USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 679 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 40 THR OG1 : rot 84:sc= 0.902! USER MOD Set 1.2: A 51 TYR OH : rot -116:sc= 0.0356 USER MOD Set 1.3: A 71 HIS : no HD1:sc= 0.82! C(o=1.8!,f=-6.5!) USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 50 ASN : amide:sc= -1.77 K(o=-3.2,f=-1.3) USER MOD Set 3.2: A 52 LYS NZ :NH3+ -133:sc= -1.46 (180deg=-2.79!) USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 33 SER OG : rot -155:sc= -0.484 USER MOD Set 5.3: A 76 ASN : amide:sc= 0.277 K(o=-0.21,f=-0.78) USER MOD Single : A 23 ASN : amide:sc= -1.35 K(o=-1.3,f=-4.3!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 10:sc= 0.0239 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.251 K(o=-0.25,f=-1.8!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 95:sc= 0.439 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.19) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 105:sc= 0.909 USER MOD Single : A 72 SER OG : rot 31:sc= 0.0114 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 57:sc= 0.211 USER MOD Single : A 84 TYR OH : rot 100:sc= 0.4 USER MOD Single : A 85 SER OG : rot 180:sc= -0.632 USER MOD Single : A 92 ASN : amide:sc= -6.29! C(o=-6.3!,f=-9.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -2.82 X(o=-2.8,f=-2.6) USER MOD Single : A 99 SER OG : rot -120:sc= -0.518 USER MOD Single : A 100 THR OG1 : rot -100:sc= 0.882 USER MOD Single : A 107 THR OG1 : rot 171:sc= 0.703 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 14.853 0.959 -11.360 1.00 0.00 N ATOM 215 CA LEU A 17 13.468 1.097 -10.922 1.00 0.00 C ATOM 216 C LEU A 17 13.308 2.294 -9.991 1.00 0.00 C ATOM 217 O LEU A 17 14.262 2.757 -9.365 1.00 0.00 O ATOM 218 CB LEU A 17 13.006 -0.179 -10.216 1.00 0.00 C ATOM 219 CG LEU A 17 12.393 -1.257 -11.111 1.00 0.00 C ATOM 220 CD1 LEU A 17 11.095 -0.762 -11.730 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.378 -1.675 -12.193 1.00 0.00 C ATOM 0 HA LEU A 17 12.849 1.261 -11.804 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.860 -0.611 -9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.273 0.095 -9.457 1.00 0.00 H new ATOM 0 HG LEU A 17 12.168 -2.129 -10.496 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.673 -1.542 -12.364 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.386 -0.514 -10.940 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.294 0.125 -12.331 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.925 -2.443 -12.820 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.634 -0.810 -12.805 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.281 -2.072 -11.729 1.00 0.00 H new ATOM 233 N PRO A 18 12.072 2.807 -9.893 1.00 0.00 N ATOM 234 CA PRO A 18 11.757 3.955 -9.037 1.00 0.00 C ATOM 235 C PRO A 18 11.838 3.612 -7.554 1.00 0.00 C ATOM 236 O PRO A 18 11.703 2.452 -7.167 1.00 0.00 O ATOM 237 CB PRO A 18 10.319 4.304 -9.428 1.00 0.00 C ATOM 238 CG PRO A 18 9.748 3.031 -9.949 1.00 0.00 C ATOM 239 CD PRO A 18 10.888 2.306 -10.610 1.00 0.00 C ATOM 0 HA PRO A 18 12.462 4.774 -9.177 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.754 4.670 -8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.294 5.088 -10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.322 2.435 -9.142 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.945 3.226 -10.660 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.787 1.225 -10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.941 2.527 -11.676 1.00 0.00 H new ATOM 247 N GLY A 19 12.059 4.629 -6.727 1.00 0.00 N ATOM 248 CA GLY A 19 12.153 4.414 -5.295 1.00 0.00 C ATOM 249 C GLY A 19 10.795 4.377 -4.623 1.00 0.00 C ATOM 250 O GLY A 19 9.765 4.646 -5.242 1.00 0.00 O ATOM 0 H GLY A 19 12.175 5.598 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.674 3.476 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.753 5.208 -4.850 1.00 0.00 H new ATOM 254 N PRO A 20 10.781 4.034 -3.326 1.00 0.00 N ATOM 255 CA PRO A 20 9.545 3.953 -2.543 1.00 0.00 C ATOM 256 C PRO A 20 8.928 5.324 -2.288 1.00 0.00 C ATOM 257 O PRO A 20 9.641 6.308 -2.090 1.00 0.00 O ATOM 258 CB PRO A 20 10.000 3.318 -1.226 1.00 0.00 C ATOM 259 CG PRO A 20 11.444 3.668 -1.117 1.00 0.00 C ATOM 260 CD PRO A 20 11.970 3.700 -2.526 1.00 0.00 C ATOM 0 HA PRO A 20 8.772 3.386 -3.061 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.433 3.709 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.854 2.238 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.576 4.634 -0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.980 2.932 -0.517 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.756 4.445 -2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.394 2.740 -2.818 1.00 0.00 H new ATOM 268 N ALA A 21 7.601 5.381 -2.294 1.00 0.00 N ATOM 269 CA ALA A 21 6.889 6.632 -2.061 1.00 0.00 C ATOM 270 C ALA A 21 7.010 7.069 -0.605 1.00 0.00 C ATOM 271 O ALA A 21 6.533 6.399 0.311 1.00 0.00 O ATOM 272 CB ALA A 21 5.425 6.487 -2.451 1.00 0.00 C ATOM 0 H ALA A 21 6.997 4.576 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 21 7.345 7.402 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.906 7.428 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.354 6.229 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.966 5.700 -1.853 1.00 0.00 H new ATOM 278 N PRO A 22 7.663 8.220 -0.385 1.00 0.00 N ATOM 279 CA PRO A 22 7.862 8.772 0.959 1.00 0.00 C ATOM 280 C PRO A 22 6.562 9.278 1.576 1.00 0.00 C ATOM 281 O PRO A 22 5.490 9.138 0.989 1.00 0.00 O ATOM 282 CB PRO A 22 8.830 9.934 0.725 1.00 0.00 C ATOM 283 CG PRO A 22 8.607 10.334 -0.693 1.00 0.00 C ATOM 284 CD PRO A 22 8.257 9.071 -1.430 1.00 0.00 C ATOM 0 HA PRO A 22 8.235 8.022 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.628 10.761 1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.863 9.629 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.803 11.066 -0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.500 10.796 -1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.554 9.261 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.138 8.607 -1.873 1.00 0.00 H new ATOM 292 N ASN A 23 6.666 9.867 2.763 1.00 0.00 N ATOM 293 CA ASN A 23 5.498 10.394 3.459 1.00 0.00 C ATOM 294 C ASN A 23 4.300 9.464 3.293 1.00 0.00 C ATOM 295 O ASN A 23 3.208 9.899 2.925 1.00 0.00 O ATOM 296 CB ASN A 23 5.152 11.789 2.935 1.00 0.00 C ATOM 297 CG ASN A 23 6.333 12.738 2.993 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.717 13.331 1.984 1.00 0.00 O ATOM 299 ND2 ASN A 23 6.917 12.885 4.176 1.00 0.00 N ATOM 0 H ASN A 23 7.547 9.991 3.263 1.00 0.00 H new ATOM 0 HA ASN A 23 5.738 10.462 4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.802 11.711 1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.330 12.200 3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.717 13.509 4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.565 12.374 4.985 1.00 0.00 H new ATOM 306 N LEU A 24 4.512 8.181 3.566 1.00 0.00 N ATOM 307 CA LEU A 24 3.449 7.188 3.448 1.00 0.00 C ATOM 308 C LEU A 24 2.621 7.122 4.727 1.00 0.00 C ATOM 309 O LEU A 24 3.033 6.511 5.713 1.00 0.00 O ATOM 310 CB LEU A 24 4.042 5.813 3.138 1.00 0.00 C ATOM 311 CG LEU A 24 3.037 4.678 2.940 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.137 4.964 1.748 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.760 3.351 2.758 1.00 0.00 C ATOM 0 H LEU A 24 5.410 7.804 3.870 1.00 0.00 H new ATOM 0 HA LEU A 24 2.794 7.487 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.648 5.896 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.715 5.538 3.950 1.00 0.00 H new ATOM 0 HG LEU A 24 2.414 4.610 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.428 4.145 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.592 5.893 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.744 5.059 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.029 2.555 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.408 3.407 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.362 3.140 3.642 1.00 0.00 H new ATOM 325 N ARG A 25 1.451 7.751 4.702 1.00 0.00 N ATOM 326 CA ARG A 25 0.565 7.763 5.859 1.00 0.00 C ATOM 327 C ARG A 25 -0.678 6.916 5.600 1.00 0.00 C ATOM 328 O ARG A 25 -0.989 6.586 4.456 1.00 0.00 O ATOM 329 CB ARG A 25 0.156 9.197 6.201 1.00 0.00 C ATOM 330 CG ARG A 25 1.297 10.195 6.103 1.00 0.00 C ATOM 331 CD ARG A 25 2.135 10.210 7.372 1.00 0.00 C ATOM 332 NE ARG A 25 1.344 10.570 8.545 1.00 0.00 N ATOM 333 CZ ARG A 25 1.871 10.814 9.740 1.00 0.00 C ATOM 334 NH1 ARG A 25 3.183 10.736 9.918 1.00 0.00 N ATOM 335 NH2 ARG A 25 1.085 11.136 10.760 1.00 0.00 N ATOM 0 H ARG A 25 1.095 8.259 3.893 1.00 0.00 H new ATOM 0 HA ARG A 25 1.106 7.336 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.645 9.507 5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.249 9.219 7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.929 9.944 5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.895 11.191 5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.581 9.227 7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.955 10.918 7.256 1.00 0.00 H new ATOM 0 HE ARG A 25 0.332 10.638 8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.790 10.488 9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.585 10.924 10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.076 11.196 10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.490 11.323 11.677 1.00 0.00 H new ATOM 349 N ALA A 26 -1.384 6.568 6.670 1.00 0.00 N ATOM 350 CA ALA A 26 -2.593 5.761 6.559 1.00 0.00 C ATOM 351 C ALA A 26 -3.480 5.929 7.788 1.00 0.00 C ATOM 352 O ALA A 26 -3.017 5.804 8.922 1.00 0.00 O ATOM 353 CB ALA A 26 -2.234 4.296 6.361 1.00 0.00 C ATOM 0 H ALA A 26 -1.140 6.832 7.624 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.152 6.107 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.147 3.706 6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.648 4.185 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.650 3.946 7.212 1.00 0.00 H new ATOM 359 N TYR A 27 -4.757 6.212 7.556 1.00 0.00 N ATOM 360 CA TYR A 27 -5.708 6.400 8.645 1.00 0.00 C ATOM 361 C TYR A 27 -7.114 5.989 8.217 1.00 0.00 C ATOM 362 O TYR A 27 -7.522 6.220 7.080 1.00 0.00 O ATOM 363 CB TYR A 27 -5.709 7.859 9.103 1.00 0.00 C ATOM 364 CG TYR A 27 -5.913 8.848 7.978 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.845 9.269 7.195 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.174 9.359 7.696 1.00 0.00 C ATOM 367 CE1 TYR A 27 -5.027 10.173 6.166 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.365 10.262 6.668 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.289 10.666 5.906 1.00 0.00 C ATOM 370 OH TYR A 27 -6.474 11.565 4.881 1.00 0.00 O