USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 705 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 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 73 HIS : no HD1:sc= 0 X(o=-0.22,f=-0.24) USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 18 THR OG1 : rot 34:sc= 0.0655 USER MOD Single : A 19 TYR OH : rot 21:sc= 1.22 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 61 THR OG1 : rot -11:sc= 0.549 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.719) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -103:sc=-0.00232 (180deg=-0.929) USER MOD Single : A 80 TYR OH : rot -81:sc= 0.0406 USER MOD Single : A 84 TYR OH : rot 118:sc= -1.54 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 123:sc= 1.15 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00589 USER MOD Single : A 98 TYR OH : rot 129:sc= -0.707 USER MOD Single : A 106 SER OG : rot -0:sc= 0.174 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 32:sc= 0.799 USER MOD ----------------------------------------------------------------- ATOM 244 N THR A 18 -2.693 -20.737 -0.596 1.00 0.00 N ATOM 245 CA THR A 18 -1.291 -20.802 -0.202 1.00 0.00 C ATOM 246 C THR A 18 -0.797 -19.448 0.294 1.00 0.00 C ATOM 247 O THR A 18 0.070 -19.374 1.165 1.00 0.00 O ATOM 248 CB THR A 18 -0.400 -21.264 -1.371 1.00 0.00 C ATOM 249 OG1 THR A 18 -0.818 -22.556 -1.824 1.00 0.00 O ATOM 250 CG2 THR A 18 1.060 -21.316 -0.949 1.00 0.00 C ATOM 0 HA THR A 18 -1.223 -21.530 0.607 1.00 0.00 H new ATOM 0 HB THR A 18 -0.501 -20.545 -2.184 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.790 -22.636 -1.731 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.670 -21.645 -1.790 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.383 -20.324 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.175 -22.016 -0.122 1.00 0.00 H new ATOM 258 N TYR A 19 -1.354 -18.379 -0.264 1.00 0.00 N ATOM 259 CA TYR A 19 -0.968 -17.027 0.121 1.00 0.00 C ATOM 260 C TYR A 19 -1.404 -16.722 1.551 1.00 0.00 C ATOM 261 O TYR A 19 -2.321 -17.352 2.080 1.00 0.00 O ATOM 262 CB TYR A 19 -1.581 -16.006 -0.839 1.00 0.00 C ATOM 263 CG TYR A 19 -3.024 -15.675 -0.531 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.350 -14.730 0.434 1.00 0.00 C ATOM 265 CD2 TYR A 19 -4.061 -16.307 -1.205 1.00 0.00 C ATOM 266 CE1 TYR A 19 -4.667 -14.425 0.719 1.00 0.00 C ATOM 267 CE2 TYR A 19 -5.381 -16.008 -0.928 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.678 -15.066 0.035 1.00 0.00 C ATOM 269 OH TYR A 19 -6.991 -14.765 0.315 1.00 0.00 O ATOM 0 H TYR A 19 -2.075 -18.423 -0.985 1.00 0.00 H new ATOM 0 HA TYR A 19 0.119 -16.958 0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.992 -15.090 -0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.515 -16.391 -1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.560 -14.225 0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.831 -17.045 -1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.903 -13.689 1.473 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.175 -16.509 -1.462 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.040 -13.886 0.746 1.00 0.00 H new ATOM 279 N ASP A 20 -0.741 -15.753 2.171 1.00 0.00 N ATOM 280 CA ASP A 20 -1.059 -15.362 3.540 1.00 0.00 C ATOM 281 C ASP A 20 -0.880 -13.859 3.731 1.00 0.00 C ATOM 282 O ASP A 20 0.210 -13.324 3.530 1.00 0.00 O ATOM 283 CB ASP A 20 -0.177 -16.124 4.529 1.00 0.00 C ATOM 284 CG ASP A 20 -0.800 -17.433 4.972 1.00 0.00 C ATOM 285 OD1 ASP A 20 -1.789 -17.391 5.732 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.298 -18.500 4.558 1.00 0.00 O ATOM 0 H ASP A 20 0.021 -15.223 1.748 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.103 -15.612 3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.791 -16.323 4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.008 -15.499 5.403 1.00 0.00 H new ATOM 291 N ALA A 21 -1.956 -13.185 4.121 1.00 0.00 N ATOM 292 CA ALA A 21 -1.917 -11.744 4.341 1.00 0.00 C ATOM 293 C ALA A 21 -1.088 -11.399 5.573 1.00 0.00 C ATOM 294 O ALA A 21 -0.190 -10.559 5.514 1.00 0.00 O ATOM 295 CB ALA A 21 -3.329 -11.194 4.481 1.00 0.00 C ATOM 0 H ALA A 21 -2.866 -13.613 4.291 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.442 -11.281 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.285 -10.117 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.892 -11.400 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.823 -11.670 5.328 1.00 0.00 H new ATOM 301 N SER A 22 -1.394 -12.053 6.689 1.00 0.00 N ATOM 302 CA SER A 22 -0.680 -11.812 7.937 1.00 0.00 C ATOM 303 C SER A 22 0.829 -11.864 7.718 1.00 0.00 C ATOM 304 O SER A 22 1.593 -11.182 8.402 1.00 0.00 O ATOM 305 CB SER A 22 -1.089 -12.842 8.991 1.00 0.00 C ATOM 306 OG SER A 22 -1.040 -12.286 10.294 1.00 0.00 O ATOM 0 H SER A 22 -2.132 -12.754 6.754 1.00 0.00 H new ATOM 0 HA SER A 22 -0.945 -10.816 8.291 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.097 -13.199 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.427 -13.706 8.936 1.00 0.00 H new ATOM 0 HG SER A 22 -1.307 -12.964 10.949 1.00 0.00 H new ATOM 312 N LYS A 23 1.253 -12.679 6.758 1.00 0.00 N ATOM 313 CA LYS A 23 2.670 -12.822 6.445 1.00 0.00 C ATOM 314 C LYS A 23 3.131 -11.720 5.496 1.00 0.00 C ATOM 315 O LYS A 23 4.008 -11.935 4.658 1.00 0.00 O ATOM 316 CB LYS A 23 2.940 -14.193 5.822 1.00 0.00 C ATOM 317 CG LYS A 23 3.005 -15.321 6.837 1.00 0.00 C ATOM 318 CD LYS A 23 4.308 -15.294 7.618 1.00 0.00 C ATOM 319 CE LYS A 23 4.412 -16.478 8.568 1.00 0.00 C ATOM 320 NZ LYS A 23 3.762 -16.197 9.878 1.00 0.00 N ATOM 0 H LYS A 23 0.635 -13.251 6.183 1.00 0.00 H new ATOM 0 HA LYS A 23 3.233 -12.736 7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.157 -14.413 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.881 -14.154 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.165 -15.240 7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.906 -16.278 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.149 -15.307 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.375 -14.365 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.947 -17.352 8.112 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.462 -16.723 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.854 -17.028 10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.222 -15.379 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.754 -15.988 9.728 1.00 0.00 H new ATOM 334 N VAL A 24 2.537 -10.539 5.633 1.00 0.00 N ATOM 335 CA VAL A 24 2.888 -9.403 4.789 1.00 0.00 C ATOM 336 C VAL A 24 3.468 -8.262 5.618 1.00 0.00 C ATOM 337 O VAL A 24 2.836 -7.779 6.558 1.00 0.00 O ATOM 338 CB VAL A 24 1.667 -8.886 4.006 1.00 0.00 C ATOM 339 CG1 VAL A 24 1.983 -7.555 3.343 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.222 -9.913 2.976 1.00 0.00 C ATOM 0 H VAL A 24 1.810 -10.344 6.321 1.00 0.00 H new ATOM 0 HA VAL A 24 3.640 -9.754 4.082 1.00 0.00 H new ATOM 0 HB VAL A 24 0.847 -8.729 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.109 -7.205 2.794 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.250 -6.823 4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.818 -7.681 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.358 -9.532 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.036 -10.104 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.952 -10.841 3.480 1.00 0.00 H new ATOM 350 N THR A 25 4.675 -7.834 5.263 1.00 0.00 N ATOM 351 CA THR A 25 5.341 -6.750 5.973 1.00 0.00 C ATOM 352 C THR A 25 6.070 -5.824 5.006 1.00 0.00 C ATOM 353 O THR A 25 6.616 -6.271 3.997 1.00 0.00 O ATOM 354 CB THR A 25 6.348 -7.290 7.006 1.00 0.00 C ATOM 355 OG1 THR A 25 7.183 -8.285 6.403 1.00 0.00 O ATOM 356 CG2 THR A 25 5.626 -7.886 8.205 1.00 0.00 C ATOM 0 H THR A 25 5.212 -8.222 4.487 1.00 0.00 H new ATOM 0 HA THR A 25 4.564 -6.189 6.492 1.00 0.00 H new ATOM 0 HB THR A 25 6.964 -6.459 7.349 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.821 -8.622 7.066 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.358 -8.261 8.921 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.014 -7.119 8.679 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.988 -8.706 7.875 1.00 0.00 H new ATOM 364 N ALA A 26 6.075 -4.533 5.320 1.00 0.00 N ATOM 365 CA ALA A 26 6.740 -3.545 4.479 1.00 0.00 C ATOM 366 C ALA A 26 7.730 -2.713 5.288 1.00 0.00 C ATOM 367 O ALA A 26 7.577 -2.552 6.498 1.00 0.00 O ATOM 368 CB ALA A 26 5.712 -2.644 3.811 1.00 0.00 C ATOM 0 H ALA A 26 5.626 -4.147 6.150 1.00 0.00 H new ATOM 0 HA ALA A 26 7.297 -4.076 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.222 -1.911 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.046 -3.247 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.130 -2.128 4.574 1.00 0.00 H new ATOM 374 N SER A 27 8.745 -2.187 4.610 1.00 0.00 N ATOM 375 CA SER A 27 9.763 -1.375 5.267 1.00 0.00 C ATOM 376 C SER A 27 10.247 -0.261 4.345 1.00 0.00 C ATOM 377 O SER A 27 10.257 -0.410 3.124 1.00 0.00 O ATOM 378 CB SER A 27 10.945 -2.248 5.694 1.00 0.00 C ATOM 379 OG SER A 27 10.513 -3.332 6.499 1.00 0.00 O ATOM 0 H SER A 27 8.884 -2.308 3.607 1.00 0.00 H new ATOM 0 HA SER A 27 9.316 -0.923 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.458 -2.628 4.811 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.666 -1.645 6.246 1.00 0.00 H new ATOM 0 HG SER A 27 11.286 -3.876 6.758 1.00 0.00 H new ATOM 385 N GLY A 28 10.649 0.859 4.940 1.00 0.00 N ATOM 386 CA GLY A 28 11.129 1.983 4.158 1.00 0.00 C ATOM 387 C GLY A 28 10.725 3.318 4.753 1.00 0.00 C ATOM 388 O GLY A 28 10.162 3.389 5.845 1.00 0.00 O ATOM 0 H GLY A 28 10.651 1.007 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.216 1.934 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.739 1.908 3.143 1.00 0.00 H new ATOM 392 N PRO A 29 11.018 4.407 4.027 1.00 0.00 N ATOM 393 CA PRO A 29 10.692 5.765 4.471 1.00 0.00 C ATOM 394 C PRO A 29 9.191 6.036 4.454 1.00 0.00 C ATOM 395 O PRO A 29 8.665 6.724 5.328 1.00 0.00 O ATOM 396 CB PRO A 29 11.408 6.653 3.451 1.00 0.00 C ATOM 397 CG PRO A 29 11.524 5.809 2.229 1.00 0.00 C ATOM 398 CD PRO A 29 11.689 4.396 2.717 1.00 0.00 C ATOM 0 HA PRO A 29 11.001 5.942 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.842 7.563 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.389 6.961 3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.637 5.905 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.377 6.115 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.229 3.680 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.740 4.122 2.806 1.00 0.00 H new ATOM 406 N GLY A 30 8.508 5.491 3.452 1.00 0.00 N ATOM 407 CA GLY A 30 7.074 5.686 3.340 1.00 0.00 C ATOM 408 C GLY A 30 6.332 5.260 4.591 1.00 0.00 C ATOM 409 O GLY A 30 5.248 5.769 4.883 1.00 0.00 O ATOM 0 H GLY A 30 8.922 4.918 2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.868 6.737 3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.699 