00 0.00 C ATOM 0 H ALA A 56 -2.391 3.097 4.118 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.494 0.803 2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.871 0.657 4.832 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.144 0.862 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.256 2.245 5.348 1.00 0.00 H new ATOM 920 N GLU A 57 -5.384 3.494 3.149 1.00 0.00 N ATOM 921 CA GLU A 57 -6.563 4.173 2.620 1.00 0.00 C ATOM 922 C GLU A 57 -6.472 4.323 1.104 1.00 0.00 C ATOM 923 O GLU A 57 -7.485 4.292 0.406 1.00 0.00 O ATOM 924 CB GLU A 57 -6.723 5.548 3.270 1.00 0.00 C ATOM 925 CG GLU A 57 -6.515 5.538 4.777 1.00 0.00 C ATOM 926 CD GLU A 57 -7.579 6.326 5.517 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.042 7.352 4.976 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.946 5.917 6.638 1.00 0.00 O ATOM 0 H GLU A 57 -4.897 4.006 3.885 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.436 3.564 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.011 6.239 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.720 5.930 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.517 4.508 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.534 5.953 5.008 1.00 0.00 H new ATOM 935 N SER A 58 -5.252 4.484 0.602 1.00 0.00 N ATOM 936 CA SER A 58 -5.028 4.637 -0.832 1.00 0.00 C ATOM 937 C SER A 58 -5.171 3.299 -1.547 1.00 0.00 C ATOM 938 O SER A 58 -5.835 3.203 -2.578 1.00 0.00 O ATOM 939 CB SER A 58 -3.638 5.221 -1.092 1.00 0.00 C ATOM 940 OG SER A 58 -2.623 4.281 -0.786 1.00 0.00 O ATOM 0 H SER A 58 -4.403 4.512 1.167 1.00 0.00 H new ATOM 0 HA SER A 58 -5.781 5.321 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.556 5.522 -2.137 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.499 6.119 -0.490 1.00 0.00 H new ATOM 0 HG SER A 58 -1.745 4.679 -0.962 1.00 0.00 H new ATOM 946 N LEU A 59 -4.546 2.266 -0.990 1.00 0.00 N ATOM 947 CA LEU A 59 -4.603 0.928 -1.572 1.00 0.00 C ATOM 948 C LEU A 59 -3.942 0.900 -2.946 1.00 0.00 C ATOM 949 O LEU A 59 -4.452 0.278 -3.880 1.00 0.00 O ATOM 950 CB LEU A 59 -6.055 0.460 -1.678 1.00 0.00 C ATOM 951 CG LEU A 59 -6.279 -1.025 -1.373 1.00 0.00 C ATOM 952 CD1 LEU A 59 -7.503 -1.212 -0.488 1.00 0.00 C ATOM 953 CD2 LEU A 59 -6.423 -1.817 -2.663 1.00 0.00 C ATOM 0 H LEU A 59 -3.993 2.329 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.056 0.250 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.663 1.052 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.415 0.667 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.409 -1.401 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.645 -2.273 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.358 -0.677 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.383 -0.820 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.581 -2.870 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.275 -1.439 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.516 -1.711 -3.258 1.00 0.00 H new ATOM 965 N SER A 60 -2.803 1.575 -3.066 1.00 0.00 N ATOM 966 CA SER A 60 -2.072 1.624 -4.327 1.00 0.00 C ATOM 967 C SER A 60 -0.570 1.501 -4.087 1.00 0.00 C ATOM 968 O SER A 60 -0.022 2.140 -3.189 1.00 0.00 O ATOM 969 CB SER A 60 -2.377 2.928 -5.066 1.00 0.00 C ATOM 970 OG SER A 60 -2.439 4.023 -4.168 1.00 0.00 O ATOM 0 H SER A 60 -2.366 2.096 -2.305 1.00 0.00 H new ATOM 0 HA SER A 60 -2.395 0.783 -4.941 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.608 3.112 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.324 2.835 -5.597 1.00 0.00 H new ATOM 0 HG SER A 60 -2.634 4.844 -4.666 1.00 0.00 H new ATOM 976 N SER A 61 0.089 0.677 -4.894 1.00 0.00 N ATOM 977 CA SER A 61 1.527 0.473 -4.765 1.00 0.00 C ATOM 978 C SER A 61 2.296 1.405 -5.697 1.00 0.00 C ATOM 979 O SER A 61 2.656 1.028 -6.811 1.00 0.00 O ATOM 980 CB SER A 61 1.887 -0.983 -5.069 1.00 0.00 C ATOM 981 OG SER A 61 3.220 -1.270 -4.683 1.00 0.00 O ATOM 0 H SER A 61 -0.349 0.140 -5.643 1.00 0.00 H new ATOM 0 HA SER A 61 1.810 0.703 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.202 -1.648 -4.543 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.764 -1.176 -6.135 1.00 0.00 H new ATOM 0 HG SER A 61 3.425 -2.207 -4.886 1.00 0.00 H new ATOM 987 N ASP A 62 2.545 2.623 -5.227 1.00 0.00 N ATOM 988 CA ASP A 62 3.274 3.614 -6.009 1.00 0.00 C ATOM 989 C ASP A 62 