ATOM 0 H TYR A 27 -5.157 6.316 6.624 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.400 5.765 9.476 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.496 7.998 9.844 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.763 8.076 9.599 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.856 8.883 7.394 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.019 9.045 8.291 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.186 10.492 5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.352 10.649 6.462 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.421 11.813 4.830 1.00 0.00 H new ATOM 380 N ALA A 28 -7.851 5.377 9.139 1.00 0.00 N ATOM 381 CA ALA A 28 -9.212 4.936 8.860 1.00 0.00 C ATOM 382 C ALA A 28 -10.207 6.077 9.041 1.00 0.00 C ATOM 383 O ALA A 28 -10.432 6.546 10.157 1.00 0.00 O ATOM 384 CB ALA A 28 -9.580 3.764 9.757 1.00 0.00 C ATOM 0 H ALA A 28 -7.528 5.176 10.085 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.257 4.612 7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.599 3.444 9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.893 2.937 9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.512 4.069 10.801 1.00 0.00 H new ATOM 390 N ALA A 29 -10.800 6.519 7.938 1.00 0.00 N ATOM 391 CA ALA A 29 -11.772 7.605 7.975 1.00 0.00 C ATOM 392 C ALA A 29 -13.144 7.098 8.407 1.00 0.00 C ATOM 393 O ALA A 29 -13.943 7.845 8.971 1.00 0.00 O ATOM 394 CB ALA A 29 -11.861 8.281 6.616 1.00 0.00 C ATOM 0 H ALA A 29 -10.625 6.142 7.007 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.435 8.336 8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.591 9.090 6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.886 8.686 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.171 7.552 5.867 1.00 0.00 H new ATOM 400 N SER A 30 -13.411 5.824 8.137 1.00 0.00 N ATOM 401 CA SER A 30 -14.689 5.218 8.494 1.00 0.00 C ATOM 402 C SER A 30 -14.494 3.784 8.977 1.00 0.00 C ATOM 403 O SER A 30 -13.501 3.126 8.666 1.00 0.00 O ATOM 404 CB SER A 30 -15.640 5.240 7.296 1.00 0.00 C ATOM 405 OG SER A 30 -16.208 6.527 7.119 1.00 0.00 O ATOM 0 H SER A 30 -12.760 5.191 7.672 1.00 0.00 H new ATOM 0 HA SER A 30 -15.125 5.800 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.101 4.950 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.433 4.506 7.443 1.00 0.00 H new ATOM 0 HG SER A 30 -15.751 7.169 7.701 1.00 0.00 H new ATOM 411 N PRO A 31 -15.466 3.287 9.757 1.00 0.00 N ATOM 412 CA PRO A 31 -15.426 1.926 10.300 1.00 0.00 C ATOM 413 C PRO A 31 -15.615 0.865 9.221 1.00 0.00 C ATOM 414 O PRO A 31 -15.584 -0.334 9.501 1.00 0.00 O ATOM 415 CB PRO A 31 -16.598 1.902 11.284 1.00 0.00 C ATOM 416 CG PRO A 31 -17.537 2.943 10.780 1.00 0.00 C ATOM 417 CD PRO A 31 -16.678 4.015 10.169 1.00 0.00 C ATOM 0 HA PRO A 31 -14.463 1.698 10.757 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.072 0.921 11.311 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.268 2.125 12.299 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.223 2.526 10.043 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.145 3.345 11.590 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.170 4.489 9.320 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.449 4.804 10.886 1.00 0.00 H new ATOM 425 N THR A 32 -15.810 1.314 7.985 1.00 0.00 N ATOM 426 CA THR A 32 -16.004 0.403 6.863 1.00 0.00 C ATOM 427 C THR A 32 -15.070 0.745 5.709 1.00 0.00 C ATOM 428 O THR A 32 -15.000 0.019 4.718 1.00 0.00 O ATOM 429 CB THR A 32 -17.459 0.437 6.358 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.758 1.725 5.809 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.431 0.123 7.486 1.00 0.00 C ATOM 0 H THR A 32 -15.838 2.303 7.735 1.00 0.00 H new ATOM 0 HA THR A 32 -15.776 -0.599 7.226 1.00 0.00 H new ATOM 0 HB THR A 32 -17.569 -0.322 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.684 1.737 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.452 0.153 7.105 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.220 -0.870 7.882 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.318 0.861 8.280 1.00 0.00 H new ATOM 439 N SER A 33 -14.352 1.856 5.843 1.00 0.00 N ATOM 440 CA SER A 33 -13.423 2.296 4.809 1.00 0.00 C ATOM 441 C SER A 33 -12.130 2.820 5.427 1.00 0.00 C ATOM 442 O SER A 33 -12.028 2.968 6.646 1.00 0.00 O ATOM 443 CB SER A 33 -14.066 3.384 3.946 1.00 0.00 C ATOM 444 OG SER A 33 -15.243 2.907 3.318 1.00 0.00 O ATOM 0 H SER A 33 -14.396 2.468 6.658 1.00 0.00 H new ATOM 0 HA SER A 33 -13.184 1.438 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.305 4.249 4.564 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.357 3.719 3.189 1.00 0.00 H new ATOM 0 HG SER A 33 -15.415 3.428 2.506 1.00 0.00 H new ATOM 450 N ILE A 34 -11.146 3.098 4.579 1.00 0.00 N ATOM 451 CA ILE A 34 -9.860 3.606 5.041 1.00 0.00 C ATOM 452 C ILE A 34 -9.248 4.561 4.022 1.00 0.00 C ATOM 453 O ILE A 34 -9.361 4.353 2.813 1.00 0.00 O ATOM 454 CB ILE A 34 -8.868 2.460 5.314 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.391 1.560 6.436 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.499 3.019 5.672 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.599 0.283 6.604 1.00 0.00 C ATOM 0 H ILE A 34 -11.214 2.980 3.568 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.048 4.143 5.971 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.770 1.861 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.374 2.115 7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.432 1.308 6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.809 2.197 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.125 3.623 4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.581 3.638 6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.026 -0.306 7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.637 -0.293 5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.562 0.526 6.838 1.00 0.00 H new ATOM 469 N THR A 35 -8.598 5.609 4.517 1.00 0.00 N ATOM 470 CA THR A 35 -7.967 6.596 3.651 1.00 0.00 C ATOM 471 C THR A 35 -6.447 6.527 3.753 1.00 0.00 C ATOM 472 O THR A 35 -5.884 6.605 4.845 1.00 0.00 O ATOM 473 CB THR A 35 -8.428 8.025 3.997 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.837 8.152 3.776 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.683 9.052 3.159 1.00 0.00 C ATOM 0 H THR A 35 -8.495 5.796 5.514 1.00 0.00 H new ATOM 0 HA THR A 35 -8.271 6.360 2.631 1.00 0.00 H new ATOM 0 HB THR A 35 -8.208 8.210 5.048 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.122 9.062 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.026 10.053 3.421 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.613 8.972 3.352 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.875 8.868 2.102 1.00 0.00 H new ATOM 483 N VAL A 36 -5.788 6.379 2.608 1.00 0.00 N ATOM 484 CA VAL A 36 -4.333 6.301 2.569 1.00 0.00 C ATOM 485 C VAL A 36 -3.744 7.425 1.724 1.00 0.00 C ATOM 486 O VAL A 36 -4.220 7.705 0.623 1.00 0.00 O ATOM 487 CB VAL A 36 -3.858 4.948 2.005 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.343 4.841 2.077 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.518 3.799 2.753 1.00 0.00 C ATOM 0 H VAL A 36 -6.239 6.311 1.696 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.984 6.401 3.597 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.153 4.887 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.027 3.879 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.893 5.644 1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.021 4.923 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.172 2.851 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.256 3.854 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.600 3.868 2.644 1.00 0.00 H new ATOM 499 N THR A 37 -2.705 8.069 2.247 1.00 0.00 N ATOM 500 CA THR A 37 -2.051 9.164 1.542 1.00 0.00 C ATOM 501 C THR A 37 -0.539 8.971 1.508 1.00 0.00 C ATOM 502 O THR A 37 0.064 8.548 2.494 1.00 0.00 O ATOM 503 CB THR A 37 -2.369 10.522 2.194 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.816 10.573 3.514 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.872 10.752 2.260 1.00 0.00 C ATOM 0 H THR A 37 -2.299 7.851 3.157 1.00 0.00 H new ATOM 0 HA THR A 37 -2.438 9.159 0.523 1.00 0.00 H new ATOM 0 HB THR A 37 -1.923 11.307 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.021 11.440 3.921 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.072 11.718 2.724 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.286 10.741 1.252 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.335 9.962 2.851 1.00 0.00 H new ATOM 513 N TRP A 38 0.067 9.284 0.369 1.00 0.00 N ATOM 514 CA TRP A 38 1.511 9.146 0.208 1.00 0.00 C ATOM 515 C TRP A 38 2.078 10.292 -0.621 1.00 0.00 C ATOM 516 O TRP A 38 1.342 11.173 -1.064 1.00 0.00 O ATOM 517 CB TRP A 38 1.845 7.807 -0.453 1.00 0.00 C ATOM 518 CG TRP A 38 1.168 7.613 -1.776 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.556 8.130 -2.979 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.017 6.850 -2.029 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.684 7.734 -3.965 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.289 6.947 -3.407 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.873 6.092 -1.225 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.381 6.316 -3.996 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.957 5.466 -1.811 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.203 5.580 -3.186 1.00 0.00 C ATOM 0 H TRP A 38 -0.418 9.635 -0.457 1.00 0.00 H new ATOM 0 HA TRP A 38 1.967 9.179 1.197 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.924 7.737 -0.591 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.556 6.997 0.217 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.421 8.758 -3.133 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.750 7.985 -4.951 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.691 5.997 -0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.573 6.404 -5.