5.119 2.488 1.00 0.00 H new ATOM 413 N LEU A 31 6.913 4.322 5.332 1.00 0.00 N ATOM 414 CA LEU A 31 6.299 3.826 6.558 1.00 0.00 C ATOM 415 C LEU A 31 7.186 4.111 7.766 1.00 0.00 C ATOM 416 O LEU A 31 7.112 3.418 8.781 1.00 0.00 O ATOM 417 CB LEU A 31 6.035 2.323 6.448 1.00 0.00 C ATOM 418 CG LEU A 31 5.311 1.860 5.184 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.603 0.393 4.909 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.813 2.093 5.311 1.00 0.00 C ATOM 0 H LEU A 31 7.809 3.890 5.105 1.00 0.00 H new ATOM 0 HA LEU A 31 5.351 4.346 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.990 1.801 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.448 2.013 7.313 1.00 0.00 H new ATOM 0 HG LEU A 31 5.679 2.447 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.079 0.081 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.676 0.255 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.264 -0.210 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.314 1.757 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.429 1.533 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.621 3.156 5.459 1.00 0.00 H new ATOM 432 N SER A 32 8.023 5.137 7.649 1.00 0.00 N ATOM 433 CA SER A 32 8.926 5.513 8.731 1.00 0.00 C ATOM 434 C SER A 32 8.151 6.101 9.906 1.00 0.00 C ATOM 435 O SER A 32 7.464 7.113 9.766 1.00 0.00 O ATOM 436 CB SER A 32 9.962 6.523 8.231 1.00 0.00 C ATOM 437 OG SER A 32 10.850 6.899 9.269 1.00 0.00 O ATOM 0 H SER A 32 8.095 5.722 6.817 1.00 0.00 H new ATOM 0 HA SER A 32 9.440 4.614 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.526 6.091 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.455 7.407 7.844 1.00 0.00 H new ATOM 0 HG SER A 32 11.503 7.543 8.924 1.00 0.00 H new ATOM 443 N SER A 33 8.268 5.460 11.064 1.00 0.00 N ATOM 444 CA SER A 33 7.576 5.916 12.264 1.00 0.00 C ATOM 445 C SER A 33 8.033 7.318 12.654 1.00 0.00 C ATOM 446 O SER A 33 7.262 8.103 13.206 1.00 0.00 O ATOM 447 CB SER A 33 7.823 4.946 13.421 1.00 0.00 C ATOM 448 OG SER A 33 7.320 5.466 14.639 1.00 0.00 O ATOM 0 H SER A 33 8.836 4.623 11.197 1.00 0.00 H new ATOM 0 HA SER A 33 6.508 5.947 12.048 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.346 3.990 13.206 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.892 4.755 13.517 1.00 0.00 H new ATOM 0 HG SER A 33 7.489 4.827 15.362 1.00 0.00 H new ATOM 454 N TYR A 34 9.292 7.625 12.364 1.00 0.00 N ATOM 455 CA TYR A 34 9.854 8.932 12.687 1.00 0.00 C ATOM 456 C TYR A 34 9.147 10.036 11.908 1.00 0.00 C ATOM 457 O TYR A 34 9.160 11.200 12.307 1.00 0.00 O ATOM 458 CB TYR A 34 11.352 8.956 12.380 1.00 0.00 C ATOM 459 CG TYR A 34 12.164 8.025 13.252 1.00 0.00 C ATOM 460 CD1 TYR A 34 12.301 8.261 14.615 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.795 6.910 12.714 1.00 0.00 C ATOM 462 CE1 TYR A 34 13.042 7.413 15.416 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.536 6.056 13.508 1.00 0.00 C ATOM 464 CZ TYR A 34 13.657 6.312 14.858 1.00 0.00 C ATOM 465 OH TYR A 34 14.396 5.465 15.651 1.00 0.00 O ATOM 0 H TYR A 34 9.943 6.987 11.906 1.00 0.00 H new ATOM 0 HA TYR A 34 9.705 9.110 13.752 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.504 8.687 11.335 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.724 9.973 12.504 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.820 9.122 15.056 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.705 6.707 11.657 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.139 7.611 16.473 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.018 5.192 13.074 1.00 0.00 H new ATOM 0 HH TYR A 34 14.761 4.739 15.103 1.00 0.00 H new ATOM 475 N GLY A 35 8.527 9.662 10.792 1.00 0.00 N ATOM 476 CA GLY A 35 7.822 10.631 9.974 1.00 0.00 C ATOM 477 C GLY A 35 8.283 10.616 8.530 1.00 0.00 C ATOM 478 O GLY A 35 9.383 10.154 8.227 1.00 0.00 O ATOM 0 H GLY A 35 8.501 8.705 10.440 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.752 10.425 10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.970 11.628 10.389 1.00 0.00 H new ATOM 482 N VAL A 36 7.439 11.121 7.636 1.00 0.00 N ATOM 483 CA VAL A 36 7.766 11.163 6.216 1.00 0.00 C ATOM 484 C VAL A 36 7.816 12.599 5.706 1.00 0.00 C ATOM 485 O VAL A 36 7.123 13.486 6.204 1.00 0.00 O ATOM 486 CB VAL A 36 6.743 10.369 5.381 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.771 8.897 5.761 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.347 10.948 5.558 1.00 0.00 C ATOM 0 H VAL A 36 6.524 11.507 7.870 1.00 0.00 H new ATOM 0 HA VAL A 36 8.749 10.706 6.104 1.00 0.00 H new ATOM 0 HB VAL A 36 7.015 10.453 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.042 8.352 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.767 8.493 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.525 8.789 6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.637 10.375 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.062 10.897 6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.340 11.988 5.231 1.00 0.00 H new ATOM 498 N PRO A 37 8.657 12.836 4.688 1.00 0.00 N ATOM 499 CA PRO A 37 8.818 14.163 4.087 1.00 0.00 C ATOM 500 C PRO A 37 7.586 14.596 3.299 1.00 0.00 C ATOM 501 O PRO A 37 7.237 13.986 2.289 1.00 0.00 O ATOM 502 CB PRO A 37 10.016 13.986 3.151 1.00 0.00 C ATOM 503 CG PRO A 37 10.026 12.533 2.820 1.00 0.00 C ATOM 504 CD PRO A 37 9.514 11.826 4.045 1.00 0.00 C ATOM 0 HA PRO A 37 8.960 14.937 4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.911 14.596 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.945 14.288 3.635 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.394 12.325 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.032 12.197 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.952 10.929 3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.328 11.515 4.699 1.00 0.00 H new ATOM 512 N ALA A 38 6.931 15.654 3.768 1.00 0.00 N ATOM 513 CA ALA A 38 5.740 16.170 3.106 1.00 0.00 C ATOM 514 C ALA A 38 6.051 16.606 1.678 1.00 0.00 C ATOM 515 O ALA A 38 7.212 16.793 1.315 1.00 0.00 O ATOM 516 CB ALA A 38 5.156 17.329 3.899 1.00 0.00 C ATOM 0 H ALA A 38 7.206 16.170 4.604 1.00 0.00 H new ATOM 0 HA ALA A 38 5.003 15.368 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.267 17.705 3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.887 16.987 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.895 18.127 3.975 1.00 0.00 H new ATOM 522 N SER A 39 5.006 16.765 0.872 1.00 0.00 N ATOM 523 CA SER A 39 5.168 17.175 -0.518 1.00 0.00 C ATOM 524 C SER A 39 6.377 16.490 -1.149 1.00 0.00 C ATOM 525 O SER A 39 7.126 17.104 -1.910 1.00 0.00 O ATOM 526 CB SER A 39 5.324 18.694 -0.609 1.00 0.00 C ATOM 527 OG SER A 39 4.927 19.172 -1.883 1.00 0.00 O ATOM 0 H SER A 39 4.038 16.616 1.158 1.00 0.00 H new ATOM 0 HA SER A 39 4.275 16.875 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.724 19.171 0.165 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.362 18.968 -0.422 1.00 0.00 H new ATOM 0 HG SER A 39 5.035 20.146 -1.915 1.00 0.00 H new ATOM 533 N LEU A 40 6.560 15.214 -0.827 1.00 0.00 N ATOM 534 CA LEU A 40 7.677 14.443 -1.362 1.00 0.00 C ATOM 535 C LEU A 40 7.236 13.031 -1.733 1.00 0.00 C ATOM 536 O LEU A 40 6.663 12.301 -0.924 1.00 0.00 O ATOM 537 CB LEU A 40 8.815 14.383 -0.341 1.00 0.00 C ATOM 538 CG LEU A 40 10.232 14.359 -0.916 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.452 13.100 -1.741 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.487 15.601 -1.757 1.00 0.00 C ATOM 0 H LEU A 40 5.950 14.692 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 40 8.032 14.941 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.728 15.244 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.679 13.493 0.273 1.00 0.00 H new ATOM 0 HG LEU A 40 10.940 14.354 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.466 13.100 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.312 12.222 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.737 13.074 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.500 15.567 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.772 15.637 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.372 16.490 -1.137 1.00 0.00 H new ATOM 552 N PRO A 41 7.511 12.635 -2.984 1.00 0.00 N ATOM 553 CA PRO A 41 7.154 11.306 -3.490 1.00 0.00 C ATOM 554 C PRO A 41 7.987 10.199 -2.852 1.00 0.00 C ATOM 555 O PRO A 41 9.114 9.936 -3.272 1.00 0.00 O ATOM 556 CB PRO A 41 7.454 11.405 -4.988 1.00 0.00 C ATOM 557 CG PRO A 41 8.492 12.468 -5.098 1.00 0.00 C ATOM 558 CD PRO A 41 8.193 13.453 -4.001 1.00 0.00 C ATOM 0 HA PRO A 41 6.119 11.048 -3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.816 10.456 -5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.560 11.665 -5.554 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.492 12.050 -4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.456 12.949 -6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.104 13.905 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.559 14.267 -4.353 1.00 0.00 H new ATOM 566 N VAL A 42 7.425 9.554 -1.835 1.00 0.00 N ATOM 567 CA VAL A 42 8.116 8.474 -1.140 1.00 0.00 C ATOM 568 C VAL A 42 7.478 7.124 -1.450 1.00 0.00 C ATOM 569 O VAL A 42 6.260 7.021 -1.595 1.00 0.00 O ATOM 570 CB VAL A 42 8.110 8.694 0.385 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.686 8.703 0.918 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.942 7.627 1.080 1.00 0.00 C ATOM 0 H VAL A 42 6.494 9.760 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 42 9.146 8.476 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 42 8.557 9.665 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.702 8.860 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.125 9.508 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.209 7.748 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.927 7.798 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.527 6.643 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.970 7.675 0.720 1.00 0.00 H new ATOM 582 N ASP A 43 8.309 6.093 -1.549 1.00 0.00 N ATOM 583 CA ASP A 43 7.827 4.748 -1.840 1.00 0.00 C ATOM 584 C ASP A 43 8.480 3.724 -0.917 1.00 0.00 C ATOM 585 O ASP A 43 9.684 3.778 -0.667 1.00 0.00 O ATOM 586 CB ASP A 43 8.106 4.388 -3.300 1.00 0.00 C ATOM 587 CG ASP A 43 9.564 4.572 -3.673 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.433 4.050 -2.944 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.836 5.238 -4.694 1.00 0.00 O ATOM 0 H ASP A 43 9.320 6.163 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 43 6.751 4.730 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.816 3.352 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.487 5.008 -3.949 1.00 0.00 H new ATOM 594 N PHE A 44 7.678 2.793 -0.412 1.00 0.00 N ATOM 595 CA PHE A 44 8.177 1.758 0.486 1.00 0.00 C ATOM 596 C PHE A 44 8.366 0.439 -0.257 1.00 0.00 C ATOM 597 O PHE A 44 8.119 0.350 -1.459 1.00 0.00 O