4.482 4.130 -5.233 1.00 0.00 C ATOM 990 O ASP A 62 4.516 4.050 -4.008 1.00 0.00 O ATOM 991 CB ASP A 62 2.355 4.780 -6.380 1.00 0.00 C ATOM 992 CG ASP A 62 1.670 4.574 -7.716 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.278 3.425 -8.011 1.00 0.00 O ATOM 994 OD2 ASP A 62 1.523 5.561 -8.467 1.00 0.00 O ATOM 0 H ASP A 62 2.252 2.948 -4.306 1.00 0.00 H new ATOM 0 HA ASP A 62 3.626 3.135 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.600 4.905 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.936 5.701 -6.411 1.00 0.00 H new ATOM 999 N PRO A 63 5.501 4.650 -5.939 1.00 0.00 N ATOM 1000 CA PRO A 63 6.714 5.167 -5.315 1.00 0.00 C ATOM 1001 C PRO A 63 6.604 6.641 -4.922 1.00 0.00 C ATOM 1002 O PRO A 63 6.962 7.022 -3.808 1.00 0.00 O ATOM 1003 CB PRO A 63 7.752 4.983 -6.418 1.00 0.00 C ATOM 1004 CG PRO A 63 6.990 5.148 -7.693 1.00 0.00 C ATOM 1005 CD PRO A 63 5.556 4.762 -7.407 1.00 0.00 C ATOM 0 HA PRO A 63 6.947 4.656 -4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.550 5.721 -6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.219 4.000 -6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.049 6.177 -8.046 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.410 4.518 -8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.859 5.515 -7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.293 3.820 -7.889 1.00 0.00 H new ATOM 1013 N GLU A 64 6.113 7.466 -5.843 1.00 0.00 N ATOM 1014 CA GLU A 64 5.964 8.899 -5.591 1.00 0.00 C ATOM 1015 C GLU A 64 4.778 9.171 -4.674 1.00 0.00 C ATOM 1016 O GLU A 64 4.849 10.018 -3.782 1.00 0.00 O ATOM 1017 CB GLU A 64 5.784 9.662 -6.907 1.00 0.00 C ATOM 1018 CG GLU A 64 6.520 9.044 -8.086 1.00 0.00 C ATOM 1019 CD GLU A 64 7.259 10.073 -8.917 1.00 0.00 C ATOM 1020 OE1 GLU A 64 6.611 11.026 -9.396 1.00 0.00 O ATOM 1021 OE2 GLU A 64 8.488 9.925 -9.091 1.00 0.00 O ATOM 0 H GLU A 64 5.811 7.168 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 64 6.873 9.246 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.721 9.714 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.131 10.686 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.229 8.302 -7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.806 8.516 -8.719 1.00 0.00 H new ATOM 1028 N VAL A 65 3.688 8.446 -4.901 1.00 0.00 N ATOM 1029 CA VAL A 65 2.479 8.604 -4.099 1.00 0.00 C ATOM 1030 C VAL A 65 2.796 8.542 -2.606 1.00 0.00 C ATOM 1031 O VAL A 65 2.071 9.101 -1.784 1.00 0.00 O ATOM 1032 CB VAL A 65 1.435 7.521 -4.442 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.173 7.708 -3.612 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.104 7.543 -5.927 1.00 0.00 C ATOM 0 H VAL A 65 3.616 7.742 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 65 2.065 9.584 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 65 1.864 6.548 -4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.550 6.934 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.420 7.636 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.256 8.688 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.366 6.771 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.699 8.519 -6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.009 7.354 -6.504 1.00 0.00 H new ATOM 1044 N LEU A 66 3.882 7.854 -2.266 1.00 0.00 N ATOM 1045 CA LEU A 66 4.295 7.717 -0.875 1.00 0.00 C ATOM 1046 C LEU A 66 5.196 8.876 -0.463 1.00 0.00 C ATOM 1047 O LEU A 66 5.201 9.288 0.696 1.00 0.00 O ATOM 1048 CB LEU A 66 5.020 6.388 -0.669 1.00 0.00 C ATOM 1049 CG LEU A 66 4.492 5.238 -1.523 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.227 3.944 -1.204 1.00 0.00 C ATOM 1051 CD2 LEU A 66 2.994 5.068 -1.325 1.00 0.00 C ATOM 0 H LEU A 66 4.491 7.383 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 66 3.403 7.735 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.079 6.529 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.945 6.107 0.382 1.00 0.00 H new ATOM 0 HG LEU A 66 4.674 5.481 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.833 3.139 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.291 4.071 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.084 3.694 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.637 4.244 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.788 4.852 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.482 