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.626 4.879 -1.199 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.057 5.078 -3.615 1.00 0.00 H new ATOM 537 N GLU A 39 3.392 10.275 -0.826 1.00 0.00 N ATOM 538 CA GLU A 39 4.057 11.315 -1.602 1.00 0.00 C ATOM 539 C GLU A 39 4.885 10.707 -2.731 1.00 0.00 C ATOM 540 O GLU A 39 5.154 9.505 -2.741 1.00 0.00 O ATOM 541 CB GLU A 39 4.953 12.163 -0.698 1.00 0.00 C ATOM 542 CG GLU A 39 4.197 13.223 0.087 1.00 0.00 C ATOM 543 CD GLU A 39 3.916 14.466 -0.734 1.00 0.00 C ATOM 544 OE1 GLU A 39 3.096 14.383 -1.673 1.00 0.00 O ATOM 545 OE2 GLU A 39 4.514 15.521 -0.438 1.00 0.00 O ATOM 0 H GLU A 39 4.016 9.553 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 39 3.289 11.952 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.474 11.508 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.715 12.649 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.255 12.805 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.775 13.498 0.969 1.00 0.00 H new ATOM 552 N THR A 40 5.286 11.545 -3.681 1.00 0.00 N ATOM 553 CA THR A 40 6.081 11.092 -4.815 1.00 0.00 C ATOM 554 C THR A 40 7.567 11.074 -4.472 1.00 0.00 C ATOM 555 O THR A 40 8.107 12.018 -3.896 1.00 0.00 O ATOM 556 CB THR A 40 5.861 11.986 -6.049 1.00 0.00 C ATOM 557 OG1 THR A 40 4.521 11.835 -6.531 1.00 0.00 O ATOM 558 CG2 THR A 40 6.846 11.635 -7.155 1.00 0.00 C ATOM 0 H THR A 40 5.073 12.542 -3.688 1.00 0.00 H new ATOM 0 HA THR A 40 5.752 10.079 -5.047 1.00 0.00 H new ATOM 0 HB THR A 40 6.026 13.022 -5.753 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.923 12.424 -6.025 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.671 12.280 -8.016 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.864 11.779 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.709 10.594 -7.447 1.00 0.00 H new ATOM 566 N PRO A 41 8.245 9.975 -4.835 1.00 0.00 N ATOM 567 CA PRO A 41 9.679 9.809 -4.577 1.00 0.00 C ATOM 568 C PRO A 41 10.533 10.738 -5.433 1.00 0.00 C ATOM 569 O PRO A 41 10.514 10.661 -6.661 1.00 0.00 O ATOM 570 CB PRO A 41 9.940 8.348 -4.951 1.00 0.00 C ATOM 571 CG PRO A 41 8.872 8.012 -5.935 1.00 0.00 C ATOM 572 CD PRO A 41 7.666 8.811 -5.525 1.00 0.00 C ATOM 0 HA PRO A 41 9.939 10.053 -3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.932 8.222 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.890 7.700 -4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.182 8.265 -6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.654 6.944 -5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.071 9.111 -6.387 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.010 8.240 -4.868 1.00 0.00 H new ATOM 580 N VAL A 42 11.283 11.617 -4.775 1.00 0.00 N ATOM 581 CA VAL A 42 12.147 12.561 -5.476 1.00 0.00 C ATOM 582 C VAL A 42 13.190 11.832 -6.315 1.00 0.00 C ATOM 583 O VAL A 42 13.429 12.184 -7.470 1.00 0.00 O ATOM 584 CB VAL A 42 12.863 13.504 -4.491 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.854 14.201 -3.590 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.886 12.737 -3.668 1.00 0.00 C ATOM 0 H VAL A 42 11.310 11.695 -3.758 1.00 0.00 H new ATOM 0 HA VAL A 42 11.506 13.151 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 42 13.390 14.267 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.378 14.863 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.164 14.784 -4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.296 13.455 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.382 13.419 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.384 11.951 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.626 12.291 -4.332 1.00 0.00 H new ATOM 650 N ILE A 48 7.146 8.592 -13.521 1.00 0.00 N ATOM 651 CA ILE A 48 6.201 7.592 -13.039 1.00 0.00 C ATOM 652 C ILE A 48 4.948 7.557 -13.907 1.00 0.00 C ATOM 653 O ILE A 48 4.368 8.597 -14.218 1.00 0.00 O ATOM 654 CB ILE A 48 5.794 7.860 -11.579 1.00 0.00 C ATOM 655 CG1 ILE A 48 7.036 8.021 -10.701 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.914 6.732 -11.059 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.858 6.757 -10.578 1.00 0.00 C ATOM 0 HA ILE A 48 6.706 6.628 -13.095 1.00 0.00 H new ATOM 0 HB ILE A 48 5.223 8.788 -11.541 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.662 8.813 -11.113 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.728 8.343 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.634 6.936 -10.025 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.015 6.660 -11.671 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.462 5.791 -11.108 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.722 6.946 -9.941 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.248 5.968 -10.138 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.196 6.445 -11.566 1.00 0.00 H new ATOM 669 N GLN A 49 4.535 6.354 -14.292 1.00 0.00 N ATOM 670 CA GLN A 49 3.349 6.183 -15.123 1.00 0.00 C ATOM 671 C GLN A 49 2.091 6.097 -14.265 1.00 0.00 C ATOM 672 O GLN A 49 1.229 6.972 -14.321 1.00 0.00 O ATOM 673 CB GLN A 49 3.480 4.926 -15.985 1.00 0.00 C ATOM 674 CG GLN A 49 4.418 5.096 -17.169 1.00 0.00 C ATOM 675 CD GLN A 49 4.195 4.052 -18.245 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.188 3.342 -18.238 1.00 0.00 O ATOM 677 NE2 GLN A 49 5.135 3.952 -19.178 1.00 0.00 N ATOM 0 H GLN A 49 5.004 5.483 -14.042 1.00 0.00 H new ATOM 0 HA GLN A 49 3.264 7.053 -15.774 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.838 4.105 -15.364 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.493 4.642 -16.351 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.280 6.089 -17.597 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.450 5.039 -16.821 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.953 4.560 -19.145 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.039 3.267 -19.927 1.00 0.00 H new ATOM 686 N ASN A 50 1.994 5.035 -13.472 1.00 0.00 N ATOM 687 CA ASN A 50 0.840 4.833 -12.603 1.00 0.00 C ATOM 688 C ASN A 50 1.277 4.359 -11.220 1.00 0.00 C ATOM 689 O ASN A 50 2.397 3.880 -11.042 1.00 0.00 O ATOM 690 CB ASN A 50 -0.121 3.817 -13.223 1.00 0.00 C ATOM 691 CG ASN A 50 0.247 2.387 -12.875 1.00 0.00 C ATOM 692 OD1 ASN A 50 0.902 1.695 -13.655 1.00 0.00 O ATOM 693 ND2 ASN A 50 -0.176 1.937 -11.699 1.00 0.00 N ATOM 0 H ASN A 50 2.700 4.301 -13.413 1.00 0.00 H new ATOM 0 HA ASN A 50 0.327 5.788 -12.495 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.135 4.023 -12.879 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.122 3.936 -14.307 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.039 0.983 -11.411 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.716 2.546 -11.084 1.00 0.00 H new ATOM 700 N TYR A 51 0.386 4.495 -10.245 1.00 0.00 N ATOM 701 CA TYR A 51 0.680 4.083 -8.878 1.00 0.00 C ATOM 702 C TYR A 51 -0.227 2.933 -8.449 1.00 0.00 C ATOM 703 O TYR A 51 -1.452 3.047 -8.482 1.00 0.00 O ATOM 704 CB TYR A 51 0.513 5.263 -7.919 1.00 0.00 C ATOM 705 CG TYR A 51 1.592 6.313 -8.058 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.919 6.015 -7.774 1.00 0.00 C ATOM 707 CD2 TYR A 51 1.285 7.603 -8.473 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.909 6.971 -7.898 1.00 0.00 C ATOM 709 CE2 TYR A 51 2.268 8.565 -8.602 1.00 0.00 C ATOM 710 CZ TYR A 51 3.578 8.244 -8.314 1.00 0.00 C ATOM 711 OH TYR A 51 4.560 9.200 -8.440 1.00 0.00 O ATOM 0 H TYR A 51 -0.546 4.888 -10.376 1.00 0.00 H new ATOM 0 HA TYR A 51 1.714 3.740 -8.844 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.458 5.727 -8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.510 4.890 -6.895 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.181 5.019 -7.451 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.260 7.858 -8.699 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.935 6.723 -7.671 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.012 9.563 -8.927 1.00 0.00 H new ATOM 0 HH TYR A 51 4.399 9.921 -7.796 1.00 0.00 H new ATOM 721 N LYS A 52 0.385 1.825 -8.045 1.00 0.00 N ATOM 722 CA LYS A 52 -0.364 0.653 -7.608 1.00 0.00 C ATOM 723 C LYS A 52 -0.518 0.642 -6.090 1.00 0.00 C ATOM 724 O LYS A 52 0.401 1.015 -5.360 1.00 0.00 O ATOM 725 CB LYS A 52 0.336 -0.627 -8.069 1.00 0.00 C ATOM 726 CG LYS A 52 -0.497 -1.882 -7.871 1.00 0.00 C ATOM 727 CD LYS A 52 -1.659 -1.940 -8.849 1.00 0.00 C ATOM 728 CE LYS A 52 -1.189 -2.301 -10.250 1.00 0.00 C ATOM 729 NZ LYS A 52 -0.794 -1.096 -11.030 1.00 0.00 N ATOM 0 H LYS A 52 1.398 1.714 -8.011 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.356 0.699 -8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.589 -0.532 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.274 -0.734 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.133 -2.762 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.878 -1.910 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.387 -2.675 -8.507 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.166 -0.975 -8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.343 -2.985 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.985 -2.829 -10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.223 -1.139 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.125 -0.241 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.242 -1.065 -11.120 1.00 0.00 H new ATOM 743 N LEU A 53 -1.684 0.210 -5.622 1.00 0.00 N ATOM 744 CA LEU A 53 -1.958 0.149 -4.190 1.00 0.00 C ATOM 745 C LEU A 53 -2.614 -1.177 -3.818 1.00 0.00 C ATOM 746 O LEU A 53 -3.582 -1.601 -4.450 1.00 0.00 O ATOM 747 CB LEU A 53 -2.858 1.312 -3.772 1.00 0.00 C ATOM 748 CG LEU A 53 -3.520 1.190 -2.400 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.488 1.344 -1.293 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.627 2.223 -2.247 1.00 0.00 C ATOM 0 H LEU A 53 -2.454 -0.103 -6.213 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.009 0.225 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.266 2.227 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.641 1.427 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.963 0.198 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.978 1.254 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.731 0.566 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.014 2.323 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.087 2.121 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.207 3.224 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.381 2.065 -3.018 1.00 0.00 H new ATOM 762 N TYR A 54 -2.084 -1.825 -2.787 1.00 0.00 N ATOM 763 CA TYR A 54 -2.618 -3.102 -2.330 1.00 0.00 C ATOM 764 C TYR A 54 -3.278 -2.959 -0.962 1.00 0.00 C ATOM 765 O TYR A 54 -3.049 -1.981 -0.249 1.00 0.00 O ATOM 766 CB TYR A 54 -1.506 -4.150 -2.265 1.00 0.00 C ATOM 767 CG TYR A 54 -0.902 -4.476 -3.612 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.239 -3.505 -4.352 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.993 -5.757 -4.145 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.314 -3.798 -5.584 1.00 0.00 C ATOM 771 CE2 TYR A 54 -0.442 -6.059 -5.375 1.00 0.00 C ATOM 772 CZ TYR A 54 0.210 -5.077 -6.091 1.00 0.00 C ATOM 773 OH TYR A 54 0.760 -5.374 -7.316 1.00 0.00 O ATOM 0 H TYR A 54 -1.284 -1.487 -2.252 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.373 -3.427 -3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.719 -3.792 -1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.905 -5.064 -1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.154 -2.503 -3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.503 -6.529 -3.588 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.825 -3.030 -6.147 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.521 -7.059 -5.774 1.00 0.00 H new ATOM 0 HH TYR A 54 0.600 -6.318 -7.526 1.00 0.00 H new ATOM 783 N TYR A 55 -4.097 -3.941 -0.602 1.00 0.00 N ATOM 784 CA TYR A 55 -4.792 -3.925 0.680 1.00 0.00 C ATOM 785 C TYR A 55 -5.267 -5.324 1.060 1.00 0.00 C ATOM 786 O TYR A 55 -5.867 -6.029 0.249 1.00 0.00 O ATOM 787 CB TYR A 55 -5.984 -2.967 0.626 1.00 0.00 C ATOM 788 CG TYR A 55 -7.106 -3.447 -0.266 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.973 -3.438 -1.649 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.300 -3.909 0.274 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.996 -3.875 -2.468 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.328 -4.350 -0.537 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.171 -4.331 -1.908 1.00 0.00 C ATOM 794 OH TYR A 55 -10.193 -4.767 -2.719 1.00 0.00 O ATOM 0 H TYR A 55 -4.296 -4.758 -1.180 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.091 -3.580 1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.370 -2.823 1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.642 -1.994 0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.054 -3.083 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.427 -3.924 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.876 -3.860 -3.541 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.249 -4.707 -0.101 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.949 -5.056 -2.166 1.00 0.00 H new ATOM 804 N MET A 56 -4.993 -5.718 2.299 1.00 0.00 N ATOM 805 CA MET A 56 -5.393 -7.032 2.788 1.00 0.00 C ATOM 806 C MET A 56 -5.609 -7.008 4.298 1.00 0.00 C ATOM 807 O MET A 56 -5.145 -6.099 4.985 1.00 0.00 O ATOM 808 CB MET A 56 -4.336 -8.078 2.429 1.00 0.00 C ATOM 809 CG MET A 56 -3.271 -8.258 3.499 1.00 0.00 C ATOM 810 SD MET A 56 -1.796 -9.089 2.879 1.00 0.00 S ATOM 811 CE MET A 56 -1.435 -10.198 4.239 1.00 0.00 C ATOM 0 H MET A 56 -4.496 -5.147 2.982 1.00 0.00 H new ATOM 0 HA MET A 56 -6.335 -7.299 2.308 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.828 -9.035 2.253 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.855 -7.791 1.494 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.993 -7.282 3.897 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.687 -8.833 4.326 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.546 -10.783 4.005 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.260 -9.618 5.145 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.280 -10.869 4.395 1.00 0.00 H new ATOM 821 N GLU A 57 -6.316 -8.012 4.807 1.00 0.00 N ATOM 822 CA GLU A 57 -6.593 -8.103 6.236 1.00 0.00 C ATOM 823 C GLU A 57 -5.505 -8.900 6.951 1.00 0.00 C ATOM 824 O GLU A 57 -5.137 -9.994 6.524 1.00 0.00 O ATOM 825 CB GLU A 57 -7.956 -8.755 6.473 1.00 0.00 C ATOM 826 CG GLU A 57 -8.354 -8.818 7.938 1.00 0.00 C ATOM 827 CD GLU A 57 -9.490 -9.791 8.193 1.00 0.00 C ATOM 828 OE1 GLU A 57 -9.717 -10.674 7.341 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.150 -9.667 9.246 1.00 0.00 O ATOM 0 H GLU A 57 -6.707 -8.773 4.252 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.606 -7.092 6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.716 -8.200 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.942 -9.766 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.489 -9.111 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.650 -7.824 8.273 1.00 0.00 H new ATOM 836 N LYS A 58 -4.993 -8.342 8.043 1.00 0.00 N ATOM 837 CA LYS A 58 -3.948 -8.998 8.820 1.00 0.00 C ATOM 838 C LYS A 58 -4.380 -10.400 9.239 1.00 0.00 C ATOM 839 O LYS A 58 -5.111 -10.569 10.213 1.00 0.00 O ATOM 840 CB LYS A 58 -3.606 -8.167 10.059 1.00 0.00 C ATOM 841 CG LYS A 58 -2.164 -8.314 10.511 1.00 0.00 C ATOM 842 CD LYS A 58 -1.256 -7.314 9.815 1.00 0.00 C ATOM 843 CE LYS A 58 0.192 -7.778 9.820 1.00 0.00 C ATOM 844 NZ LYS A 58 0.837 -7.569 11.146 1.00 0.00 N ATOM 0 H LYS A 58 -5.285 -7.436 8.410 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.062 -9.082 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.807 -7.117 9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.266 -8.460 10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.104 -8.172 11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.818 -9.327 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.590 -7.172 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.331 -6.346 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.235 -8.835 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.749 -7.237 9.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.823 -7.898 11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.818 -6.557 11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.321 -8.106 11.872 1.00 0.00 H new ATOM 858 N GLY A 59 -3.921 -11.402 8.495 1.00 0.00 N ATOM 859 CA GLY A 59 -4.270 -12.776 8.806 1.00 0.00 C ATOM 860 C GLY A 59 -5.042 -13.446 7.687 1.00 0.00 C ATOM 861 O GLY A 59 -5.902 -14.293 7.935 1.00 0.00 O ATOM 0 H GLY A 59 -3.314 -11.287 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.360 -13.342 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.866 -12.799 9.718 1.00 0.00 H new ATOM 865 N THR A 60 -4.737 -13.066 6.450 1.00 0.00 N ATOM 866 CA THR A 60 -5.411 -13.634 5.289 1.00 0.00 C ATOM 867 C THR A 60 -4.409 -14.249 4.318 1.00 0.00 C ATOM 868 O THR A 60 -4.739 -15.169 3.570 1.00 0.00 O ATOM 869 CB THR A 60 -6.241 -12.570 4.546 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.704 -11.578 5.469 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.429 -13.207 3.841 1.00 0.00 C ATOM 0 H THR A 60 -4.028 -12.368 6.227 1.00 0.00 H new ATOM 0 HA THR A 60 -6.078 -14.412 5.660 1.00 0.00 H new ATOM 0 HB THR A 60 -5.603 -12.100 3.798 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.079 -10.824 5.479 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.001 -12.437 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.073 -13.942 3.119 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.066 -13.700 4.575 1.00 0.00 H new ATOM 879 N ASP A 61 -3.184 -13.735 4.336 1.00 0.00 N ATOM 880 CA ASP A 61 -2.132 -14.235 3.458 1.00 0.00 C ATOM 881 C ASP A 61 -2.522 -14.067 1.993 1.00 0.00 C ATOM 882 O ASP A 61 -2.127 -14.861 1.139 1.00 0.00 O ATOM 883 CB ASP A 61 -1.846 -15.708 3.757 1.00 0.00 C ATOM 884 CG ASP A 61 -1.318 -15.921 5.162 1.00 0.00 C ATOM 885 OD1 ASP A 61 -0.264 -15.340 5.493 1.00 0.00 O ATOM 886 OD2 ASP A 61 -1.959 -16.670 5.929 1.00 0.00 O ATOM 0 H ASP A 61 -2.895 -12.973 4.949 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.230 -13.653 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.760 -16.287 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.120 -16.088 3.038 1.00 0.00 H new ATOM 891 N LYS A 62 -3.300 -13.028 1.708 1.00 0.00 N ATOM 892 CA LYS A 62 -3.744 -12.755 0.347 1.00 0.00 C ATOM 893 C LYS A 62 -4.135 -11.289 0.186 1.00 0.00 C ATOM 894 O LYS A 62 -5.121 -10.834 0.763 1.00 0.00 O ATOM 895 CB LYS A 62 -4.930 -13.652 -0.015 1.00 0.00 C ATOM 896 CG LYS A 62 -5.580 -13.295 -1.341 1.00 0.00 C ATOM 897 CD LYS A 62 -4.924 -14.029 -2.499 1.00 0.00 C ATOM 898 CE LYS A 62 -5.895 -14.233 -3.651 1.00 0.00 C ATOM 899 NZ LYS A 62 -5.186 -14.447 -4.943 1.00 0.00 N ATOM 0 H LYS A 62 -3.636 -12.361 2.403 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.915 -12.969 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.593 -14.688 -0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.678 -13.588 0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.641 -13.543 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.510 -12.220 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.059 -13.464 -2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.556 -14.996 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.533 -15.091 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.547 -13.364 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.883 -14.582 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.597 -13.617 -5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.583 -15.291 -4.872 1.00 0.00 H new ATOM 913 N GLU A 63 -3.354 -10.556 -0.603 1.00 0.00 N ATOM 914 CA GLU A 63 -3.620 -9.142 -0.839 1.00 0.00 C ATOM 915 C GLU A 63 -4.135 -8.915 -2.257 1.00 0.00 C ATOM 916 O GLU A 63 -3.912 -9.735 -3.148 1.00 0.00 O ATOM 917 CB GLU A 63 -2.353 -8.316 -0.606 1.00 0.00 C ATOM 918 CG GLU A 63 -1.331 -8.441 -1.723 1.00 0.00 C ATOM 919 CD GLU A 63 -0.461 -9.675 -1.582 1.00 0.00 C ATOM 920 OE1 GLU A 63 -0.271 -10.141 -0.439 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.032 -10.174 -2.616 1.00 0.00 O ATOM 0 H GLU A 63 -2.533 -10.918 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.389 -8.821 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.629 -7.268 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.894 -8.628 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.848 -8.473 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.698 -7.554 -1.732 1.00 0.00 H new ATOM 928 N GLN A 64 -4.825 -7.797 -2.458 1.00 0.00 N ATOM 929 CA GLN A 64 -5.373 -7.462 -3.767 1.00 0.00 C ATOM 930 C GLN A 64 -4.628 -6.283 -4.384 1.00 0.00 C ATOM 931 O GLN A 64 -3.673 -5.767 -3.803 1.00 0.00 O ATOM 932 CB GLN A 64 -6.863 -7.136 -3.652 1.00 0.00 C ATOM 933 CG GLN A 64 -7.755 -8.367 -3.621 1.00 0.00 C ATOM 934 CD GLN A 64 -7.734 -9.135 -4.928 1.00 0.00 C ATOM 935 OE1 GLN A 64 -7.414 -10.324 -4.958 1.00 0.00 O ATOM 936 NE2 GLN A 64 -8.076 -8.459 -6.018 1.00 0.00 N ATOM 0 H GLN A 64 -5.018 -7.108 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.247 -8.328 -4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.030 -6.554 -2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.155 -6.507 -4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.434 -9.024 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.778 -8.064 -3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.334 -7.475 -5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.081 -8.924 -6.926 1.00 0.00 H new ATOM 945 N ASP A 65 -5.071 -5.861 -5.563 1.00 0.00 N ATOM 946 CA ASP A 65 -4.447 -4.741 -6.258 1.00 0.00 C ATOM 947 C ASP A 65 -5.502 -3.825 -6.870 1.00 0.00 C ATOM 948 O ASP A 65 -6.437 -4.287 -7.524 1.00 0.00 O ATOM 949 CB ASP A 65 -3.504 -5.252 -7.348 1.00 0.00 C ATOM 950 CG ASP A 65 -4.216 -5.490 -8.665 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.885 -6.536 -8.798 1.00 0.00 O ATOM 952 OD2 ASP A 65 -4.105 -4.629 -9.563 1.00 0.00 O ATOM 0 H ASP A 65 -5.860 -6.278 -6.058 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.873 -4.168 -5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.701 -4.530 