ATOM 598 CB PHE A 44 7.215 1.563 1.659 1.00 0.00 C ATOM 599 CG PHE A 44 5.770 1.530 1.251 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.038 2.702 1.150 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.144 0.327 0.968 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.708 2.676 0.774 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.814 0.294 0.591 1.00 0.00 C ATOM 604 CZ PHE A 44 3.096 1.470 0.495 1.00 0.00 C ATOM 0 H PHE A 44 6.679 2.734 -0.609 1.00 0.00 H new ATOM 0 HA PHE A 44 9.145 2.081 0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.461 0.632 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.363 2.369 2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.512 3.648 1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.701 -0.595 1.043 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.149 3.597 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.337 -0.650 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.057 1.446 0.202 1.00 0.00 H new ATOM 614 N ALA A 45 8.805 -0.584 0.469 1.00 0.00 N ATOM 615 CA ALA A 45 9.025 -1.900 -0.120 1.00 0.00 C ATOM 616 C ALA A 45 8.246 -2.974 0.631 1.00 0.00 C ATOM 617 O ALA A 45 8.259 -3.018 1.861 1.00 0.00 O ATOM 618 CB ALA A 45 10.510 -2.231 -0.129 1.00 0.00 C ATOM 0 H ALA A 45 9.015 -0.527 1.465 1.00 0.00 H new ATOM 0 HA ALA A 45 8.662 -1.877 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.661 -3.216 -0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.046 -1.484 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.889 -2.230 0.893 1.00 0.00 H new ATOM 624 N ILE A 46 7.569 -3.838 -0.118 1.00 0.00 N ATOM 625 CA ILE A 46 6.784 -4.913 0.478 1.00 0.00 C ATOM 626 C ILE A 46 7.451 -6.266 0.259 1.00 0.00 C ATOM 627 O ILE A 46 7.400 -6.825 -0.837 1.00 0.00 O ATOM 628 CB ILE A 46 5.358 -4.956 -0.101 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.691 -3.585 0.024 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.531 -6.020 0.606 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.600 -3.348 -0.997 1.00 0.00 C ATOM 0 H ILE A 46 7.548 -3.815 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 46 6.727 -4.708 1.547 1.00 0.00 H new ATOM 0 HB ILE A 46 5.419 -5.214 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.269 -3.485 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.450 -2.810 -0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.525 -6.038 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.999 -6.995 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.475 -5.790 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.172 -2.357 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.020 -3.415 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.821 -4.101 -0.878 1.00 0.00 H new ATOM 643 N ASP A 47 8.075 -6.789 1.309 1.00 0.00 N ATOM 644 CA ASP A 47 8.749 -8.080 1.234 1.00 0.00 C ATOM 645 C ASP A 47 7.905 -9.173 1.881 1.00 0.00 C ATOM 646 O ASP A 47 7.599 -9.111 3.071 1.00 0.00 O ATOM 647 CB ASP A 47 10.117 -8.004 1.913 1.00 0.00 C ATOM 648 CG ASP A 47 10.817 -9.349 1.957 1.00 0.00 C ATOM 649 OD1 ASP A 47 11.489 -9.700 0.966 1.00 0.00 O ATOM 650 OD2 ASP A 47 10.691 -10.050 2.983 1.00 0.00 O ATOM 0 H ASP A 47 8.128 -6.338 2.223 1.00 0.00 H new ATOM 0 HA ASP A 47 8.887 -8.330 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.744 -7.288 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.995 -7.628 2.929 1.00 0.00 H new ATOM 655 N ALA A 48 7.532 -10.173 1.088 1.00 0.00 N ATOM 656 CA ALA A 48 6.725 -11.280 1.584 1.00 0.00 C ATOM 657 C ALA A 48 7.550 -12.558 1.688 1.00 0.00 C ATOM 658 O ALA A 48 8.169 -12.989 0.715 1.00 0.00 O ATOM 659 CB ALA A 48 5.520 -11.500 0.682 1.00 0.00 C ATOM 0 H ALA A 48 7.776 -10.238 0.100 1.00 0.00 H new ATOM 0 HA ALA A 48 6.375 -11.022 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.926 -12.330 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.911 -10.596 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.859 -11.731 -0.328 1.00 0.00 H new ATOM 665 N ARG A 49 7.555 -13.159 2.874 1.00 0.00 N ATOM 666 CA ARG A 49 8.307 -14.387 3.105 1.00 0.00 C ATOM 667 C ARG A 49 7.419 -15.612 2.910 1.00 0.00 C ATOM 668 O ARG A 49 7.727 -16.494 2.108 1.00 0.00 O ATOM 669 CB ARG A 49 8.897 -14.390 4.516 1.00 0.00 C ATOM 670 CG ARG A 49 9.953 -13.320 4.737 1.00 0.00 C ATOM 671 CD ARG A 49 10.597 -13.447 6.109 1.00 0.00 C ATOM 672 NE ARG A 49 9.768 -12.858 7.158 1.00 0.00 N ATOM 673 CZ ARG A 49 9.786 -11.567 7.471 1.00 0.00 C ATOM 674 NH1 ARG A 49 10.584 -10.734 6.818 1.00 0.00 N ATOM 675 NH2 ARG A 49 9.003 -11.107 8.438 1.00 0.00 N ATOM 0 H ARG A 49 7.047 -12.816 3.689 1.00 0.00 H new ATOM 0 HA ARG A 49 9.119 -14.429 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.092 -14.249 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.336 -15.368 4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.719 -13.399 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.500 -12.334 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.771 -14.500 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.571 -12.958 6.099 1.00 0.00 H new ATOM 0 HE ARG A 49 9.141 -13.472 7.679 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.186 -11.084 6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.596 -9.743 7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.387 -11.745 8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.017 -10.116 8.678 1.00 0.00 H new ATOM 689 N ASP A 50 6.316 -15.661 3.650 1.00 0.00 N ATOM 690 CA ASP A 50 5.383 -16.778 3.559 1.00 0.00 C ATOM 691 C ASP A 50 3.988 -16.291 3.177 1.00 0.00 C ATOM 692 O ASP A 50 2.989 -16.943 3.478 1.00 0.00 O ATOM 693 CB ASP A 50 5.327 -17.533 4.887 1.00 0.00 C ATOM 694 CG ASP A 50 5.019 -19.006 4.704 1.00 0.00 C ATOM 695 OD1 ASP A 50 3.927 -19.324 4.186 1.00 0.00 O ATOM 696 OD2 ASP A 50 5.869 -19.841 5.076 1.00 0.00 O ATOM 0 H ASP A 50 6.047 -14.940 4.319 1.00 0.00 H new ATOM 0 HA ASP A 50 5.738 -17.454 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.281 -17.426 5.403 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.567 -17.083 5.526 1.00 0.00 H new ATOM 701 N ALA A 51 3.930 -15.141 2.514 1.00 0.00 N ATOM 702 CA ALA A 51 2.658 -14.567 2.090 1.00 0.00 C ATOM 703 C ALA A 51 2.267 -15.064 0.703 1.00 0.00 C ATOM 704 O ALA A 51 1.121 -14.915 0.280 1.00 0.00 O ATOM 705 CB ALA A 51 2.733 -13.047 2.107 1.00 0.00 C ATOM 0 H ALA A 51 4.748 -14.588 2.259 1.00 0.00 H new ATOM 0 HA ALA A 51 1.890 -14.890 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.777 -12.632 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.958 -12.705 3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.518 -12.714 1.428 1.00 0.00 H new ATOM 711 N GLY A 52 3.227 -15.654 -0.002 1.00 0.00 N ATOM 712 CA GLY A 52 2.963 -16.163 -1.335 1.00 0.00 C ATOM 713 C GLY A 52 2.512 -15.077 -2.292 1.00 0.00 C ATOM 714 O GLY A 52 3.047 -13.968 -2.277 1.00 0.00 O ATOM 0 H GLY A 52 4.183 -15.789 0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.864 -16.635 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.196 -16.936 -1.280 1.00 0.00 H new ATOM 718 N GLU A 53 1.528 -15.396 -3.126 1.00 0.00 N ATOM 719 CA GLU A 53 1.009 -14.438 -4.095 1.00 0.00 C ATOM 720 C GLU A 53 -0.481 -14.193 -3.873 1.00 0.00 C ATOM 721 O GLU A 53 -1.258 -15.132 -3.709 1.00 0.00 O ATOM 722 CB GLU A 53 1.247 -14.941 -5.521 1.00 0.00 C ATOM 723 CG GLU A 53 0.513 -14.136 -6.581 1.00 0.00 C ATOM 724 CD GLU A 53 1.153 -12.785 -6.834 1.00 0.00 C ATOM 725 OE1 GLU A 53 2.128 -12.728 -7.613 1.00 0.00 O ATOM 726 OE2 GLU A 53 0.680 -11.786 -6.255 1.00 0.00 O ATOM 0 H GLU A 53 1.074 -16.309 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 53 1.540 -13.496 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.316 -14.915 -5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.934 -15.983 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.490 -14.703 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.522 -13.991 -6.270 1.00 0.00 H new ATOM 733 N GLY A 54 -0.872 -12.922 -3.869 1.00 0.00 N ATOM 734 CA GLY A 54 -2.266 -12.575 -3.665 1.00 0.00 C ATOM 735 C GLY A 54 -2.584 -11.163 -4.117 1.00 0.00 C ATOM 736 O GLY A 54 -1.682 -10.387 -4.436 1.00 0.00 O ATOM 0 H GLY A 54 -0.248 -12.127 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.896 -13.278 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.512 -12.679 -2.608 1.00 0.00 H new ATOM 740 N LEU A 55 -3.869 -10.829 -4.147 1.00 0.00 N ATOM 741 CA LEU A 55 -4.305 -9.501 -4.565 1.00 0.00 C ATOM 742 C LEU A 55 -3.822 -8.436 -3.586 1.00 0.00 C ATOM 743 O LEU A 55 -4.314 -8.343 -2.460 1.00 0.00 O ATOM 744 CB LEU A 55 -5.830 -9.454 -4.676 1.00 0.00 C ATOM 745 CG LEU A 55 -6.406 -8.334 -5.543 1.00 0.00 C ATOM 746 CD1 LEU A 55 -6.512 -8.782 -6.992 1.00 0.00 C ATOM 747 CD2 LEU A 55 -7.766 -7.899 -5.017 1.00 0.00 C ATOM 0 H LEU A 55 -4.628 -11.459 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.869 -9.294 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.175 -10.408 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.245 -9.359 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.730 -7.480 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.924 -7.972 -7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.522 -9.044 -7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.166 -9.651 -7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.161 -7.101 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.451 -8.747 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.662 -7.537 -3.994 1.00 0.00 H new ATOM 759 N LEU A 56 -2.858 -7.632 -4.022 1.00 0.00 N ATOM 760 CA LEU A 56 -2.310 -6.571 -3.185 1.00 0.00 C ATOM 761 C LEU A 56 -2.994 -5.239 -3.475 1.00 0.00 C ATOM 762 O LEU A 56 -3.129 -4.839 -4.631 1.00 0.00 O ATOM 763 CB LEU A 56 -0.802 -6.443 -3.412 1.00 0.00 C ATOM 764 CG LEU A 56 -0.113 -5.278 -2.701 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.196 -5.642 -1.257 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.159 -4.881 -3.436 1.00 0.00 C ATOM 0 H LEU A 56 -2.440 -7.695 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.494 -6.833 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.327 -7.370 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.623 -6.346 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.791 -4.425 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.686 -4.801 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.731 -5.876 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.855 -6.510 -1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.636 -4.050 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.842 -5.730 -3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.912 -4.578 -4.453 1.00 0.00 H new ATOM 778 N ALA A 57 -3.423 -4.557 -2.419 1.00 0.00 N ATOM 779 CA ALA A 57 -4.089 -3.269 -2.560 1.00 0.00 C ATOM 780 C ALA A 57 -3.766 -2.351 -1.386 1.00 0.00 C ATOM 781 O ALA A 57 -3.813 -2.768 -0.228 1.00 0.00 O ATOM 782 CB ALA A 57 -5.593 -3.463 -2.682 1.00 0.00 C ATOM 0 H ALA A 57 -3.321 -4.876 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.719 -2.795 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.078 -2.492 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.811 -4.074 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.969 -3.962 -1.789 1.00 0.00 H new ATOM 788 N VAL A 58 -3.437 -1.100 -1.691 1.00 0.00 N ATOM 789 CA VAL A 58 -3.106 -0.123 -0.661 1.00 0.00 C ATOM 790 C VAL A 58 -4.190 0.942 -0.545 1.00 0.00 C ATOM 791 O VAL A 58 -4.673 1.461 -1.550 1.00 0.00 O ATOM 792 CB VAL A 58 -1.757 0.562 -0.950 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.715 1.076 -2.381 1.00 0.00 C ATOM 794 CG2 VAL A 58 -1.512 1.693 0.039 1.00 0.00 C ATOM 0 H VAL A 58 -3.393 -0.739 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.034 -0.668 0.280 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.962 -0.174 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.755 1.557 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.843 0.242 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.517 1.798 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.555 2.166 -0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.310 2.431 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.496 1.293 1.053 1.00 0.00 H new ATOM 804 N GLN A 59 -4.567 1.263 0.689 1.00 0.00 N ATOM 805 CA GLN A 59 -5.595 2.267 0.936 1.00 0.00 C ATOM 806 C GLN A 59 -5.046 3.411 1.781 1.00 0.00 C ATOM 807 O GLN A 59 -4.872 3.273 2.993 1.00 0.00 O ATOM 808 CB GLN A 59 -6.799 1.633 1.635 1.00 0.00 C ATOM 809 CG GLN A 59 -7.961 2.592 1.836 1.00 0.00 C ATOM 810 CD GLN A 59 -8.892 2.158 2.951 1.00 0.00 C ATOM 811 OE1 GLN A 59 -8.463 1.947 4.086 1.00 0.00 O ATOM 812 NE2 GLN A 59 -10.174 2.020 2.633 1.00 0.00 N ATOM 0 H GLN A 59 -4.176 0.843 1.532 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.913 2.670 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.140 0.779 1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.484 1.248 2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.572 3.586 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.526 2.672 0.907 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.486 2.205 1.680 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.847 1.729 3.342 1.00 0.00 H new ATOM 821 N ILE A 60 -4.775 4.540 1.135 1.00 0.00 N ATOM 822 CA ILE A 60 -4.247 5.709 1.828 1.00 0.00 C ATOM 823 C ILE A 60 -5.361 6.685 2.189 1.00 0.00 C ATOM 824 O ILE A 60 -6.220 6.998 1.363 1.00 0.00 O ATOM 825 CB ILE A 60 -3.194 6.441 0.975 1.00 0.00 C ATOM 826 CG1 ILE A 60 -1.966 5.553 0.768 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.800 7.755 1.632 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.004 6.084 -0.272 1.00 0.00 C ATOM 0 H ILE A 60 -4.912 4.670 0.133 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.775 5.347 2.742 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.628 6.661 -0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.440 5.447 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.294 4.556 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.055 8.260 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.680 8.390 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.382 7.557 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.158 5.404 -0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.514 6.164 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.647 7.068 0.032 1.00 0.00 H new ATOM 840 N THR A 61 -5.342 7.165 3.428 1.00 0.00 N ATOM 841 CA THR A 61 -6.350 8.107 3.899 1.00 0.00 C ATOM 842 C THR A 61 -5.715 9.235 4.704 1.00 0.00 C ATOM 843 O THR A 61 -4.547 9.157 5.085 1.00 0.00 O ATOM 844 CB THR A 61 -7.411 7.405 4.768 1.00 0.00 C ATOM 845 OG1 THR A 61 -6.778 6.508 5.686 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.399 6.639 3.901 1.00 0.00 C ATOM 0 H THR A 61 -4.639 6.917 4.124 1.00 0.00 H new ATOM 0 HA THR A 61 -6.832 8.523 3.015 1.00 0.00 H new ATOM 0 HB THR A 61 -7.955 8.168 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.835 6.403 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.139 6.152 4.536 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.901 7.330 3.224 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.866 5.886 3.321 1.00 0.00 H new ATOM 854 N ASP A 62 -6.491 10.282 4.960 1.00 0.00 N ATOM 855 CA ASP A 62 -6.005 11.426 5.722 1.00 0.00 C ATOM 856 C ASP A 62 -6.630 11.457 7.114 1.00 0.00 C ATOM 857 O ASP A 62 -7.366 10.548 7.494 1.00 0.00 O ATOM 858 CB ASP A 62 -6.314 12.728 4.982 1.00 0.00 C ATOM 859 CG ASP A 62 -7.656 13.314 5.377 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.678 12.613 5.225 1.00 0.00 O ATOM 861 OD2 ASP A 62 -7.683 14.474 5.838 1.00 0.00 O ATOM 0 H ASP A 62 -7.460 10.362 4.651 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.925 11.326 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.528 13.455 5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.303 12.543 3.908 1.00 0.00 H new ATOM 866 N GLN A 63 -6.329 12.509 7.868 1.00 0.00 N ATOM 867 CA GLN A 63 -6.860 12.657 9.218 1.00 0.00 C ATOM 868 C GLN A 63 -8.381 12.554 9.219 1.00 0.00 C ATOM 869 O GLN A 63 -8.975 12.012 10.151 1.00 0.00 O ATOM 870 CB GLN A 63 -6.427 13.997 9.815 1.00 0.00 C ATOM 871 CG GLN A 63 -7.002 15.202 9.087 1.00 0.00 C ATOM 872 CD GLN A 63 -6.132 16.435 9.222 1.00 0.00 C ATOM 873 OE1 GLN A 63 -5.685 17.006 8.227 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.886 16.854 10.458 1.00 0.00 N ATOM 0 H GLN A 63 -5.721 13.271 7.568 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.459 11.849 9.830 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.732 14.035 10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.339 14.058 9.798 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.122 14.960 8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.996 15.418 9.479 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.277 16.351 11.254 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.306 17.679 10.611 1.00 0.00 H new ATOM 883 N GLU A 64 -9.006 13.078 8.169 1.00 0.00 N ATOM 884 CA GLU A 64 -10.459 13.045 8.051 1.00 0.00 C ATOM 885 C GLU A 64 -10.926 11.721 7.454 1.00 0.00 C ATOM 886 O GLU A 64 -12.071 11.312 7.644 1.00 0.00 O ATOM 887 CB GLU A 64 -10.948 14.208 7.185 1.00 0.00 C ATOM 888 CG GLU A 64 -12.459 14.257 7.029 1.00 0.00 C ATOM 889 CD GLU A 64 -12.936 15.538 6.373 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.901 15.615 5.127 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.345 16.463 7.106 1.00 0.00 O ATOM 0 H GLU A 64 -8.529 13.530 7.389 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.882 13.142 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.606 15.145 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.491 14.132 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.787 13.405 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.925 14.160 8.009 1.00 0.00 H new ATOM 898 N GLY A 65 -10.031 11.055 6.731 1.00 0.00 N ATOM 899 CA GLY A 65 -10.370 9.784 6.117 1.00 0.00 C ATOM 900 C GLY A 65 -10.807 9.936 4.674 1.00 0.00 C ATOM 901 O GLY A 65 -11.794 9.336 4.249 1.00 0.00 O ATOM 0 H GLY A 65 -9.077 11.373 6.559 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.507 9.120 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.169 9.310 6.687 1.00 0.00 H new ATOM 905 N LYS A 66 -10.071 10.743 3.916 1.00 0.00 N ATOM 906 CA LYS A 66 -10.387 10.974 2.512 1.00 0.00 C ATOM 907 C LYS A 66 -9.632 9.997 1.616 1.00 0.00 C ATOM 908 O LYS A 66 -8.519 9.570 1.924 1.00 0.00 O ATOM 909 CB LYS A 66 -10.043 12.412 2.120 1.00 0.00 C ATOM 910 CG LYS A 66 -10.831 13.458 2.889 1.00 0.00 C ATOM 911 CD LYS A 66 -10.652 14.843 2.291 1.00 0.00 C ATOM 912 CE LYS A 66 -9.448 15.557 2.887 1.00 0.00 C ATOM 913 NZ LYS A 66 -8.187 15.203 2.178 1.00 0.00 N ATOM 0 H LYS A 66 -9.251 11.248 4.252 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.456 10.813 2.375 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.978 12.579 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.227 12.543 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.888 13.193 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.508 13.466 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.530 14.761 1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.550 15.435 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.603 16.635 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.357 15.297 3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.507 15.985 2.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.782 14.342 2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.390 15.034 1.172 1.00 0.00 H new ATOM 927 N PRO A 67 -10.248 9.635 0.482 1.00 0.00 N ATOM 928 CA PRO A 67 -9.651 8.706 -0.482 1.00 0.00 C ATOM 929 C PRO A 67 -8.457 9.314 -1.210 1.00 0.00 C ATOM 930 O PRO A 67 -8.549 10.406 -1.771 1.00 0.00 O ATOM 931 CB PRO A 67 -10.792 8.432 -1.465 1.00 0.00 C ATOM 932 CG PRO A 67 -11.668 9.633 -1.373 1.00 0.00 C ATOM 933 CD PRO A 67 -11.576 10.105 0.052 1.00 0.00 C ATOM 0 HA PRO A 67 -9.263 7.810 0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.416 8.293 -2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.335 7.525 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.339 10.410 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.697 9.387 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.661 11.189 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.370 9.683 0.667 1.00 0.00 H new ATOM 941 N LYS A 68 -7.336 8.601 -1.197 1.00 0.00 N ATOM 942 CA LYS A 68 -6.123 9.068 -1.856 1.00 0.00 C ATOM 943 C LYS A 68 -5.698 8.106 -2.961 1.00 0.00 C ATOM 944 O LYS A 68 -6.093 6.940 -2.966 1.00 0.00 O ATOM 945 CB LYS A 68 -4.991 9.224 -0.838 1.00 0.00 C ATOM 946 CG LYS A 68 -5.321 10.178 0.297 1.00 0.00 C ATOM 947 CD LYS A 68 -5.423 11.613 -0.192 1.00 0.00 C ATOM 948 CE LYS A 68 -4.053 12.188 -0.519 1.00 0.00 C ATOM 949 NZ LYS A 68 -4.092 13.671 -0.654 1.00 0.00 N ATOM 0 H LYS A 68 -7.243 7.696 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.335 10.038 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.751 8.246 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.098 9.579 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.263 9.883 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.552 10.109 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.057 11.653 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.903 12.225 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.347 11.913 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.686 11.748 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.140 14.024 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.746 13.933 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.417 14.092 0.239 1.00 0.00 