5.986 -1.614 1.00 0.00 H new ATOM 1063 N LEU A 67 5.953 9.401 -1.423 1.00 0.00 N ATOM 1064 CA LEU A 67 6.855 10.518 -1.162 1.00 0.00 C ATOM 1065 C LEU A 67 6.109 11.661 -0.483 1.00 0.00 C ATOM 1066 O LEU A 67 6.648 12.336 0.393 1.00 0.00 O ATOM 1067 CB LEU A 67 7.484 11.010 -2.467 1.00 0.00 C ATOM 1068 CG LEU A 67 8.885 11.608 -2.329 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.920 12.644 -1.217 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.908 10.511 -2.069 1.00 0.00 C ATOM 0 H LEU A 67 5.959 9.071 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 67 7.645 10.171 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.530 10.176 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.828 11.760 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 67 9.140 12.104 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.926 13.057 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.216 13.445 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.643 12.174 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.900 10.953 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.654 9.987 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.904 9.806 -2.900 1.00 0.00 H new ATOM 1082 N GLN A 68 4.861 11.865 -0.892 1.00 0.00 N ATOM 1083 CA GLN A 68 4.033 12.920 -0.322 1.00 0.00 C ATOM 1084 C GLN A 68 3.497 12.511 1.048 1.00 0.00 C ATOM 1085 O GLN A 68 3.168 13.360 1.875 1.00 0.00 O ATOM 1086 CB GLN A 68 2.870 13.248 -1.260 1.00 0.00 C ATOM 1087 CG GLN A 68 3.312 13.749 -2.625 1.00 0.00 C ATOM 1088 CD GLN A 68 3.275 15.261 -2.732 1.00 0.00 C ATOM 1089 OE1 GLN A 68 3.559 15.971 -1.767 1.00 0.00 O ATOM 1090 NE2 GLN A 68 2.922 15.763 -3.910 1.00 0.00 N ATOM 0 H GLN A 68 4.401 11.313 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 68 4.653 13.808 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.257 12.356 -1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.239 14.003 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.325 13.399 -2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.668 13.318 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.695 15.138 -4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.878 16.774 -4.041 1.00 0.00 H new ATOM 1099 N ILE A 69 3.416 11.203 1.282 1.00 0.00 N ATOM 1100 CA ILE A 69 2.925 10.680 2.552 1.00 0.00 C ATOM 1101 C ILE A 69 3.844 11.084 3.700 1.00 0.00 C ATOM 1102 O ILE A 69 5.068 11.009 3.585 1.00 0.00 O ATOM 1103 CB ILE A 69 2.805 9.141 2.514 1.00 0.00 C ATOM 1104 CG1 ILE A 69 1.888 8.707 1.366 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.292 8.605 3.844 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.420 8.980 1.618 1.00 0.00 C ATOM 0 H ILE A 69 3.685 10.487 0.607 1.00 0.00 H new ATOM 0 HA ILE A 69 1.936 11.108 2.716 1.00 0.00 H new ATOM 0 HB ILE A 69 3.797 8.723 2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.193 9.223 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.024 7.640 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.216 7.519 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.983 8.884 4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.309 9.028 4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.165 8.645 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.098 8.442 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.269 10.049 1.765 1.00 0.00 H new ATOM 1118 N ASP A 70 3.246 11.508 4.808 1.00 0.00 N ATOM 1119 CA ASP A 70 4.012 11.923 5.978 1.00 0.00 C ATOM 1120 C ASP A 70 4.776 10.744 6.573 1.00 0.00 C ATOM 1121 O ASP A 70 4.199 9.692 6.847 1.00 0.00 O ATOM 1122 CB ASP A 70 3.084 12.528 7.033 1.00 0.00 C ATOM 1123 CG ASP A 70 2.337 13.741 6.517 1.00 0.00 C ATOM 1124 OD1 ASP A 70 2.976 14.609 5.885 1.00 0.00 O ATOM 1125 OD2 ASP A 70 1.111 13.825 6.746 1.00 0.00 O ATOM 0 H ASP A 70 2.234 11.573 4.921 1.00 0.00 H new ATOM 0 HA ASP A 70 4.732 12.678 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.367 11.774 7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.669 12.810 7.909 1.00 0.00 H new ATOM 1130 N GLY A 71 6.078 10.927 6.768 1.00 0.00 N ATOM 1131 CA GLY A 71 6.899 9.870 7.327 1.00 0.00 C ATOM 1132 C GLY A 71 7.762 9.192 6.282 1.00 0.00 C ATOM 1133 O GLY A 71 8.876 8.754 6.574 1.00 0.00 O ATOM 0 H GLY A 71 6.579 11.788 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.537 