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.040 -6.181 -7.016 1.00 0.00 H new ATOM 957 N VAL A 66 -5.347 -2.523 -6.651 1.00 0.00 N ATOM 958 CA VAL A 66 -6.286 -1.541 -7.180 1.00 0.00 C ATOM 959 C VAL A 66 -5.557 -0.427 -7.922 1.00 0.00 C ATOM 960 O VAL A 66 -4.496 0.027 -7.493 1.00 0.00 O ATOM 961 CB VAL A 66 -7.142 -0.922 -6.060 1.00 0.00 C ATOM 962 CG1 VAL A 66 -8.115 -1.950 -5.501 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.254 -0.363 -4.959 1.00 0.00 C ATOM 0 H VAL A 66 -4.580 -2.124 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.938 -2.070 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.721 -0.100 -6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.711 -1.494 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.773 -2.299 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.558 -2.794 -5.095 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.875 0.071 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.647 -1.165 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.602 0.406 -5.373 1.00 0.00 H new ATOM 973 N ASP A 67 -6.132 0.009 -9.037 1.00 0.00 N ATOM 974 CA ASP A 67 -5.538 1.073 -9.839 1.00 0.00 C ATOM 975 C ASP A 67 -5.699 2.425 -9.153 1.00 0.00 C ATOM 976 O ASP A 67 -6.785 2.772 -8.688 1.00 0.00 O ATOM 977 CB ASP A 67 -6.178 1.112 -11.227 1.00 0.00 C ATOM 978 CG ASP A 67 -7.512 1.831 -11.230 1.00 0.00 C ATOM 979 OD1 ASP A 67 -7.517 3.074 -11.356 1.00 0.00 O ATOM 980 OD2 ASP A 67 -8.552 1.152 -11.106 1.00 0.00 O ATOM 0 H ASP A 67 -7.009 -0.358 -9.407 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.473 0.864 -9.944 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.500 1.607 -11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.317 0.093 -11.588 1.00 0.00 H new ATOM 985 N VAL A 68 -4.610 3.186 -9.091 1.00 0.00 N ATOM 986 CA VAL A 68 -4.630 4.501 -8.462 1.00 0.00 C ATOM 987 C VAL A 68 -3.824 5.510 -9.272 1.00 0.00 C ATOM 988 O VAL A 68 -2.672 5.259 -9.626 1.00 0.00 O ATOM 989 CB VAL A 68 -4.070 4.445 -7.028 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.044 5.835 -6.411 1.00 0.00 C ATOM 991 CG2 VAL A 68 -4.889 3.489 -6.174 1.00 0.00 C ATOM 0 H VAL A 68 -3.703 2.914 -9.469 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.672 4.819 -8.425 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.046 4.073 -7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.646 5.776 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.412 6.488 -7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.056 6.238 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.480 3.461 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.924 3.830 -6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.851 2.490 -6.608 1.00 0.00 H new ATOM 1001 N SER A 69 -4.437 6.653 -9.561 1.00 0.00 N ATOM 1002 CA SER A 69 -3.777 7.700 -10.333 1.00 0.00 C ATOM 1003 C SER A 69 -3.724 9.005 -9.543 1.00 0.00 C ATOM 1004 O SER A 69 -3.995 10.079 -10.079 1.00 0.00 O ATOM 1005 CB SER A 69 -4.507 7.923 -11.659 1.00 0.00 C ATOM 1006 OG SER A 69 -4.486 6.751 -12.455 1.00 0.00 O ATOM 0 H SER A 69 -5.389 6.878 -9.273 1.00 0.00 H new ATOM 0 HA SER A 69 -2.756 7.377 -10.538 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.539 8.216 -11.465 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.039 8.744 -12.202 1.00 0.00 H new ATOM 0 HG SER A 69 -4.960 6.918 -13.296 1.00 0.00 H new ATOM 1012 N SER A 70 -3.372 8.902 -8.265 1.00 0.00 N ATOM 1013 CA SER A 70 -3.287 10.072 -7.399 1.00 0.00 C ATOM 1014 C SER A 70 -2.501 9.753 -6.131 1.00 0.00 C ATOM 1015 O SER A 70 -2.265 8.588 -5.809 1.00 0.00 O ATOM 1016 CB SER A 70 -4.688 10.566 -7.034 1.00 0.00 C ATOM 1017 OG SER A 70 -5.493 9.504 -6.551 1.00 0.00 O ATOM 0 H SER A 70 -3.141 8.020 -7.807 1.00 0.00 H new ATOM 0 HA SER A 70 -2.763 10.858 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.616 11.346 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.158 11.014 -7.909 1.00 0.00 H new ATOM 0 HG SER A 70 -5.580 9.576 -5.577 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.097 10.797 -5.414 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.338 10.630 -4.180 1.00 0.00 C ATOM 1025 C HIS A 71 -2.270 10.367 -3.001 1.00 0.00 C ATOM 1026 O HIS A 71 -1.842 10.375 -1.846 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.488 11.871 -3.907 1.00 0.00 C ATOM 1028 CG HIS A 71 0.387 12.262 -5.058 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.052 13.254 -5.955 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.592 11.789 -5.455 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.012 13.374 -6.855 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.958 12.497 -6.574 1.00 0.00 N ATOM 0 H HIS A 71 -2.283 11.768 -5.667 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.681 9.769 -4.300 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.146 12.705 -3.661 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.136 11.689 -3.032 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.159 11.002 -4.981 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.021 14.071 -7.680 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.821 12.366 -7.102 1.00 0.00 H new ATOM 1041 N SER A 72 -3.544 10.137 -3.299 1.00 0.00 N ATOM 1042 CA SER A 72 -4.537 9.877 -2.263 1.00 0.00 C ATOM 1043 C SER A 72 -5.613 8.921 -2.769 1.00 0.00 C ATOM 1044 O SER A 72 -6.156 9.100 -3.860 1.00 0.00 O ATOM 1045 CB SER A 72 -5.179 11.187 -1.802 1.00 0.00 C ATOM 1046 OG SER A 72 -5.953 11.767 -2.837 1.00 0.00 O ATOM 0 H SER A 72 -3.914 10.125 -4.250 1.00 0.00 H new ATOM 0 HA SER A 72 -4.030 9.411 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.810 11.000 -0.933 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.403 11.885 -1.489 1.00 0.00 H new ATOM 0 HG SER A 72 -6.317 11.059 -3.409 1.00 0.00 H new ATOM 1052 N TYR A 73 -5.915 7.904 -1.969 1.00 0.00 N ATOM 1053 CA TYR A 73 -6.924 6.918 -2.336 1.00 0.00 C ATOM 1054 C TYR A 73 -7.748 6.504 -1.121 1.00 0.00 C ATOM 1055 O TYR A 73 -7.296 6.615 0.019 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.262 5.688 -2.959 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.244 4.719 -3.578 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -7.803 3.692 -2.827 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -7.614 4.830 -4.912 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -8.700 2.804 -3.388 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -8.511 3.948 -5.481 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.052 2.936 -4.715 1.00 0.00 C ATOM 1063 OH TYR A 73 -9.945 2.054 -5.278 1.00 0.00 O ATOM 0 H TYR A 73 -5.476 7.741 -1.063 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.591 7.374 -3.068 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.556 6.014 -3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.686 5.169 -2.193 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.531 3.586 -1.787 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.192 5.620 -5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.124 2.010 -2.791 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.788 4.050 -6.520 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.086 2.287 -6.219 1.00 0.00 H new ATOM 1073 N THR A 74 -8.963 6.024 -1.373 1.00 0.00 N ATOM 1074 CA THR A 74 -9.852 5.594 -0.301 1.00 0.00 C ATOM 1075 C THR A 74 -10.445 4.221 -0.597 1.00 0.00 C ATOM 1076 O THR A 74 -11.113 4.029 -1.614 1.00 0.00 O ATOM 1077 CB THR A 74 -10.998 6.600 -0.084 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.465 7.914 0.118 1.00 0.00 O ATOM 1079 CG2 THR A 74 -11.848 6.202 1.113 1.00 0.00 C ATOM 0 H THR A 74 -9.353 5.924 -2.310 1.00 0.00 H new ATOM 0 HA THR A 74 -9.250 5.539 0.606 1.00 0.00 H new ATOM 0 HB THR A 74 -11.628 6.597 -0.974 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.200 8.548 0.253 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.651 6.927 1.246 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.276 5.214 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.227 6.179 2.009 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.198 3.270 0.297 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.710 1.915 0.132 1.00 0.00 C ATOM 1089 C ILE A 75 -11.956 1.691 0.981 1.00 0.00 C ATOM 1090 O ILE A 75 -11.919 1.824 2.203 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.650 0.863 0.508 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.468 0.929 -0.461 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.263 -0.529 0.510 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.228 0.230 0.051 1.00 0.00 C ATOM 0 H ILE A 75 -9.647 3.412 1.143 1.00 0.00 H new ATOM 0 HA ILE A 75 -10.966 1.801 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.285 1.079 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.762 0.482 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.230 1.974 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.501 -1.262 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.075 -0.568 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.652 -0.756 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.431 0.317 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.910 0.692 0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.449 -0.823 0.224 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.060 1.349 0.324 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.318 1.104 1.019 1.00 0.00 C ATOM 1108 C ASN A 76 -14.705 -0.370 0.941 1.00 0.00 C ATOM 1109 O ASN A 76 -14.234 -1.101 0.072 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.431 1.967 0.420 1.00 0.00 C ATOM 1111 CG ASN A 76 -14.959 3.369 0.086 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.178 4.309 0.851 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.308 3.516 -1.062 1.00 0.00 N ATOM 0 H ASN A 76 -13.108 1.235 -0.688 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.183 1.371 2.067 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.811 1.490 -0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.261 2.024 1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.967 4.436 -1.341 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.149 2.709 -1.665 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.568 -0.799 1.858 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.004 -2.183 1.876 1.00 0.00 C ATOM 1122 C GLY A 77 -15.122 -3.057 2.746 1.00 0.00 C ATOM 1123 O GLY A 77 -14.650 -4.107 2.307 1.00 0.00 O ATOM 0 H GLY A 77 -15.972 -0.213 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.031 -2.233 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.006 -2.573 0.858 1.00 0.00 H new ATOM 1127 N LEU A 78 -14.898 -2.624 3.981 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.065 -3.374 4.915 1.00 0.00 C ATOM 1129 C LEU A 78 -14.846 -3.731 6.176 1.00 0.00 C ATOM 1130 O LEU A 78 -15.983 -3.296 6.359 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.821 -2.564 5.284 1.00 0.00 C ATOM 1132 CG LEU A 78 -11.998 -2.026 4.113 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -10.799 -1.240 4.620 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.549 -3.165 3.209 1.00 0.00 C ATOM 0 H LEU A 78 -15.281 -1.758 4.359 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.757 -4.299 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.131 -1.721 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.174 -3.189 5.899 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.627 -1.353 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.225 -0.865 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.143 -0.401 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.168 -1.890 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.965 -2.764 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.937 -3.863 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.423 -3.685 2.817 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.228 -4.525 7.044 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.862 -4.938 8.290 1.00 0.00 C ATOM 1148 C LYS A 79 -14.685 -3.875 9.369 1.00 0.00 C ATOM 1149 O LYS A 79 -13.868 -2.965 9.231 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.276 -6.269 8.768 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.739 -7.465 7.955 1.00 0.00 C ATOM 1152 CD LYS A 79 -14.419 -8.774 8.657 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.258 -8.951 9.914 1.00 0.00 C ATOM 1154 NZ LYS A 79 -15.067 -10.297 10.522 1.00 0.00 N ATOM 0 H LYS A 79 -13.288 -4.896 6.907 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.928 -5.065 8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.188 -6.212 8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.549 -6.422 9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.813 -7.396 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.259 -7.449 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.600 -9.607 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.361 -8.799 8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.991 -8.183 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.311 -8.808 9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.655 -10.379 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.345 -11.029 9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.067 -10.424 10.777 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.456 -3.997 10.445 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.383 -3.049 11.550 1.00 0.00 C ATOM 1170 C LYS A 80 -14.361 -3.501 12.588 1.00 0.00 C ATOM 1171 O LYS A 80 -14.225 -4.694 12.862 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.757 -2.892 12.206 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.672 -1.924 11.477 1.00 0.00 C ATOM 1174 CD LYS A 80 -19.134 -2.302 11.648 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.505 -3.495 10.780 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.856 -4.025 11.115 1.00 0.00 N ATOM 0 H LYS A 80 -16.139 -4.744 10.575 1.00 0.00 H new ATOM 0 HA LYS A 80 -15.066 -2.086 11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.240 -3.868 12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.623 -2.550 13.232 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.510 -0.914 11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.420 -1.912 10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.331 -2.536 12.694 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.764 -1.451 11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.480 -3.202 9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.763 -4.283 10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.072 -4.837 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.873 -4.328 12.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.567 -3.281 10.967 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.645 -2.541 13.163 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.634 -2.841 14.170 1.00 0.00 C ATOM 1192 C TYR A 81 -11.718 -3.968 13.704 1.00 0.00 C ATOM 1193 O TYR A 81 -11.475 -4.930 14.434 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.300 -3.224 15.493 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.411 -3.021 16.699 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.961 -1.754 17.051 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -12.022 -4.096 17.489 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -11.149 -1.564 18.151 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.211 -3.916 18.592 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.777 -2.648 18.919 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.968 -2.463 20.017 1.00 0.00 O ATOM 0 H TYR A 81 -13.746 -1.549 12.949 1.00 0.00 H new ATOM 0 HA TYR A 81 -12.031 -1.946 14.320 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.208 -2.633 15.618 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.604 -4.270 15.448 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.252 -0.903 16.453 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.360 -5.090 17.236 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.807 -0.573 18.409 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.918 -4.763 19.195 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.801 -3.326 20.449 1.00 0.00 H new ATOM 1211 N THR A 82 -11.210 -3.843 12.482 1.00 0.00 N ATOM 1212 CA THR A 82 -10.321 -4.850 11.916 1.00 0.00 C ATOM 1213 C THR A 82 -9.075 -4.208 11.316 1.00 0.00 C ATOM 1214 O THR A 82 -9.134 -3.105 10.774 1.00 0.00 O ATOM 1215 CB THR A 82 -11.031 -5.679 10.830 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.083 -6.455 11.415 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.048 -6.600 10.123 1.00 0.00 C ATOM 0 H THR A 82 -11.399 -3.053 11.865 1.00 0.00 H new ATOM 0 HA THR A 82 -10.029 -5.510 12.733 1.00 0.00 H new ATOM 0 HB THR A 82 -11.452 -4.991 10.097 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.707 -5.861 11.882 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.573 -7.175 9.360 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.265 -6.005 9.654 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.601 -7.281 10.848 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.949 -4.907 11.418 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.688 -4.404 10.884 1.00 0.00 C ATOM 1227 C GLU A 83 -6.585 -4.673 9.386 1.00 0.00 C ATOM 1228 O GLU A 83 -7.182 -5.619 8.872 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.507 -5.049 11.612 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.275 -4.163 11.678 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.227 -4.691 12.639 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.553 -5.602 13.428 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.083 -4.193 12.603 1.00 0.00 O ATOM 0 H GLU A 83 -7.884 -5.822 11.865 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.659 -3.326 11.044 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.813 -5.307 12.626 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.247 -5.981 11.110 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.840 -4.078 10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.570 -3.159 11.984 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.825 -3.833 8.691 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.646 -3.978 7.251 1.00 0.00 C ATOM 1242 C TYR A 84 -4.295 -3.422 6.812 1.00 0.00 C ATOM 1243 O TYR A 84 -3.935 -2.295 7.152 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.772 -3.264 6.502 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.081 -4.019 6.513 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.301 -5.082 5.645 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.099 -3.672 7.393 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.496 -5.774 5.651 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.297 -4.360 7.407 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.491 -5.410 6.534 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.682 -6.098 6.545 1.00 0.00 O ATOM 0 H TYR A 84 -5.324 -3.045 9.101 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.676 -5.041 7.011 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.926 -2.281 6.946 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.464 -3.102 5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.524 -5.372 4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.951 -2.850 8.078 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.651 -6.596 4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.077 -4.077 8.098 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.680 -6.743 7.283 1.00 0.00 H new ATOM 1261 N SER A 85 -3.551 -4.221 6.054 1.00 0.00 N ATOM 1262 CA SER A 85 -2.238 -3.812 5.570 1.00 0.00 C ATOM 1263 C SER A 85 -2.363 -2.995 4.287 1.00 0.00 C ATOM 1264 O SER A 85 -3.335 -3.129 3.544 1.00 0.00 O ATOM 1265 CB SER A 85 -1.357 -5.038 5.323 1.00 0.00 C ATOM 1266 OG SER A 85 0.017 -4.698 5.375 1.00 0.00 O ATOM 0 H SER A 85 -3.835 -5.156 5.762 1.00 0.00 H new ATOM 0 HA SER A 85 -1.774 -3.189 6.334 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.574 -5.802 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.592 -5.468 4.349 1.00 0.00 H new ATOM 0 HG SER A 85 0.558 -5.499 5.216 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.371 -2.147 4.035 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.368 -1.307 2.843 1.00 0.00 C ATOM 1274 C PHE A 86 0.055 -1.073 2.346 1.00 0.00 C ATOM 1275 O PHE A 86 0.971 -0.848 3.136 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.044 0.034 3.138 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.497 -0.093 3.495 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.429 -0.463 2.539 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.932 0.158 4.786 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.767 -0.580 2.864 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.268 0.042 5.118 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.187 -0.328 4.156 1.00 0.00 C ATOM 0 H PHE A 86 -0.559 -2.023 4.640 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.926 -1.824 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.518 0.524 3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.948 0.680 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.106 -0.662 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.218 0.448 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.484 -0.868 2.109 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.593 0.240 6.129 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.232 -0.420 4.413 1.00 0.00 H new