H new ATOM 963 N ARG A 69 -4.891 8.601 -3.893 1.00 0.00 N ATOM 964 CA ARG A 69 -4.413 7.784 -5.002 1.00 0.00 C ATOM 965 C ARG A 69 -3.033 7.208 -4.697 1.00 0.00 C ATOM 966 O ARG A 69 -2.205 7.858 -4.061 1.00 0.00 O ATOM 967 CB ARG A 69 -4.359 8.612 -6.287 1.00 0.00 C ATOM 968 CG ARG A 69 -4.028 7.794 -7.525 1.00 0.00 C ATOM 969 CD ARG A 69 -5.274 7.168 -8.130 1.00 0.00 C ATOM 970 NE ARG A 69 -6.031 8.123 -8.935 1.00 0.00 N ATOM 971 CZ ARG A 69 -5.723 8.433 -10.190 1.00 0.00 C ATOM 972 NH1 ARG A 69 -4.679 7.866 -10.779 1.00 0.00 N ATOM 973 NH2 ARG A 69 -6.460 9.311 -10.857 1.00 0.00 N ATOM 0 H ARG A 69 -4.554 9.564 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.111 6.958 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.321 9.104 -6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.613 9.399 -6.171 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.544 8.432 -8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.316 7.011 -7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.988 6.318 -8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.909 6.782 -7.333 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.840 8.577 -8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.110 7.190 -10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.445 8.106 -11.742 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.264 9.749 -10.407 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.223 9.549 -11.820 1.00 0.00 H new ATOM 987 N ALA A 70 -2.795 5.983 -5.156 1.00 0.00 N ATOM 988 CA ALA A 70 -1.516 5.320 -4.934 1.00 0.00 C ATOM 989 C ALA A 70 -0.993 4.692 -6.221 1.00 0.00 C ATOM 990 O ALA A 70 -1.765 4.177 -7.030 1.00 0.00 O ATOM 991 CB ALA A 70 -1.650 4.266 -3.846 1.00 0.00 C ATOM 0 H ALA A 70 -3.471 5.430 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.796 6.072 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.687 3.779 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.971 4.740 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.388 3.523 -4.148 1.00 0.00 H new ATOM 997 N ILE A 71 0.323 4.737 -6.405 1.00 0.00 N ATOM 998 CA ILE A 71 0.948 4.172 -7.594 1.00 0.00 C ATOM 999 C ILE A 71 1.458 2.759 -7.327 1.00 0.00 C ATOM 1000 O ILE A 71 2.108 2.503 -6.314 1.00 0.00 O ATOM 1001 CB ILE A 71 2.118 5.044 -8.083 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.635 6.466 -8.376 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.755 4.430 -9.321 1.00 0.00 C ATOM 1004 CD1 ILE A 71 2.755 7.480 -8.460 1.00 0.00 C ATOM 0 H ILE A 71 0.976 5.159 -5.745 1.00 0.00 H new ATOM 0 HA ILE A 71 0.182 4.139 -8.369 1.00 0.00 H new ATOM 0 HB ILE A 71 2.871 5.091 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.084 6.467 -9.316 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.937 6.772 -7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.581 5.058 -9.655 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.130 3.435 -9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.011 4.357 -10.114 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.339 8.465 -8.670 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.293 7.508 -7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.442 7.198 -9.258 1.00 0.00 H new ATOM 1016 N VAL A 72 1.160 1.846 -8.245 1.00 0.00 N ATOM 1017 CA VAL A 72 1.591 0.459 -8.112 1.00 0.00 C ATOM 1018 C VAL A 72 2.756 0.153 -9.046 1.00 0.00 C ATOM 1019 O VAL A 72 2.678 0.388 -10.252 1.00 0.00 O ATOM 1020 CB VAL A 72 0.438 -0.518 -8.411 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.293 -0.109 -9.681 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.962 -1.942 -8.522 1.00 0.00 C ATOM 0 H VAL A 72 0.622 2.041 -9.089 1.00 0.00 H new ATOM 0 HA VAL A 72 1.913 0.326 -7.079 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.271 -0.480 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.104 -0.811 -9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.702 0.894 -9.558 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.403 -0.117 -10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.134 -2.619 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.693 -1.999 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.435 -2.230 -7.583 1.00 0.00 H new ATOM 1032 N HIS A 73 3.838 -0.373 -8.480 1.00 0.00 N ATOM 1033 CA HIS A 73 5.022 -0.712 -9.262 1.00 0.00 C ATOM 1034 C HIS A 73 5.304 -2.210 -9.197 1.00 0.00 C ATOM 1035 O HIS A 73 5.377 -2.792 -8.115 1.00 0.00 O ATOM 1036 CB HIS A 73 6.234 0.070 -8.757 1.00 0.00 C ATOM 1037 CG HIS A 73 6.385 1.418 -9.393 1.00 0.00 C ATOM 1038 ND1 HIS A 73 6.704 1.590 -10.724 1.00 0.00 N ATOM 1039 CD2 HIS A 73 6.258 2.661 -8.874 1.00 0.00 C ATOM 1040 CE1 HIS A 73 6.767 2.882 -10.995 1.00 0.00 C ATOM 1041 NE2 HIS A 73 6.500 3.553 -9.889 1.00 0.00 N ATOM 0 H HIS A 73 3.919 -0.574 -7.483 1.00 0.00 H new ATOM 0 HA HIS A 73 4.832 -0.440 -10.300 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.152 0.194 -7.677 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.136 -0.513 -8.943 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.012 2.906 -7.851 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.998 3.315 -11.957 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.477 4.569 -9.803 1.00 0.00 H new ATOM 1049 N ASP A 74 5.462 -2.828 -10.362 1.00 0.00 N ATOM 1050 CA ASP A 74 5.738 -4.258 -10.438 1.00 0.00 C ATOM 1051 C ASP A 74 7.228 -4.515 -10.636 1.00 0.00 C ATOM 1052 O ASP A 74 7.841 -3.989 -11.563 1.00 0.00 O ATOM 1053 CB ASP A 74 4.942 -4.893 -11.580 1.00 0.00 C ATOM 1054 CG ASP A 74 3.496 -4.438 -11.601 1.00 0.00 C ATOM 1055 OD1 ASP A 74 2.702 -4.947 -10.782 1.00 0.00 O ATOM 1056 OD2 ASP A 74 3.159 -3.573 -12.436 1.00 0.00 O ATOM 0 H ASP A 74 5.404 -2.361 -11.267 1.00 0.00 H new ATOM 0 HA ASP A 74 5.432 -4.712 -9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.413 -4.642 -12.531 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.977 -5.978 -11.484 1.00 0.00 H new ATOM 1061 N ASN A 75 7.805 -5.327 -9.756 1.00 0.00 N ATOM 1062 CA ASN A 75 9.225 -5.652 -9.832 1.00 0.00 C ATOM 1063 C ASN A 75 9.429 -7.094 -10.290 1.00 0.00 C ATOM 1064 O ASN A 75 10.432 -7.420 -10.924 1.00 0.00 O ATOM 1065 CB ASN A 75 9.893 -5.438 -8.473 1.00 0.00 C ATOM 1066 CG ASN A 75 9.564 -4.084 -7.874 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.744 -3.049 -8.515 1.00 0.00 O ATOM 1068 ND2 ASN A 75 9.078 -4.086 -6.638 1.00 0.00 N ATOM 0 H ASN A 75 7.311 -5.772 -8.982 1.00 0.00 H new ATOM 0 HA ASN A 75 9.685 -4.988 -10.564 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.574 -6.223 -7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.973 -5.531 -8.584 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.838 -3.205 -6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.945 -4.968 -6.144 1.00 0.00 H new ATOM 1075 N LYS A 76 8.470 -7.953 -9.964 1.00 0.00 N ATOM 1076 CA LYS A 76 8.541 -9.360 -10.342 1.00 0.00 C ATOM 1077 C LYS A 76 9.801 -10.011 -9.780 1.00 0.00 C ATOM 1078 O LYS A 76 10.354 -10.933 -10.378 1.00 0.00 O ATOM 1079 CB LYS A 76 8.517 -9.501 -11.865 1.00 0.00 C ATOM 1080 CG LYS A 76 7.269 -8.925 -12.511 1.00 0.00 C ATOM 1081 CD LYS A 76 7.452 -7.460 -12.870 1.00 0.00 C ATOM 1082 CE LYS A 76 6.621 -7.076 -14.084 1.00 0.00 C ATOM 1083 NZ LYS A 76 5.185 -7.425 -13.907 1.00 0.00 N ATOM 0 H LYS A 76 7.633 -7.700 -9.438 1.00 0.00 H new ATOM 0 HA LYS A 76 7.673 -9.868 -9.922 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.393 -9.004 -12.281 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.596 -10.557 -12.125 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.028 -9.493 -13.409 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.424 -9.031 -11.831 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.167 -6.838 -12.021 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.505 -7.262 -13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.715 -6.005 -14.264 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.012 -7.583 -14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.968 -8.286 -14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.990 -7.592 -12.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.593 -6.642 -14.249 1.00 0.00 H new ATOM 1097 N ASP A 77 10.247 -9.526 -8.626 1.00 0.00 N ATOM 1098 CA ASP A 77 11.440 -10.063 -7.982 1.00 0.00 C ATOM 1099 C ASP A 77 11.135 -10.505 -6.554 1.00 0.00 C ATOM 1100 O ASP A 77 12.004 -10.474 -5.685 1.00 0.00 O ATOM 1101 CB ASP A 77 12.558 -9.019 -7.978 1.00 0.00 C ATOM 1102 CG ASP A 77 13.872 -9.579 -7.472 1.00 0.00 C ATOM 1103 OD1 ASP A 77 14.343 -10.588 -8.037 1.00 0.00 O ATOM 1104 OD2 ASP A 77 14.430 -9.009 -6.511 1.00 0.00 O ATOM 0 H ASP A 77 9.801 -8.763 -8.118 1.00 0.00 H new ATOM 0 HA ASP A 77 11.768 -10.933 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.696 -8.635 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.261 -8.176 -7.354 1.00 0.00 H new ATOM 1109 N GLY A 78 9.892 -10.915 -6.320 1.00 0.00 N ATOM 1110 CA GLY A 78 9.493 -11.356 -4.996 1.00 0.00 C ATOM 1111 C GLY A 78 9.216 -10.198 -4.059 1.00 0.00 C ATOM 1112 O GLY A 78 9.274 -10.349 -2.838 1.00 0.00 O ATOM 0 H GLY A 78 9.154 -10.950 -7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.600 -11.976 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.279 -11.982 -4.573 1.00 0.00 H new ATOM 1116 N THR A 79 8.915 -9.035 -4.629 1.00 0.00 N ATOM 1117 CA THR A 79 8.631 -7.845 -3.836 1.00 0.00 C ATOM 1118 C THR A 79 7.629 -6.940 -4.543 1.00 0.00 C ATOM 1119 O THR A 79 7.192 -7.231 -5.657 1.00 0.00 O ATOM 1120 CB THR A 79 9.914 -7.044 -3.547 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.610 -6.775 -4.769 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.825 -7.805 -2.596 1.00 0.00 C ATOM 0 H THR A 79 8.862 -8.892 -5.638 1.00 0.00 H new ATOM 0 HA THR A 79 8.205 -8.187 -2.893 1.00 0.00 H new ATOM 0 HB THR A 79 9.629 -6.103 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.424 -6.264 -4.576 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.725 -7.219 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.303 -7.982 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.101 -8.760 -3.043 1.00 0.00 H new ATOM 1130 N TYR A 80 7.267 -5.842 -3.889 1.00 0.00 N ATOM 1131 CA TYR A 80 6.314 -4.895 -4.455 1.00 0.00 C ATOM 1132 C TYR A 80 6.570 -3.485 -3.930 1.00 0.00 C ATOM 1133 O TYR A 80 6.746 -3.280 -2.729 1.00 0.00 O ATOM 1134 CB TYR A 80 4.882 -5.321 -4.125 1.00 0.00 C ATOM 1135 CG TYR A 80 4.549 -6.724 -4.580 1.00 0.00 C ATOM 1136 CD1 TYR A 80 4.233 -6.988 -5.907 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.548 -7.785 -3.683 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.926 -8.268 -6.327 1.00 0.00 C ATOM 1139 CE2 TYR A 80 4.244 -9.068 -4.095 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.934 -9.304 -5.418 1.00 0.00 C ATOM 1141 OH TYR A 80 3.629 -10.581 -5.831 1.00 0.00 O ATOM 0 H TYR A 80 7.619 -5.586 -2.967 1.00 0.00 H new ATOM 0 HA TYR A 