10.284 8.108 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.257 9.128 7.801 1.00 0.00 H new ATOM 1137 N VAL A 72 7.249 9.106 5.059 1.00 0.00 N ATOM 1138 CA VAL A 72 7.980 8.476 3.965 1.00 0.00 C ATOM 1139 C VAL A 72 8.960 9.455 3.326 1.00 0.00 C ATOM 1140 O VAL A 72 8.637 10.623 3.115 1.00 0.00 O ATOM 1141 CB VAL A 72 7.024 7.945 2.881 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.780 7.090 1.875 1.00 0.00 C ATOM 1143 CG2 VAL A 72 5.885 7.159 3.510 1.00 0.00 C ATOM 0 H VAL A 72 6.330 9.465 4.800 1.00 0.00 H new ATOM 0 HA VAL A 72 8.531 7.639 4.393 1.00 0.00 H new ATOM 0 HB VAL A 72 6.597 8.797 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.088 6.723 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.556 7.689 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.238 6.244 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.220 6.792 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.290 6.314 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.327 7.806 4.187 1.00 0.00 H new ATOM 1153 N THR A 73 10.158 8.968 3.021 1.00 0.00 N ATOM 1154 CA THR A 73 11.185 9.800 2.405 1.00 0.00 C ATOM 1155 C THR A 73 11.828 9.082 1.222 1.00 0.00 C ATOM 1156 O THR A 73 11.426 7.977 0.861 1.00 0.00 O ATOM 1157 CB THR A 73 12.254 10.171 3.434 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.370 9.163 4.423 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.975 11.479 4.141 1.00 0.00 C ATOM 0 H THR A 73 10.441 8.003 3.190 1.00 0.00 H new ATOM 0 HA THR A 73 10.710 10.711 2.040 1.00 0.00 H new ATOM 0 HB THR A 73 13.178 10.274 2.866 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.662 9.277 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.771 11.683 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.930 12.286 3.409 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.023 11.412 4.667 1.00 0.00 H new ATOM 1167 N GLU A 74 12.830 9.718 0.624 1.00 0.00 N ATOM 1168 CA GLU A 74 13.527 9.140 -0.518 1.00 0.00 C ATOM 1169 C GLU A 74 14.357 7.933 -0.094 1.00 0.00 C ATOM 1170 O GLU A 74 14.553 6.997 -0.869 1.00 0.00 O ATOM 1171 CB GLU A 74 14.429 10.189 -1.175 1.00 0.00 C ATOM 1172 CG GLU A 74 13.792 10.872 -2.375 1.00 0.00 C ATOM 1173 CD GLU A 74 14.818 11.413 -3.350 1.00 0.00 C ATOM 1174 OE1 GLU A 74 15.952 10.889 -3.372 1.00 0.00 O ATOM 1175 OE2 GLU A 74 14.490 12.361 -4.093 1.00 0.00 O ATOM 0 H GLU A 74 13.177 10.633 0.911 1.00 0.00 H new ATOM 0 HA GLU A 74 12.780 8.809 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.693 10.944 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.358 9.713 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.145 10.163 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.158 11.689 -2.029 1.00 0.00 H new ATOM 1182 N ASP A 75 14.843 7.960 1.144 1.00 0.00 N ATOM 1183 CA ASP A 75 15.653 6.868 1.672 1.00 0.00 C ATOM 1184 C ASP A 75 14.779 5.682 2.069 1.00 0.00 C ATOM 1185 O ASP A 75 15.178 4.527 1.919 1.00 0.00 O ATOM 1186 CB ASP A 75 16.463 7.344 2.878 1.00 0.00 C ATOM 1187 CG ASP A 75 15.596 8.003 3.934 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.405 9.235 3.860 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.109 7.286 4.834 1.00 0.00 O ATOM 0 H ASP A 75 14.690 8.726 1.800 1.00 0.00 H new ATOM 0 HA ASP A 75 16.337 6.545 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.986 6.495 3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.224 8.049 2.545 1.00 0.00 H new ATOM 1194 N LYS A 76 13.587 5.975 2.577 1.00 0.00 N ATOM 1195 CA LYS A 76 12.657 4.931 2.996 1.00 0.00 C ATOM 1196 C LYS A 76 12.083 4.196 1.790 1.00 0.00 C ATOM 1197 O LYS A 76 11.919 2.976 1.814 1.00 0.00 O ATOM 1198 CB LYS A 76 11.523 5.534 3.827 1.00 0.00 C ATOM 1199 CG LYS A 76 12.004 6.443 4.946 1.00 0.00 C ATOM 1200 CD LYS A 76 12.340 5.652 6.201 1.00 0.00 C ATOM 1201 CE LYS A 76 12.213 6.507 7.450 1.00 0.00 C ATOM 1202 NZ LYS A 76 13.532 7.025 7.906 1.00 0.00 N ATOM 0 H LYS A 76 13.242 6.926 2.709 1.00 0.00 H new ATOM 0 HA LYS A 76 13.206 4.214 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.863 6.100 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.930 4.727 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.884 6.994 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.234 7.180 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.675 4.792 