ATOM 1292 N ARG A 87 0.232 -1.130 1.030 1.00 0.00 N ATOM 1293 CA ARG A 87 1.543 -0.926 0.426 1.00 0.00 C ATOM 1294 C ARG A 87 1.413 -0.287 -0.953 1.00 0.00 C ATOM 1295 O ARG A 87 0.523 -0.634 -1.729 1.00 0.00 O ATOM 1296 CB ARG A 87 2.289 -2.258 0.314 1.00 0.00 C ATOM 1297 CG ARG A 87 1.664 -3.224 -0.679 1.00 0.00 C ATOM 1298 CD ARG A 87 2.626 -4.343 -1.047 1.00 0.00 C ATOM 1299 NE ARG A 87 2.513 -5.482 -0.139 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.335 -6.525 -0.163 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.324 -6.574 -1.045 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.168 -7.523 0.696 1.00 0.00 N ATOM 0 H ARG A 87 -0.516 -1.316 0.362 1.00 0.00 H new ATOM 0 HA ARG A 87 2.110 -0.252 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.320 -2.064 0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.322 -2.730 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.755 -3.649 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.371 -2.684 -1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.427 -4.671 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.648 -3.964 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 87 1.762 -5.476 0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.455 -5.809 -1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.954 -7.376 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.408 -7.489 1.375 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.800 -8.324 0.677 1.00 0.00 H new ATOM 1316 N VAL A 88 2.307 0.651 -1.252 1.00 0.00 N ATOM 1317 CA VAL A 88 2.293 1.339 -2.537 1.00 0.00 C ATOM 1318 C VAL A 88 3.460 0.894 -3.412 1.00 0.00 C ATOM 1319 O VAL A 88 4.568 0.675 -2.922 1.00 0.00 O ATOM 1320 CB VAL A 88 2.355 2.867 -2.356 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.416 3.563 -3.708 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.162 3.356 -1.549 1.00 0.00 C ATOM 0 H VAL A 88 3.050 0.951 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 88 1.355 1.076 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 88 3.263 3.114 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.459 4.642 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.305 3.235 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.527 3.312 -4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.222 4.438 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.240 3.098 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.168 2.883 -0.567 1.00 0.00 H new ATOM 1332 N VAL A 89 3.204 0.764 -4.709 1.00 0.00 N ATOM 1333 CA VAL A 89 4.234 0.347 -5.653 1.00 0.00 C ATOM 1334 C VAL A 89 4.240 1.239 -6.890 1.00 0.00 C ATOM 1335 O VAL A 89 3.196 1.494 -7.489 1.00 0.00 O ATOM 1336 CB VAL A 89 4.035 -1.117 -6.091 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.069 -1.507 -7.137 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.104 -2.046 -4.888 1.00 0.00 C ATOM 0 H VAL A 89 2.292 0.941 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 89 5.190 0.438 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 89 3.046 -1.213 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.913 -2.544 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.967 -0.860 -8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.069 -1.396 -6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.961 -3.076 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.078 -1.949 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.322 -1.780 -4.177 1.00 0.00 H new ATOM 1348 N ALA A 90 5.424 1.711 -7.267 1.00 0.00 N ATOM 1349 CA ALA A 90 5.567 2.573 -8.433 1.00 0.00 C ATOM 1350 C ALA A 90 5.744 1.750 -9.705 1.00 0.00 C ATOM 1351 O ALA A 90 6.575 0.843 -9.759 1.00 0.00 O ATOM 1352 CB ALA A 90 6.742 3.521 -8.248 1.00 0.00 C ATOM 0 H ALA A 90 6.298 1.510 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 90 4.654 3.160 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.837 4.159 -9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.575 4.140 -7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.658 2.944 -8.118 1.00 0.00 H new ATOM 1358 N TYR A 91 4.959 2.072 -10.727 1.00 0.00 N ATOM 1359 CA TYR A 91 5.027 1.360 -11.997 1.00 0.00 C ATOM 1360 C TYR A 91 5.421 2.304 -13.130 1.00 0.00 C ATOM 1361 O TYR A 91 4.733 3.286 -13.402 1.00 0.00 O ATOM 1362 CB TYR A 91 3.682 0.704 -12.311 1.00 0.00 C ATOM 1363 CG TYR A 91 3.480 -0.624 -11.618 1.00 0.00 C ATOM 1364 CD1 TYR A 91 2.943 -0.688 -10.338 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.825 -1.817 -12.243 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.758 -1.899 -9.700 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.641 -3.033 -11.613 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.108 -3.069 -10.342 1.00 0.00 C ATOM 1369 OH TYR A 91 2.923 -4.277 -9.711 1.00 0.00 O ATOM 0 H TYR A 91 4.268 2.822 -10.700 1.00 0.00 H new ATOM 0 HA TYR A 91 5.790 0.586 -11.910 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.880 1.382 -12.020 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.601 0.558 -13.388 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.665 0.225 -9.833 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.244 -1.793 -13.238 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.342 -1.930 -8.704 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.913 -3.950 -12.114 1.00 0.00 H new ATOM 0 HH TYR A 91 3.219 -5.002 -10.300 1.00 0.00 H new ATOM 1379 N ASN A 92 6.536 1.996 -13.786 1.00 0.00 N ATOM 1380 CA ASN A 92 7.023 2.816 -14.889 1.00 0.00 C ATOM 1381 C ASN A 92 7.274 1.964 -16.130 1.00 0.00 C ATOM 1382 O ASN A 92 7.275 0.735 -16.064 1.00 0.00 O ATOM 1383 CB ASN A 92 8.310 3.539 -14.485 1.00 0.00 C ATOM 1384 CG ASN A 92 8.190 4.222 -13.136 1.00 0.00 C ATOM 1385 OD1 ASN A 92 7.106 4.289 -12.557 1.00 0.00 O ATOM 1386 ND2 ASN A 92 9.307 4.733 -12.631 1.00 0.00 N ATOM 0 H ASN A 92 7.118 1.186 -13.573 1.00 0.00 H new ATOM 0 HA ASN A 92 6.257 3.555 -15.125 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.132 2.823 -14.455 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.561 4.280 -15.244 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.289 5.205 -11.727 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.183 4.653 -13.147 1.00 0.00 H new ATOM 1393 N LYS A 93 7.486 2.626 -17.262 1.00 0.00 N ATOM 1394 CA LYS A 93 7.740 1.932 -18.519 1.00 0.00 C ATOM 1395 C LYS A 93 8.640 0.721 -18.300 1.00 0.00 C ATOM 1396 O LYS A 93 8.385 -0.360 -18.832 1.00 0.00 O ATOM 1397 CB LYS A 93 8.385 2.884 -19.530 1.00 0.00 C ATOM 1398 CG LYS A 93 9.689 3.493 -19.045 1.00 0.00 C ATOM 1399 CD LYS A 93 10.008 4.784 -19.781 1.00 0.00 C ATOM 1400 CE LYS A 93 11.445 5.221 -19.542 1.00 0.00 C ATOM 1401 NZ LYS A 93 11.843 6.337 -20.444 1.00 0.00 N ATOM 0 H LYS A 93 7.487 3.643 -17.335 1.00 0.00 H new ATOM 0 HA LYS A 93 6.785 1.586 -18.913 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.569 2.344 -20.459 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.683 3.685 -19.761 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.624 3.689 -17.975 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.501 2.780 -19.190 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.841 4.646 -20.849 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.328 5.570 -19.451 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.562 5.534 -18.504 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.113 4.373 -19.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.829 6.606 -20.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.756 6.031 -21.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.222 7.155 -20.279 1.00 0.00 H new ATOM 1415 N HIS A 94 9.694 0.908 -17.512 1.00 0.00 N ATOM 1416 CA HIS A 94 10.632 -0.171 -17.220 1.00 0.00 C ATOM 1417 C HIS A 94 9.931 -1.319 -16.499 1.00 0.00 C ATOM 1418 O HIS A 94 9.896 -2.445 -16.992 1.00 0.00 O ATOM 1419 CB HIS A 94 11.791 0.348 -16.370 1.00 0.00 C ATOM 1420 CG HIS A 94 12.230 1.732 -16.737 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.129 1.993 -17.749 1.00 0.00 N ATOM 1422 CD2 HIS A 94 11.886 2.936 -16.222 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.321 3.297 -17.839 1.00 0.00 C ATOM 1424 NE2 HIS A 94 12.578 3.892 -16.924 1.00 0.00 N ATOM 0 H HIS A 94 9.920 1.796 -17.064 1.00 0.00 H new ATOM 0 HA HIS A 94 11.024 -0.544 -18.166 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.495 0.336 -15.321 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.637 -0.331 -16.471 1.00 0.00 H new ATOM 0 HD1 HIS A 94 13.576 1.289 -18.337 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.196 3.112 -15.410 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.975 3.792 -18.542 1.00 0.00 H new ATOM 1433 N GLY A 95 9.376 -1.025 -15.327 1.00 0.00 N ATOM 1434 CA GLY A 95 8.685 -2.043 -14.557 1.00 0.00 C ATOM 1435 C GLY A 95 8.448 -1.621 -13.121 1.00 0.00 C ATOM 1436 O GLY A 95 8.750 -0.496 -12.723 1.00 0.00 O ATOM 0 H GLY A 95 9.393 -0.100 -14.897 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.728 -2.265 -15.030 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.269 -2.963 -14.571 1.00 0.00 H new ATOM 1440 N PRO A 96 7.892 -2.538 -12.315 1.00 0.00 N ATOM 1441 CA PRO A 96 7.601 -2.278 -10.902 1.00 0.00 C ATOM 1442 C PRO A 96 8.867 -2.163 -10.060 1.00 0.00 C ATOM 1443 O PRO A 96 9.740 -3.028 -10.114 1.00 0.00 O ATOM 1444 CB PRO A 96 6.785 -3.502 -10.477 1.00 0.00 C ATOM 1445 CG PRO A 96 7.205 -4.581 -11.414 1.00 0.00 C ATOM 1446 CD PRO A 96 7.506 -3.900 -12.721 1.00 0.00 C ATOM 0 HA PRO A 96 7.080 -1.331 -10.761 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.990 -3.775 -9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.715 -3.309 -10.550 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.082 -5.106 -11.036 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.416 -5.323 -11.533 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.310 -4.402 -13.260 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.637 -3.892 -13.379 1.00 0.00 H new ATOM 1454 N GLY A 97 8.960 -1.089 -9.283 1.00 0.00 N ATOM 1455 CA GLY A 97 10.123 -0.881 -8.441 1.00 0.00 C ATOM 1456 C GLY A 97 9.960 -1.495 -7.064 1.00 0.00 C ATOM 1457 O GLY A 97 9.254 -2.490 -6.900 1.00 0.00 O ATOM 0 H GLY A 97 8.250 -0.359 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.000 -1.311 -8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.307 0.188 -8.339 1.00 0.00 H new ATOM 1461 N VAL A 98 10.616 -0.902 -6.072 1.00 0.00 N ATOM 1462 CA VAL A 98 10.541 -1.396 -4.702 1.00 0.00 C ATOM 1463 C VAL A 98 9.107 -1.364 -4.185 1.00 0.00 C ATOM 1464 O VAL A 98 8.188 -0.962 -4.897 1.00 0.00 O ATOM 1465 CB VAL A 98 11.435 -0.572 -3.758 1.00 0.00 C ATOM 1466 CG1 VAL A 98 12.873 -0.568 -4.252 1.00 0.00 C ATOM 1467 CG2 VAL A 98 10.904 0.848 -3.626 1.00 0.00 C ATOM 0 H VAL A 98 11.206 -0.078 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 98 10.896 -2.426 -4.717 1.00 0.00 H new ATOM 0 HB VAL A 98 11.416 -1.036 -2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.490 0.019 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.248 -1.591 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.914 -0.130 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.548 1.416 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.891 1.324 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.892 0.822 -3.222 1.00 0.00 H new ATOM 1477 N SER A 99 8.924 -1.791 -2.939 1.00 0.00 N ATOM 1478 CA SER A 99 7.601 -1.814 -2.326 1.00 0.00 C ATOM 1479 C SER A 99 7.654 -1.276 -0.899 1.00 0.00 C ATOM 1480 O SER A 99 8.286 -1.866 -0.022 1.00 0.00 O ATOM 1481 CB SER A 99 7.041 -3.238 -2.325 1.00 0.00 C ATOM 1482 OG SER A 99 5.770 -3.285 -1.701 1.00 0.00 O ATOM 0 H SER A 99 9.675 -2.125 -2.335 1.00 0.00 H new ATOM 0 HA SER A 99 6.944 -1.173 -2.914 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.960 -3.601 -3.350 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.730 -3.903 -1.804 1.00 0.00 H new ATOM 0 HG SER A 99 5.806 -3.890 -0.930 1.00 0.00 H new ATOM 1488 N THR A 100 6.986 -0.149 -0.673 1.00 0.00 N ATOM 1489 CA THR A 100 6.957 0.472 0.645 1.00 0.00 C ATOM 1490 C THR A 100 6.642 -0.554 1.728 1.00 0.00 C ATOM 1491 O THR A 100 6.107 -1.630 1.462 1.00 0.00 O ATOM 1492 CB THR A 100 5.916 1.605 0.710 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.833 1.328 -0.185 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.549 2.941 0.350 1.00 0.00 C ATOM 0 H THR A 100 6.457 0.353 -1.387 1.00 0.00 H new ATOM 0 HA THR A 100 7.949 0.890 0.820 1.00 0.00 H new ATOM 0 HB THR A 100 5.537 1.663 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.951 1.843 -1.010 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.795 3.727 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.354 3.163 1.051 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.952 2.892 -0.662 1.00 0.00 H new ATOM 1502 N PRO A 101 6.981 -0.215 2.981 1.00 0.00 N ATOM 1503 CA PRO A 101 6.742 -1.093 4.131 1.00 0.00 C ATOM 1504 C PRO A 101 5.259 -1.224 4.462 1.00 0.00 C ATOM 1505 O PRO A 101 4.534 -0.230 4.509 1.00 0.00 O ATOM 1506 CB PRO A 101 7.485 -0.394 5.271 1.00 0.00 C ATOM 1507 CG PRO A 101 7.527 1.041 4.873 1.00 0.00 C ATOM 1508 CD PRO A 101 7.622 1.051 3.372 1.00 0.00 C ATOM 0 HA PRO A 101 7.082 -2.112 3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.967 -0.526 6.221 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.489 -0.799 5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.634 1.566 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.383 1.546 5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.108 1.911 2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.658 1.098 3.035 1.00 0.00 H new ATOM 1516 N ASP A 102 4.816 -2.455 4.692 1.00 0.00 N ATOM 1517 CA ASP A 102 3.419 -2.715 5.021 1.00 0.00 C ATOM 1518 C ASP A 102 2.904 -1.705 6.041 1.00 0.00 C ATOM 1519 O ASP A 102 3.565 -1.424 7.041 1.00 0.00 O ATOM 1520 CB ASP A 102 3.257 -4.136 5.565 1.00 0.00 C ATOM 1521 CG ASP A 102 3.618 -5.193 4.540 1.00 0.00 C ATOM 1522 OD1 ASP A 102 3.174 -5.069 3.379 1.00 0.00 O ATOM 1523 OD2 ASP A 102 4.343 -6.144 4.898 1.00 0.00 O ATOM 0 H ASP A 102 5.403 -3.288 4.657 1.00 0.00 H new ATOM 0 HA ASP A 102 2.832 -2.614 4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.887 -4.259 6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.226 -4.283 5.887 1.00 0.00 H new ATOM 1528 N VAL A 103 1.719 -1.161 5.781 1.00 0.00 N ATOM 1529 CA VAL A 103 1.115 -0.181 6.676 1.00 0.00 C ATOM 1530 C VAL A 103 -0.198 -0.700 7.253 1.00 0.00 C ATOM 1531 O VAL A 103 -1.275 -0.396 6.743 1.00 0.00 O ATOM 1532 CB VAL A 103 0.852 1.153 5.952 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.048 2.092 6.839 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.164 1.797 5.531 1.00 0.00 C ATOM 0 H VAL A 103 1.159 -1.382 4.958 1.00 0.00 H new ATOM 0 HA VAL A 103 1.824 -0.013 7.486 1.00 0.00 H new ATOM 0 HB VAL A 103 0.268 0.951 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.128 3.029 6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.908 1.630 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.603 2.291 7.756 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.960 2.738 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.775 1.987 6.413 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.698 1.127 4.857 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.098 -1.486 8.320 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.277 -2.046 8.969 1.00 0.00 C ATOM 1546 C ALA A 104 -1.968 -1.006 9.845 1.00 0.00 C ATOM 1547 O ALA A 104 -1.312 -0.248 10.560 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.896 -3.265 9.795 1.00 0.00 C ATOM 0 H ALA A 104 0.787 -1.749 8.753 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.978 -2.352 8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.786 -3.673 10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.455 -4.021 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.174 -2.976 10.558 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.295 -0.975 9.784 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.075 -0.028 10.572 1.00 0.00 C ATOM 1556 C VAL A 105 -5.442 -0.602 10.926 1.00 0.00 C ATOM 1557 O VAL A 105 -6.037 -1.343 10.143 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.268 1.303 9.821 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.199 1.115 8.632 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.800 2.373 10.761 1.00 0.00 C ATOM 0 H VAL A 105 -3.853 -1.595 9.197 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.514 0.158 11.488 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.299 1.632 9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.324 2.066 8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.772 0.382 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.169 0.763 8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.930 3.306 10.213 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.759 2.055 11.169 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.092 2.526 11.576 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.935 -0.255 12.110 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.233 -0.736 12.569 1.00 0.00 C ATOM 1572 C ARG A 106 -8.329 0.279 12.260 1.00 0.00 C ATOM 1573 O ARG A 106 -8.176 1.473 12.518 1.00 0.00 O ATOM 1574 CB ARG A 106 -7.193 -1.019 14.072 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.288 -1.962 14.543 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.417 -1.954 16.058 1.00 0.00 C ATOM 1577 NE ARG A 106 -7.442 -2.835 16.695 1.00 0.00 N ATOM 1578 CZ ARG A 106 -7.523 -4.161 16.670 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -8.529 -4.755 16.044 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -6.597 -4.895 17.273 1.00 0.00 N ATOM 0 H ARG A 106 -5.455 0.358 12.769 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.459 -1.661 12.038 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.223 -1.446 14.327 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.279 -0.077 14.613 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.238 -1.671 14.094 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.070 -2.974 14.201 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.283 -0.937 16.428 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.424 -2.265 16.338 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.656 -2.409 17.186 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.243 -4.194 15.580 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.589 -5.773 16.026 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.822 -4.442 17.757 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -6.660 -5.913 17.253 1.00 0.00 H new ATOM 1594 N THR A 107 -9.436 -0.205 11.705 1.00 0.00 N ATOM 1595 CA THR A 107 -10.558 0.659 11.359 1.00 0.00 C ATOM 1596 C THR A 107 -11.363 1.038 12.596 1.00 0.00 C ATOM 1597 O THR A 107 -11.141 0.500 13.682 1.00 0.00 O ATOM 1598 CB THR A 107 -11.493 -0.016 10.338 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.756 -1.367 10.734 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.879 0.000 8.947 1.00 0.00 C ATOM 0 H THR A 107 -9.579 -1.191 11.486 1.00 0.00 H new ATOM 0 HA THR A 107 -10.137 1.560 10.914 1.00 0.00 H new ATOM 0 HB THR A 107 -12.428 0.543 10.310 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.456 -1.745 10.162 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.558 -0.482 8.244 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.708 1.031 8.637 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.931 -0.537 8.962 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.299 1.965 12.427 1.00 0.00 N ATOM 1609 CA LEU A 108 -13.138 2.415 13.532 1.00 0.00 C ATOM 1610 C LEU A 108 -14.182 1.361 13.887 1.00 0.00 C ATOM 1611 O LEU A 108 -14.581 0.559 13.042 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.828 3.732 13.170 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.945 4.795 12.517 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.785 5.976 12.055 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.861 5.254 13.480 1.00 0.00 C ATOM 0 H LEU A 108 -12.496 2.420 11.536 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.499 2.573 14.401 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.656 3.512 12.496 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.260 4.154 14.078 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.464 4.354 11.644 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.140 6.723 11.593 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.524 5.635 11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.295 6.417 12.912 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.242 6.011 12.998 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.322 5.677 14.372 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.240 4.403 13.761 1.00 0.00 H new ATOM 1627 N SER A 109 -14.623 1.371 15.141 1.00 0.00 N ATOM 1628 CA SER A 109 -15.620 0.415 15.608 1.00 0.00 C ATOM 1629 C SER A 109 -16.981 1.086 15.771 1.00 0.00 C ATOM 1630 O SER A 109 -17.133 2.024 16.554 1.00 0.00 O ATOM 1631 CB SER A 109 -15.181 -0.203 16.936 1.00 0.00 C ATOM 1632 OG SER A 109 -16.238 -0.937 17.531 1.00 0.00 O ATOM 0 H SER A 109 -14.306 2.030 15.852 1.00 0.00 H new ATOM 0 HA SER A 109 -15.710 -0.373 14.861 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.326 -0.859 16.771 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.852 0.583 17.616 1.00 0.00 H new ATOM 0 HG SER A 109 -15.932 -1.323 18.378 1.00 0.00 H new