80 6.445 -4.890 -5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.730 -5.251 -3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.187 -4.622 -4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.227 -6.179 -6.622 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.789 -7.604 -2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.681 -8.456 -7.362 1.00 0.00 H new ATOM 0 HE2 TYR A 80 4.249 -9.882 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 80 2.656 -10.686 -5.877 1.00 0.00 H new ATOM 1151 N ALA A 81 6.589 -2.517 -4.840 1.00 0.00 N ATOM 1152 CA ALA A 81 6.821 -1.126 -4.471 1.00 0.00 C ATOM 1153 C ALA A 81 5.550 -0.297 -4.626 1.00 0.00 C ATOM 1154 O ALA A 81 4.723 -0.569 -5.496 1.00 0.00 O ATOM 1155 CB ALA A 81 7.944 -0.536 -5.312 1.00 0.00 C ATOM 0 H ALA A 81 6.447 -2.670 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 81 7.115 -1.099 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.106 0.503 -5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.859 -1.105 -5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.672 -0.583 -6.367 1.00 0.00 H new ATOM 1161 N VAL A 82 5.401 0.713 -3.776 1.00 0.00 N ATOM 1162 CA VAL A 82 4.230 1.582 -3.819 1.00 0.00 C ATOM 1163 C VAL A 82 4.610 3.030 -3.533 1.00 0.00 C ATOM 1164 O VAL A 82 5.050 3.364 -2.433 1.00 0.00 O ATOM 1165 CB VAL A 82 3.161 1.134 -2.805 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.960 2.066 -2.848 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.741 -0.303 -3.074 1.00 0.00 C ATOM 0 H VAL A 82 6.076 0.950 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 82 3.819 1.509 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 82 3.592 1.181 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.215 1.733 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.277 3.080 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.526 2.054 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.985 -0.603 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.329 -0.379 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.608 -0.958 -2.987 1.00 0.00 H new ATOM 1177 N THR A 83 4.437 3.890 -4.533 1.00 0.00 N ATOM 1178 CA THR A 83 4.762 5.303 -4.391 1.00 0.00 C ATOM 1179 C THR A 83 3.540 6.108 -3.961 1.00 0.00 C ATOM 1180 O THR A 83 2.420 5.829 -4.388 1.00 0.00 O ATOM 1181 CB THR A 83 5.311 5.889 -5.705 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.461 5.148 -6.129 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.682 7.354 -5.532 1.00 0.00 C ATOM 0 H THR A 83 4.073 3.631 -5.450 1.00 0.00 H new ATOM 0 HA THR A 83 5.531 5.374 -3.621 1.00 0.00 H new ATOM 0 HB THR A 83 4.531 5.815 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.803 5.526 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.067 7.745 -6.474 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.799 7.921 -5.238 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.446 7.447 -4.761 1.00 0.00 H new ATOM 1191 N TYR A 84 3.764 7.107 -3.114 1.00 0.00 N ATOM 1192 CA TYR A 84 2.680 7.951 -2.626 1.00 0.00 C ATOM 1193 C TYR A 84 3.193 9.341 -2.264 1.00 0.00 C ATOM 1194 O TYR A 84 4.182 9.482 -1.544 1.00 0.00 O ATOM 1195 CB TYR A 84 2.014 7.308 -1.408 1.00 0.00 C ATOM 1196 CG TYR A 84 2.683 7.657 -0.097 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.441 8.875 0.525 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.557 6.769 0.517 1.00 0.00 C ATOM 1199 CE1 TYR A 84 3.051 9.199 1.722 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.169 7.083 1.715 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.913 8.299 2.313 1.00 0.00 C ATOM 1202 OH TYR A 84 4.523 8.616 3.506 1.00 0.00 O ATOM 0 H TYR A 84 4.686 7.352 -2.752 1.00 0.00 H new ATOM 0 HA TYR A 84 1.944 8.051 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.970 7.620 -1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.018 6.225 -1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.765 9.581 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.762 5.817 0.050 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.854 10.151 2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.844 6.380 2.181 1.00 0.00 H new ATOM 0 HH TYR A 84 4.245 7.977 4.195 1.00 0.00 H new ATOM 1212 N ILE A 85 2.514 10.365 -2.768 1.00 0.00 N ATOM 1213 CA ILE A 85 2.899 11.745 -2.497 1.00 0.00 C ATOM 1214 C ILE A 85 1.919 12.411 -1.536 1.00 0.00 C ATOM 1215 O ILE A 85 0.810 12.793 -1.908 1.00 0.00 O ATOM 1216 CB ILE A 85 2.973 12.574 -3.793 1.00 0.00 C ATOM 1217 CG1 ILE A 85 4.014 11.981 -4.744 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.302 14.025 -3.475 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.778 12.336 -6.196 1.00 0.00 C ATOM 0 H ILE A 85 1.694 10.266 -3.367 1.00 0.00 H new ATOM 0 HA ILE A 85 3.888 11.712 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 85 2.000 12.542 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.004 12.330 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.014 10.896 -4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.351 14.598 -4.401 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.527 14.441 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.264 14.077 -2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.554 11.882 -6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.802 11.963 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.808 13.419 -6.315 1.00 0.00 H new ATOM 1231 N PRO A 86 2.338 12.555 -0.270 1.00 0.00 N ATOM 1232 CA PRO A 86 1.514 13.177 0.770 1.00 0.00 C ATOM 1233 C PRO A 86 1.341 14.677 0.553 1.00 0.00 C ATOM 1234 O PRO A 86 2.318 15.424 0.510 1.00 0.00 O ATOM 1235 CB PRO A 86 2.302 12.911 2.055 1.00 0.00 C ATOM 1236 CG PRO A 86 3.715 12.754 1.606 1.00 0.00 C ATOM 1237 CD PRO A 86 3.649 12.122 0.243 1.00 0.00 C ATOM 0 HA PRO A 86 0.502 12.773 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.200 13.736 2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.945 12.014 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.221 13.719 1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.278 12.129 2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.463 12.461 -0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.720 11.036 0.300 1.00 0.00 H new ATOM 1245 N ASP A 87 0.092 15.110 0.417 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.209 16.521 0.206 1.00 0.00 C ATOM 1247 C ASP A 87 -0.658 17.181 1.506 1.00 0.00 C ATOM 1248 O ASP A 87 -0.059 18.157 1.959 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.292 16.679 -0.862 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.280 18.054 -1.500 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -0.179 18.617 -1.675 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -2.372 18.568 -1.823 1.00 0.00 O ATOM 0 H ASP A 87 -0.728 14.504 0.449 1.00 0.00 H new ATOM 0 HA ASP A 87 0.701 17.015 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.150 15.922 -1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.269 16.498 -0.414 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.717 16.644 2.101 1.00 0.00 N ATOM 1258 CA LYS A 88 -2.248 17.179 3.349 1.00 0.00 C ATOM 1259 C LYS A 88 -1.451 16.665 4.544 1.00 0.00 C ATOM 1260 O LYS A 88 -1.357 15.458 4.769 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.722 16.800 3.505 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.677 17.802 2.879 1.00 0.00 C ATOM 1263 CD LYS A 88 -4.719 17.662 1.366 1.00 0.00 C ATOM 1264 CE LYS A 88 -5.908 18.400 0.771 1.00 0.00 C ATOM 1265 NZ LYS A 88 -5.586 19.824 0.477 1.00 0.00 N ATOM 0 H LYS A 88 -2.225 15.837 1.739 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.160 18.265 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.887 15.822 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.954 16.704 4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.677 17.656 3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.369 18.814 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.796 18.052 0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.773 16.607 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.223 17.902 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.748 18.353 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.422 20.293 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.310 20.306 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.801 19.869 -0.204 1.00 0.00 H new ATOM 1279 N THR A 89 -0.880 17.589 5.311 1.00 0.00 N ATOM 1280 CA THR A 89 -0.092 17.229 6.483 1.00 0.00 C ATOM 1281 C THR A 89 -0.984 16.726 7.612 1.00 0.00 C ATOM 1282 O THR A 89 -2.170 17.046 7.668 1.00 0.00 O ATOM 1283 CB THR A 89 0.736 18.425 6.992 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.109 19.567 7.166 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.857 18.760 6.020 1.00 0.00 C ATOM 0 H THR A 89 -0.949 18.592 5.141 1.00 0.00 H new ATOM 0 HA THR A 89 0.585 16.432 6.176 1.00 0.00 H new ATOM 0 HB THR A 89 1.178 18.151 7.950 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.424 20.322 7.491 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.428 19.607 6.401 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.515 17.898 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.433 19.015 5.049 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.405 15.936 8.510 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.163 15.401 9.627 1.00 0.00 C ATOM 1295 C GLY A 90 -0.932 13.916 9.826 1.00 0.00 C ATOM 1296 O GLY A 90 0.169 13.416 9.594 1.00 0.00 O ATOM 0 H GLY A 90 0.576 15.656 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.888 15.934 10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.225 15.581 9.461 1.00 0.00 H new ATOM 1300 N ARG A 91 -1.971 13.211 10.260 1.00 0.00 N ATOM 1301 CA ARG A 91 -1.875 11.775 10.494 1.00 0.00 C ATOM 1302 C ARG A 91 -2.396 10.992 9.292 1.00 0.00 C ATOM 1303 O ARG A 91 -3.504 11.235 8.813 1.00 0.00 O ATOM 1304 CB ARG A 91 -2.661 11.387 11.748 1.00 0.00 C ATOM 1305 CG ARG A 91 -4.153 11.658 11.640 1.00 0.00 C ATOM 1306 CD ARG A 91 -4.865 11.386 12.955 1.00 0.00 C ATOM 1307 NE ARG A 91 -6.083 12.180 13.093 1.00 0.00 N ATOM 1308 CZ ARG A 91 -7.008 11.952 14.019 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -6.854 10.960 14.884 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -8.090 12.718 14.080 1.00 0.00 N ATOM 0 H ARG A 91 -2.889 13.610 10.457 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.824 11.526 10.641 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.507 10.327 11.950 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.262 11.935 12.601 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.315 12.695 11.345 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.582 11.033 10.857 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.114 10.327 13.020 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.192 11.607 13.784 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.232 