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.356 5.264 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.544 7.344 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.759 5.919 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.401 7.603 8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.163 6.227 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.955 7.607 7.155 1.00 0.00 H new ATOM 1216 N LEU A 77 11.778 4.948 0.737 1.00 0.00 N ATOM 1217 CA LEU A 77 11.221 4.369 -0.481 1.00 0.00 C ATOM 1218 C LEU A 77 12.320 3.800 -1.379 1.00 0.00 C ATOM 1219 O LEU A 77 12.036 3.084 -2.338 1.00 0.00 O ATOM 1220 CB LEU A 77 10.416 5.422 -1.245 1.00 0.00 C ATOM 1221 CG LEU A 77 9.141 4.906 -1.916 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.475 3.836 -2.942 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.169 4.365 -0.873 1.00 0.00 C ATOM 0 H LEU A 77 11.907 5.959 0.702 1.00 0.00 H new ATOM 0 HA LEU A 77 10.562 3.551 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.146 6.222 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.057 5.863 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 77 8.662 5.738 -2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.557 3.481 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.131 4.255 -3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.977 3.003 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.268 4.003 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.638 3.546 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.905 5.160 -0.175 1.00 0.00 H new ATOM 1235 N GLU A 78 13.573 4.122 -1.066 1.00 0.00 N ATOM 1236 CA GLU A 78 14.701 3.637 -1.853 1.00 0.00 C ATOM 1237 C GLU A 78 15.119 2.240 -1.406 1.00 0.00 C ATOM 1238 O GLU A 78 15.422 1.378 -2.233 1.00 0.00 O ATOM 1239 CB GLU A 78 15.884 4.600 -1.731 1.00 0.00 C ATOM 1240 CG GLU A 78 15.965 5.609 -2.865 1.00 0.00 C ATOM 1241 CD GLU A 78 17.127 6.571 -2.709 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.200 7.247 -1.662 1.00 0.00 O ATOM 1243 OE2 GLU A 78 17.964 6.647 -3.634 1.00 0.00 O ATOM 0 H GLU A 78 13.831 4.714 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 78 14.388 3.585 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.810 5.135 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.809 4.024 -1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.062 5.078 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.034 6.174 -2.911 1.00 0.00 H new ATOM 1250 N LYS A 79 15.135 2.021 -0.096 1.00 0.00 N ATOM 1251 CA LYS A 79 15.517 0.728 0.458 1.00 0.00 C ATOM 1252 C LYS A 79 14.294 -0.152 0.691 1.00 0.00 C ATOM 1253 O LYS A 79 14.197 -1.255 0.153 1.00 0.00 O ATOM 1254 CB LYS A 79 16.283 0.918 1.770 1.00 0.00 C ATOM 1255 CG LYS A 79 17.350 -0.136 2.011 1.00 0.00 C ATOM 1256 CD LYS A 79 18.116 0.132 3.296 1.00 0.00 C ATOM 1257 CE LYS A 79 17.245 -0.101 4.520 1.00 0.00 C ATOM 1258 NZ LYS A 79 17.989 0.148 5.786 1.00 0.00 N ATOM 0 H LYS A 79 14.888 2.722 0.602 1.00 0.00 H new ATOM 0 HA LYS A 79 16.164 0.230 -0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.751 1.902 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.576 0.903 2.599 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.886 -1.121 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.043 -0.153 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.991 -0.516 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.480 1.159 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.374 0.553 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.874 -1.126 4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.354 0.589 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.342 -0.754 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.791 0.783 5.598 1.00 0.00 H new ATOM 1272 N TYR A 80 13.360 0.345 1.495 1.00 0.00 N ATOM 1273 CA TYR A 80 12.139 -0.394 1.801 1.00 0.00 C ATOM 1274 C TYR A 80 11.209 -0.457 0.588 1.00 0.00 C ATOM 1275 O TYR A 80 10.231 -1.204 0.586 1.00 0.00 O ATOM 1276 CB TYR A 80 11.410 0.251 2.981 1.00 0.00 C ATOM 1277 CG TYR A 80 12.326 0.630 4.123 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.166 -0.309 4.707 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.350 1.928 4.618 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.005 0.035 5.750 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.185 2.279 5.661 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.010 1.328 6.224 1.00 0.00 C ATOM 1283 OH TYR A 80 14.842 1.673 7.264 1.00 0.00 O ATOM 0 H TYR A 80 13.425 1.257 1.947 1.00 0.00 H new ATOM 0 HA TYR A 80 12.424 -1.412 2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.889 1.143 2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.650 -0.438 3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.164 -1.325 4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.705 2.675 4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.654 -0.707 6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.192 3.293 6.034 1.00 0.00 H new ATOM 0 HH TYR A 80 14.724 2.622 7.476 1.00 0.00 H new ATOM 1293 N GLY A 81 11.516 0.332 -0.438 1.00 0.00 N ATOM 1294 CA GLY A 81 10.694 0.348 -1.635 1.00 0.00 C ATOM 1295 C GLY A 81 10.626 -1.001 -2.329 1.00 0.00 C ATOM 1296 O GLY A 81 9.781 -1.211 -3.199 1.00 0.00 O ATOM 0 H GLY A 81 12.319 0.960 -0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.685 0.666 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.090 1.088 -2.330 1.00 0.00 H new ATOM 1300 N ALA A 82 11.518 -1.914 -1.959 1.00 0.00 N ATOM 1301 CA ALA A 82 11.545 -3.238 -2.566 1.00 0.00 C ATOM 1302 C ALA A 82 10.810 -4.267 -1.709 1.00 0.00 C ATOM 1303 O ALA A 82 10.332 -5.281 -2.218 1.00 0.00 O ATOM 1304 CB ALA A 82 12.982 -3.679 -2.798 1.00 0.00 C ATOM 0 H ALA A 82 12.229 -1.761 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 82 11.028 -3.175 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.990 -4.670 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.477 -2.971 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.511 -3.712 -1.845 1.00 0.00 H new ATOM 1310 N GLU A 83 10.735 -4.012 -0.405 1.00 0.00 N ATOM 1311 CA GLU A 83 10.070 -4.933 0.513 1.00 0.00 C ATOM 1312 C GLU A 83 8.626 -4.516 0.793 1.00 0.00 C ATOM 1313 O GLU A 83 7.683 -5.189 0.370 1.00 0.00 O ATOM 1314 CB GLU A 83 10.850 -5.018 1.826 1.00 0.00 C ATOM 1315 CG GLU A 83 11.735 -6.251 1.927 1.00 0.00 C ATOM 1316 CD GLU A 83 11.275 -7.215 3.005 1.00 0.00 C ATOM 1317 OE1 GLU A 83 10.050 -7.425 3.130 1.00 0.00 O ATOM 1318 OE2 GLU A 83 12.139 -7.758 3.724 1.00 0.00 O ATOM 0 H GLU A 83 11.124 -3.180 0.038 1.00 0.00 H new ATOM 0 HA GLU A 83 10.046 -5.913 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.469 -4.127 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.146 -5.016 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.746 -6.765 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.759 -5.942 2.135 1.00 0.00 H new ATOM 1325 N VAL A 84 8.456 -3.416 1.522 1.00 0.00 N ATOM 1326 CA VAL A 84 7.125 -2.929 1.872 1.00 0.00 C ATOM 1327 C VAL A 84 6.245 -2.753 0.637 1.00 0.00 C ATOM 1328 O VAL A 84 5.030 -2.949 0.699 1.00 0.00 O ATOM 1329 CB VAL A 84 7.189 -1.604 2.658 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.914 -0.539 1.858 1.00 0.00 C ATOM 1331 CG2 VAL A 84 5.790 -1.140 3.046 1.00 0.00 C ATOM 0 H VAL A 84 9.222 -2.846 1.881 1.00 0.00 H new ATOM 0 HA VAL A 84 6.678 -3.690 2.512 1.00 0.00 H new ATOM 0 HB VAL A 84 7.753 -1.777 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.947 0.387 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.930 -0.872 1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.386 -0.366 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.858 -0.204 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.195 -0.987 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.316 -1.897 3.670 1.00 0.00 H new ATOM 1341 N ILE A 85 6.855 -2.391 -0.486 1.00 0.00 N ATOM 1342 CA ILE A 85 6.109 -2.204 -1.724 1.00 0.00 C ATOM 1343 C ILE A 85 5.658 -3.546 -2.283 1.00 0.00 C ATOM 1344 O ILE A 85 4.585 -3.654 -2.878 1.00 0.00 O ATOM 1345 CB ILE A 85 6.942 -1.462 -2.786 1.00 0.00 C ATOM 1346 CG1 ILE A 85 7.484 -0.151 -2.212 1.00 0.00 C ATOM 1347 CG2 ILE A 85 6.106 -1.197 -4.031 1.00 0.00 C ATOM 1348 CD1 ILE A 85 6.404 0.863 -1.896 1.00 0.00 C ATOM 0 H ILE A 85 7.858 -2.222 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 85 5.237 -1.595 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 85 7.786 -2.091 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.046 -0.366 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.184 0.286 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.711 -0.672 