12.952 12.443 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.024 10.369 14.840 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.566 10.787 15.594 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.212 13.482 13.416 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.800 12.542 14.791 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.590 10.053 8.810 1.00 0.00 N ATOM 1325 CA TYR A 92 -1.968 9.237 7.662 1.00 0.00 C ATOM 1326 C TYR A 92 -2.247 7.798 8.086 1.00 0.00 C ATOM 1327 O TYR A 92 -1.492 7.209 8.858 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.863 9.264 6.605 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.965 10.433 5.652 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.828 10.394 4.564 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.199 11.577 5.839 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.925 11.460 3.690 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.290 12.648 4.972 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.154 12.585 3.899 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.246 13.649 3.031 1.00 0.00 O ATOM 0 H TYR A 92 -0.671 9.838 9.196 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.880 9.655 7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.105 9.297 7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.896 8.336 6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.434 9.515 4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.480 11.630 6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.600 11.413 2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.312 13.530 5.133 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.493 14.456 3.528 1.00 0.00 H new ATOM 1345 N MET A 93 -3.338 7.238 7.573 1.00 0.00 N ATOM 1346 CA MET A 93 -3.717 5.868 7.896 1.00 0.00 C ATOM 1347 C MET A 93 -3.764 5.006 6.638 1.00 0.00 C ATOM 1348 O MET A 93 -4.624 5.194 5.777 1.00 0.00 O ATOM 1349 CB MET A 93 -5.078 5.843 8.595 1.00 0.00 C ATOM 1350 CG MET A 93 -5.251 4.672 9.548 1.00 0.00 C ATOM 1351 SD MET A 93 -6.323 5.064 10.943 1.00 0.00 S ATOM 1352 CE MET A 93 -5.114 5.532 12.179 1.00 0.00 C ATOM 0 H MET A 93 -3.975 7.712 6.932 1.00 0.00 H new ATOM 0 HA MET A 93 -2.963 5.459 8.569 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.210 6.773 9.148 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.864 5.806 7.841 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.666 3.824 9.003 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.274 4.365 9.921 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.625 5.803 13.103 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.443 4.694 12.367 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.538 6.385 11.820 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.834 4.062 6.538 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.770 3.172 5.386 1.00 0.00 C ATOM 1364 C ILE A 94 -3.230 1.764 5.752 1.00 0.00 C ATOM 1365 O ILE A 94 -2.836 1.220 6.783 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.344 3.100 4.808 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.813 4.507 4.527 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.328 2.258 3.541 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.695 4.577 4.439 1.00 0.00 C ATOM 0 H ILE A 94 -2.115 3.894 7.241 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.439 3.585 4.631 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.693 2.627 5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.241 4.868 3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.155 5.179 5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.314 2.217 3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.669 1.249 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.990 2.705 2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.000 5.604 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.130 4.247 5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.043 3.931 3.633 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.065 1.179 4.899 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.563 -0.160 5.150 1.00 0.00 C ATOM 1383 C GLY A 95 -4.271 -1.111 4.006 1.00 0.00 C ATOM 1384 O GLY A 95 -4.971 -1.110 2.994 1.00 0.00 O ATOM 0 H GLY A 95 -4.405 1.609 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.112 -0.547 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.639 -0.119 5.318 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.232 -1.924 4.165 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.847 -2.884 3.138 1.00 0.00 C ATOM 1390 C VAL A 96 -3.637 -4.181 3.274 1.00 0.00 C ATOM 1391 O VAL A 96 -3.796 -4.712 4.373 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.342 -3.204 3.203 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.971 -4.243 2.156 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.520 -1.936 3.022 1.00 0.00 C ATOM 0 H VAL A 96 -2.641 -1.937 4.996 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.071 -2.424 2.176 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.118 -3.618 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.096 -4.456 2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.535 -5.158 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.208 -3.860 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.541 -2.180 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.746 -1.491 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.766 -1.227 3.813 1.00 0.00 H new ATOM 1404 N THR A 97 -4.131 -4.688 2.148 1.00 0.00 N ATOM 1405 CA THR A 97 -4.905 -5.923 2.141 1.00 0.00 C ATOM 1406 C THR A 97 -4.310 -6.939 1.173 1.00 0.00 C ATOM 1407 O THR A 97 -3.865 -6.585 0.082 1.00 0.00 O ATOM 1408 CB THR A 97 -6.374 -5.663 1.755 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.436 -4.952 0.513 1.00 0.00 O ATOM 1410 CG2 THR A 97 -7.084 -4.865 2.838 1.00 0.00 C ATOM 0 H THR A 97 -4.008 -4.262 1.229 1.00 0.00 H new ATOM 0 HA THR A 97 -4.868 -6.325 3.154 1.00 0.00 H new ATOM 0 HB THR A 97 -6.874 -6.625 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.373 -4.792 0.274 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.119 -4.693 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.060 -5.422 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.582 -3.907 2.973 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.306 -8.204 1.580 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.763 -9.272 0.749 1.00 0.00 C ATOM 1420 C TYR A 98 -4.748 -10.432 0.641 1.00 0.00 C ATOM 1421 O TYR A 98 -5.026 -11.119 1.623 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.435 -9.768 1.323 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.483 -10.299 0.275 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.738 -9.434 -0.517 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.328 -11.666 0.078 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.132 -9.915 -1.476 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.459 -12.155 -0.878 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.268 -11.276 -1.653 1.00 0.00 C ATOM 1429 OH TYR A 98 1.135 -11.759 -2.606 1.00 0.00 O ATOM 0 H TYR A 98 -4.673 -8.514 2.480 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.592 -8.870 -0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.953 -8.951 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.635 -10.553 2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.841 -8.368 -0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.896 -12.357 0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.703 -9.229 -2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.349 -13.220 -1.018 1.00 0.00 H new ATOM 0 HH TYR A 98 1.724 -12.431 -2.202 1.00 0.00 H new ATOM 1439 N GLY A 99 -5.274 -10.643 -0.562 1.00 0.00 N ATOM 1440 CA GLY A 99 -6.222 -11.720 -0.778 1.00 0.00 C ATOM 1441 C GLY A 99 -7.527 -11.502 -0.038 1.00 0.00 C ATOM 1442 O GLY A 99 -8.024 -12.402 0.637 1.00 0.00 O ATOM 0 H GLY A 99 -5.060 -10.087 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.424 -11.813 -1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.778 -12.661 -0.455 1.00 0.00 H new ATOM 1446 N GLY A 100 -8.082 -10.300 -0.162 1.00 0.00 N ATOM 1447 CA GLY A 100 -9.331 -9.987 0.508 1.00 0.00 C ATOM 1448 C GLY A 100 -9.236 -10.142 2.013 1.00 0.00 C ATOM 1449 O GLY A 100 -10.214 -10.502 2.669 1.00 0.00 O ATOM 0 H GLY A 100 -7.689 -9.538 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.622 -8.964 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.117 -10.639 0.128 1.00 0.00 H new ATOM 1453 N ASP A 101 -8.056 -9.873 2.561 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.837 -9.985 3.998 1.00 0.00 C ATOM 1455 C ASP A 101 -6.718 -9.053 4.452 1.00 0.00 C ATOM 1456 O ASP A 101 -5.572 -9.187 4.021 1.00 0.00 O ATOM 1457 CB ASP A 101 -7.499 -11.429 4.373 1.00 0.00 C ATOM 1458 CG ASP A 101 -8.734 -12.248 4.694 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -9.399 -11.946 5.707 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -9.036 -13.189 3.932 1.00 0.00 O ATOM 0 H ASP A 101 -7.236 -9.576 2.032 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.757 -9.692 4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.959 -11.898 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.831 -11.431 5.235 1.00 0.00 H new ATOM 1465 N ASP A 102 -7.057 -8.109 5.322 1.00 0.00 N ATOM 1466 CA ASP A 102 -6.081 -7.155 5.835 1.00 0.00 C ATOM 1467 C ASP A 102 -5.219 -7.789 6.922 1.00 0.00 C ATOM 1468 O ASP A 102 -5.634 -8.746 7.577 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.788 -5.915 6.385 1.00 0.00 C ATOM 1470 CG ASP A 102 -8.099 -5.635 5.679 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -8.953 -6.545 5.629 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -8.273 -4.506 5.174 1.00 0.00 O ATOM 0 H ASP A 102 -8.001 -7.984 5.687 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.433 -6.858 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.974 -6.049 7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.132 -5.051 6.282 1.00 0.00 H new ATOM 1477 N ILE A 103 -4.018 -7.252 7.107 1.00 0.00 N ATOM 1478 CA ILE A 103 -3.099 -7.766 8.114 1.00 0.00 C ATOM 1479 C ILE A 103 -3.437 -7.220 9.497 1.00 0.00 C ATOM 1480 O ILE A 103 -4.031 -6.151 9.641 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.638 -7.410 7.777 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.512 -5.916 7.473 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -1.150 -8.239 6.599 1.00 0.00 C ATOM 1484 CD1 ILE A 103 -0.080 -5.446 7.337 1.00 0.00 C ATOM 0 H ILE A 103 -3.659 -6.461 6.572 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.209 -8.850 8.117 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.014 -7.640 8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.048 -5.695 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.998 -5.349 8.267 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.117 -7.976 6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.209 -9.298 6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.775 -8.037 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.067 -4.378 7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.455 -5.635 8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.404 -5.986 6.524 1.00 0.00 H new ATOM 1496 N PRO A 104 -3.049 -7.969 10.540 1.00 0.00 N ATOM 1497 CA PRO A 104 -3.299 -7.579 11.931 1.00 0.00 C ATOM 1498 C PRO A 104 -2.460 -6.378 12.355 1.00 0.00 C ATOM 1499 O PRO A 104 -2.465 -5.986 13.523 1.00 0.00 O ATOM 1500 CB PRO A 104 -2.893 -8.822 12.726 1.00 0.00 C ATOM 1501 CG PRO A 104 -1.906 -9.522 11.857 1.00 0.00 C ATOM 1502 CD PRO A 104 -2.336 -9.253 10.442 1.00 0.00 C ATOM 0 HA PRO A 104 -4.333 -7.274 12.090 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -2.453 -8.552 13.686 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.754 -9.456 12.937 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.897 -9.151 12.035 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -1.893 -10.592 12.064 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -1.482 -9.188 9.768 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.983 -10.044 10.061 1.00 0.00 H new ATOM 1510 N LEU A 105 -1.741 -5.797 11.401 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.897 -4.639 11.676 1.00 0.00 C ATOM 1512 C LEU A 105 -1.555 -3.356 11.180 1.00 0.00 C ATOM 1513 O LEU A 105 -1.297 -2.272 11.703 1.00 0.00 O ATOM 1514 CB LEU A 105 0.472 -4.813 11.016 1.00 0.00 C ATOM 1515 CG LEU A 105 1.253 -6.066 11.412 1.00 0.00 C ATOM 1516 CD1 LEU A 105 2.454 -6.257 10.499 1.00 0.00 C ATOM 1517 CD2 LEU A 105 1.695 -5.983 12.866 1.00 0.00 C ATOM 0 H LEU A 105 -1.725 -6.109 10.430 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.766 -4.564 12.755 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.333 -4.822 9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.081 -3.940 11.252 1.00 0.00 H new ATOM 0 HG LEU A 105 0.597 -6.929 11.301 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.998 -7.154 10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.115 -6.363 9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.112 -5.391 10.577 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.249 -6.884 13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.334 -5.111 13.003 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.819 -5.895 13.508 1.00 0.00 H new ATOM 1529 N SER A 106 -2.407 -3.487 10.168 1.00 0.00 N ATOM 1530 CA SER A 106 -3.101 -2.337 9.599 1.00 0.00 C ATOM 1531 C SER A 106 -4.256 -1.902 10.496 1.00 0.00 C ATOM 1532 O SER A 106 -4.803 -2.686 11.271 1.00 0.00 O ATOM 1533 CB SER A 106 -3.624 -2.671 8.201 1.00 0.00 C ATOM 1534 OG SER A 106 -4.252 -3.941 8.181 1.00 0.00 O ATOM 0 H SER A 106 -2.633 -4.378 9.725 1.00 0.00 H new ATOM 0 HA SER A 106 -2.390 -1.514 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.333 -1.907 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.799 -2.658 7.488 1.00 0.00 H new ATOM 0 HG SER A 106 -4.210 -4.341 9.075 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.636 -0.620 10.389 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.991 0.323 9.470 1.00 0.00 C ATOM 1542 C PRO A 107 -2.573 0.678 9.904 1.00 0.00 C ATOM 1543 O PRO A 107 -2.065 0.148 10.892 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.895 1.557 9.535 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.552 1.474 10.870 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.724 0.008 11.157 1.00 0.00 C ATOM 0 HA PRO A 107 -3.886 -0.093 8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.318 2.476 9.434 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.630 1.552 8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.941 1.952 11.636 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.514 1.986 10.864 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.639 -0.206 12.222 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.702 -0.352 10.837 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.939 1.577 9.160 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.579 2.001 9.467 1.00 0.00 C ATOM 1556 C TYR A 108 -0.544 3.473 9.866 1.00 0.00 C ATOM 1557 O TYR A 108 -0.926 4.348 9.088 1.00 0.00 O ATOM 1558 CB TYR A 108 0.336 1.765 8.264 1.00 0.00 C ATOM 1559 CG TYR A 108 0.901 0.365 8.198 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.168 -0.677 7.643 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.170 0.083 8.691 1.00 0.00 C ATOM 1562 CE1 TYR A 108 0.681 -1.958 7.582 1.00 0.00 C ATOM 1563 CE2 TYR A 108 2.691 -1.195 8.633 1.00 0.00 C ATOM 1564 CZ TYR A 108 1.943 -2.212 8.078 1.00 0.00 C ATOM 1565 OH TYR A 108 2.458 -3.487 8.018 1.00 0.00 O ATOM 0 H TYR A 108 -2.346 2.026 8.340 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.222 1.407 10.308 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.222 1.966 7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.159 2.479 8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.820 -0.482 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.759 0.877 9.127 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.097 -2.756 7.148 1.00 0.00 H new ATOM 0 HE2 TYR A 108 3.679 -1.397 9.020 1.00 0.00 H new ATOM 0 HH TYR A 108 3.357 -3.495 8.409 1.00 0.00 H new ATOM 1575 N ARG A 109 -0.082 3.739 11.083 1.00 0.00 N ATOM 1576 CA ARG A 109 0.004 5.105 11.587 1.00 0.00 C ATOM 1577 C ARG A 109 1.287 5.780 11.113 1.00 0.00 C ATOM 1578 O ARG A 109 2.373 5.206 11.206 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.055 5.112 13.115 1.00 0.00 C ATOM 1580 CG ARG A 109 1.115 4.398 13.773 1.00 0.00 C ATOM 1581 CD ARG A 109 2.238 5.366 14.113 1.00 0.00 C ATOM 1582 NE ARG A 109 1.902 6.216 15.252 1.00 0.00 N ATOM 1583 CZ ARG A 109 2.005 5.824 16.517 1.00 0.00 C ATOM 1584 NH1 ARG A 109 2.434 4.602 16.803 1.00 0.00 N ATOM 1585 NH2 ARG A 109 1.681 6.655 17.499 1.00 0.00 N ATOM 0 H ARG A 109 0.239 3.027 11.739 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.846 5.664 11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.083 6.144 13.464 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.984 4.641 13.436 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.775 3.900 14.681 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.491 3.622 13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 109 3.146 4.805 14.335 1.00 0.00 H new ATOM 0 HD3 ARG A 109 2.453 5.990 13.246 1.00 0.00 H new ATOM 0 HE ARG A 109 1.570 7.162 15.066 1.00 0.00 H new ATOM 0 HH11 ARG A 109 2.686 3.961 16.051 1.00 0.00 H new ATOM 0 HH12 ARG A 109 2.512 4.303 17.775 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.352 7.596 17.283 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.761 6.353 18.470 1.00 0.00 H new ATOM 1599 N ILE A 110 1.155 7.001 10.605 1.00 0.00 N ATOM 1600 CA ILE A 110 2.304 7.754 10.118 1.00 0.00 C ATOM 1601 C ILE A 110 2.076 9.255 10.256 1.00 0.00 C ATOM 1602 O ILE A 110 0.937 9.721 10.274 1.00 0.00 O ATOM 1603 CB ILE A 110 2.608 7.425 8.644 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.594 5.911 8.423 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.951 8.012 8.237 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.794 5.509 6.978 1.00 0.00 C ATOM 0 H ILE A 110 0.264 7.490 10.520 1.00 0.00 H new ATOM 0 HA ILE A 110 3.157 7.461 10.731 1.00 0.00 H new ATOM 0 HB ILE A 110 1.834 7.872 8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.377 5.456 9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.644 5.509 8.775 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.152 7.771 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.928 9.095 8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.737 7.591 8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.773 4.422 6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.997 5.934 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.757 5.880 6.627 1.00 0.00 H new ATOM 1618 N ARG A 111 3.168 10.007 10.351 1.00 0.00 N ATOM 1619 CA ARG A 111 3.087 11.457 10.486 1.00 0.00 C ATOM 1620 C ARG A 111 3.957 12.149 9.442 1.00 0.00 C ATOM 1621 O ARG A 111 5.165 11.924 9.378 1.00 0.00 O ATOM 1622 CB ARG A 111 3.519 11.884 11.890 1.00 0.00 C ATOM 1623 CG ARG A 111 2.457 11.650 12.952 1.00 0.00 C ATOM 1624 CD ARG A 111 2.940 12.082 14.328 1.00 0.00 C ATOM 1625 NE ARG A 111 3.173 13.522 14.398 1.00 0.00 N ATOM 1626 CZ ARG A 111 4.316 14.099 14.043 1.00 0.00 C ATOM 1627 NH1 ARG A 111 5.323 13.363 13.593 1.00 0.00 N ATOM 1628 NH2 ARG A 111 4.452 15.416 14.135 1.00 0.00 N ATOM 0 H ARG A 111 4.118 9.637 10.337 1.00 0.00 H new ATOM 0 HA ARG A 111 2.051 11.755 10.326 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.422 11.338 12.165 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.778 12.943 11.875 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.554 12.202 12.692 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.190 10.594 12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.202 11.797 15.077 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.862 11.553 14.571 1.00 0.00 H new ATOM 0 HE ARG A 111 2.417 14.117 14.738 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.221 12.351 13.519 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.199 13.809 13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.679 15.986 14.478 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.330 15.858 13.862 1.00 0.00 H new ATOM 1642 N ALA A 112 3.334 12.993 8.625 1.00 0.00 N ATOM 1643 CA ALA A 112 4.052 13.719 7.585 1.00 0.00 C ATOM 1644 C ALA A 112 4.752 14.947 8.156 1.00 0.00 C ATOM 1645 O ALA A 112 4.117 15.965 8.434 1.00 0.00 O ATOM 1646 CB ALA A 112 3.098 14.124 6.470 1.00 0.00 C ATOM 0 H ALA A 112 2.334 13.190 8.664 1.00 0.00 H new ATOM 0 HA ALA A 112 4.814 13.057 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.647 14.665 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.647 13.232 6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.315 14.765 6.876 1.00 0.00 H new ATOM 1652 N THR A 113 6.066 14.846 8.331 1.00 0.00 N ATOM 1653 CA THR A 113 6.853 15.947 8.871 1.00 0.00 C ATOM 1654 C THR A 113 7.077 17.029 7.821 1.00 0.00 C ATOM 1655 O THR A 113 7.802 16.821 6.849 1.00 0.00 O ATOM 1656 CB THR A 113 8.218 15.461 9.391 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.973 14.883 8.319 1.00 0.00 O ATOM 1658 CG2 THR A 113 8.041 14.437 10.502 1.00 0.00 C ATOM 0 H THR A 113 6.608 14.012 8.106 1.00 0.00 H new ATOM 0 HA THR A 113 6.284 16.363 9.702 1.00 0.00 H new ATOM 0 HB THR A 113 8.756 16.320 9.792 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.747 15.335 7.479 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.019 14.108 10.853 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.491 14.888 11.328 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.485 13.580 10.122 1.00 0.00 H new