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.764 -2.144 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.244 -0.585 -3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.860 1.767 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.857 1.108 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.716 0.445 -1.161 1.00 0.00 H new ATOM 1360 N SER A 86 6.477 -4.573 -2.074 1.00 0.00 N ATOM 1361 CA SER A 86 6.153 -5.913 -2.546 1.00 0.00 C ATOM 1362 C SER A 86 4.822 -6.370 -1.957 1.00 0.00 C ATOM 1363 O SER A 86 4.084 -7.133 -2.578 1.00 0.00 O ATOM 1364 CB SER A 86 7.260 -6.897 -2.162 1.00 0.00 C ATOM 1365 OG SER A 86 7.271 -8.017 -3.029 1.00 0.00 O ATOM 0 H SER A 86 7.368 -4.502 -1.582 1.00 0.00 H new ATOM 0 HA SER A 86 6.070 -5.887 -3.633 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.227 -6.395 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.114 -7.230 -1.134 1.00 0.00 H new ATOM 0 HG SER A 86 7.988 -8.630 -2.763 1.00 0.00 H new ATOM 1371 N VAL A 87 4.522 -5.881 -0.756 1.00 0.00 N ATOM 1372 CA VAL A 87 3.277 -6.221 -0.079 1.00 0.00 C ATOM 1373 C VAL A 87 2.128 -5.355 -0.586 1.00 0.00 C ATOM 1374 O VAL A 87 0.960 -5.716 -0.449 1.00 0.00 O ATOM 1375 CB VAL A 87 3.399 -6.045 1.448 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.207 -6.675 2.155 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.703 -6.640 1.956 1.00 0.00 C ATOM 0 H VAL A 87 5.126 -5.247 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 87 3.071 -7.268 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 87 3.404 -4.978 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.310 -6.541 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.288 -6.196 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.168 -7.739 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.768 -6.505 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.733 -7.704 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.543 -6.138 1.476 1.00 0.00 H new ATOM 1387 N LEU A 88 2.468 -4.208 -1.169 1.00 0.00 N ATOM 1388 CA LEU A 88 1.463 -3.288 -1.689 1.00 0.00 C ATOM 1389 C LEU A 88 1.032 -3.673 -3.100 1.00 0.00 C ATOM 1390 O LEU A 88 -0.075 -3.346 -3.529 1.00 0.00 O ATOM 1391 CB LEU A 88 1.994 -1.855 -1.676 1.00 0.00 C ATOM 1392 CG LEU A 88 1.818 -1.115 -0.347 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.120 -0.455 0.080 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.703 -0.082 -0.452 1.00 0.00 C ATOM 0 H LEU A 88 3.431 -3.895 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 88 0.590 -3.351 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.054 -1.874 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.491 -1.289 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 88 1.541 -1.844 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.971 0.065 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.891 -1.216 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.432 0.260 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.593 0.433 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.949 0.642 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.233 -0.581 -0.705 1.00 0.00 H new ATOM 1406 N GLN A 89 1.906 -4.370 -3.821 1.00 0.00 N ATOM 1407 CA GLN A 89 1.603 -4.796 -5.185 1.00 0.00 C ATOM 1408 C GLN A 89 0.259 -5.517 -5.240 1.00 0.00 C ATOM 1409 O GLN A 89 -0.456 -5.446 -6.240 1.00 0.00 O ATOM 1410 CB GLN A 89 2.708 -5.709 -5.715 1.00 0.00 C ATOM 1411 CG GLN A 89 2.693 -5.868 -7.227 1.00 0.00 C ATOM 1412 CD GLN A 89 3.959 -6.511 -7.759 1.00 0.00 C ATOM 1413 OE1 GLN A 89 4.832 -6.918 -6.992 1.00 0.00 O ATOM 1414 NE2 GLN A 89 4.066 -6.606 -9.080 1.00 0.00 N ATOM 0 H GLN A 89 2.827 -4.651 -3.485 1.00 0.00 H new ATOM 0 HA GLN A 89 1.546 -3.908 -5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.675 -5.310 -5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.608 -6.692 -5.254 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.834 -6.473 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.565 -4.890 -7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.318 -6.256 -9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.896 -7.029 -9.495 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.079 -6.206 -4.156 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.338 -6.937 -4.074 1.00 0.00 C ATOM 1425 C LYS A 90 -2.523 -5.978 -4.110 1.00 0.00 C ATOM 1426 O LYS A 90 -3.499 -6.209 -4.822 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.383 -7.778 -2.797 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.150 -8.641 -2.595 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.473 -9.901 -1.809 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.129 -9.742 -0.335 1.00 0.00 C ATOM 1431 NZ LYS A 90 -0.918 -10.670 0.523 1.00 0.00 N ATOM 0 H LYS A 90 0.502 -6.274 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.403 -7.600 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.497 -7.115 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.264 -8.419 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.267 -8.913 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.614 -8.068 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.533 -10.135 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.081 -10.743 -2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.935 -9.928 -0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.318 -8.714 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.253 -10.163 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.735 -11.028 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.318 -11.468 0.814 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.429 -4.897 -3.340 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.496 -3.903 -3.290 1.00 0.00 C ATOM 1447 C TYR A 91 -3.726 -3.296 -4.669 1.00 0.00 C ATOM 1448 O TYR A 91 -4.862 -3.036 -5.064 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.163 -2.795 -2.285 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.467 -3.277 -1.030 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.704 -4.549 -0.520 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.571 -2.458 -0.357 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.064 -4.987 0.626 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -0.930 -2.890 0.789 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.178 -4.155 1.275 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.540 -4.590 2.415 1.00 0.00 O ATOM 0 H TYR A 91 -1.628 -4.688 -2.744 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.407 -4.406 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.530 -2.055 -2.775 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.086 -2.288 -2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.398 -5.204 -1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.371 -1.466 -0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.258 -5.977 1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.238 -2.238 1.301 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.662 -5.558 2.509 1.00 0.00 H new ATOM 1466 N SER A 92 -2.636 -3.075 -5.399 1.00 0.00 N ATOM 1467 CA SER A 92 -2.712 -2.501 -6.737 1.00 0.00 C ATOM 1468 C SER A 92 -3.575 -3.366 -7.651 1.00 0.00 C ATOM 1469 O SER A 92 -4.218 -2.865 -8.572 1.00 0.00 O ATOM 1470 CB SER A 92 -1.310 -2.352 -7.331 1.00 0.00 C ATOM 1471 OG SER A 92 -1.331 -1.535 -8.489 1.00 0.00 O ATOM 0 H SER A 92 -1.689 -3.286 -5.085 1.00 0.00 H new ATOM 0 HA SER A 92 -3.172 -1.516 -6.658 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.641 -1.918 -6.588 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.912 -3.335 -7.583 1.00 0.00 H new ATOM 0 HG SER A 92 -0.423 -1.454 -8.849 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.583 -4.670 -7.388 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.366 -5.605 -8.187 1.00 0.00 C ATOM 1479 C GLU A 93 -5.827 -5.612 -7.745 1.00 0.00 C ATOM 1480 O GLU A 93 -6.724 -5.883 -8.544 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.780 -7.015 -8.077 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.485 -7.196 -8.849 1.00 0.00 C ATOM 1483 CD GLU A 93 -2.377 -8.565 -9.494 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -3.430 -9.142 -9.840 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -1.241 -9.058 -9.652 1.00 0.00 O ATOM 0 H GLU A 93 -3.056 -5.102 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.323 -5.280 -9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.602 -7.245 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.514 -7.734 -8.441 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.416 -6.429 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.641 -7.048 -8.175 1.00 0.00 H new