USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl -171:sc= -1.87 (180deg=-2.46) USER MOD Set 1.2: B 84 MET CE :methyl -126:sc= -1.86 (180deg=-3.48!) USER MOD Single : A 75 THR OG1 : rot 23:sc= 0.157 USER MOD Single : A 79 SER OG : rot 75:sc= 0.668 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 88:sc= 0.417 USER MOD Single : A 92 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00564) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -145:sc= -0.225 (180deg=-1) USER MOD Single : A 103 LYS NZ :NH3+ -170:sc= 0.668 (180deg=0.6) USER MOD Single : A 108 HIS : no HD1:sc= -0.0667 X(o=-0.067,f=-0.51) USER MOD Single : B 75 THR OG1 : rot 31:sc= 0.0907 USER MOD Single : B 79 SER OG : rot 71:sc= 0.816 USER MOD Single : B 86 LYS NZ :NH3+ 146:sc= 0.882 (180deg=0.119) USER MOD Single : B 91 THR OG1 : rot 100:sc= 1.1 USER MOD Single : B 92 TYR OH : rot 180:sc= -0.934 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 SER OG : rot 180:sc= -0.0142 USER MOD Single : B 99 MET CE :methyl -155:sc= -0.195 (180deg=-0.795) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.2) USER MOD Single : B 116 CYS SG : rot -23:sc= 0.198 USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 75 -12.369 -4.733 3.151 1.00 65.04 N ATOM 242 CA THR A 75 -12.185 -3.574 4.048 1.00 30.40 C ATOM 243 C THR A 75 -10.800 -3.599 4.727 1.00 34.32 C ATOM 244 O THR A 75 -10.225 -2.539 5.028 1.00 4.34 O ATOM 245 CB THR A 75 -13.305 -3.549 5.153 1.00 63.21 C ATOM 246 OG1 THR A 75 -14.596 -3.687 4.552 1.00 12.13 O ATOM 247 CG2 THR A 75 -13.297 -2.249 5.990 1.00 25.10 C ATOM 0 HA THR A 75 -12.255 -2.675 3.435 1.00 30.40 H new ATOM 0 HB THR A 75 -13.092 -4.385 5.820 1.00 63.21 H new ATOM 0 HG1 THR A 75 -14.505 -4.121 3.678 1.00 12.13 H new ATOM 0 HG21 THR A 75 -14.092 -2.291 6.735 1.00 25.10 H new ATOM 0 HG22 THR A 75 -12.335 -2.145 6.491 1.00 25.10 H new ATOM 0 HG23 THR A 75 -13.459 -1.393 5.335 1.00 25.10 H new ATOM 255 N ASP A 76 -10.277 -4.826 4.944 1.00 43.41 N ATOM 256 CA ASP A 76 -8.949 -5.052 5.528 1.00 34.34 C ATOM 257 C ASP A 76 -7.866 -4.340 4.716 1.00 53.25 C ATOM 258 O ASP A 76 -7.055 -3.616 5.281 1.00 12.40 O ATOM 259 CB ASP A 76 -8.642 -6.565 5.591 1.00 22.52 C ATOM 260 CG ASP A 76 -7.366 -6.888 6.387 1.00 63.03 C ATOM 261 OD1 ASP A 76 -7.453 -7.050 7.623 1.00 55.34 O ATOM 262 OD2 ASP A 76 -6.274 -6.986 5.792 1.00 61.14 O ATOM 0 H ASP A 76 -10.772 -5.688 4.715 1.00 43.41 H new ATOM 0 HA ASP A 76 -8.952 -4.643 6.538 1.00 34.34 H new ATOM 0 HB2 ASP A 76 -9.487 -7.083 6.045 1.00 22.52 H new ATOM 0 HB3 ASP A 76 -8.538 -6.951 4.577 1.00 22.52 H new ATOM 267 N LEU A 77 -7.901 -4.551 3.386 1.00 64.33 N ATOM 268 CA LEU A 77 -6.931 -3.974 2.442 1.00 63.40 C ATOM 269 C LEU A 77 -6.902 -2.438 2.560 1.00 62.03 C ATOM 270 O LEU A 77 -5.823 -1.847 2.667 1.00 4.02 O ATOM 271 CB LEU A 77 -7.260 -4.436 0.990 1.00 33.31 C ATOM 272 CG LEU A 77 -6.384 -3.836 -0.164 1.00 44.13 C ATOM 273 CD1 LEU A 77 -4.873 -3.974 0.108 1.00 72.22 C ATOM 274 CD2 LEU A 77 -6.758 -4.462 -1.530 1.00 74.11 C ATOM 0 H LEU A 77 -8.609 -5.131 2.936 1.00 64.33 H new ATOM 0 HA LEU A 77 -5.933 -4.335 2.692 1.00 63.40 H new ATOM 0 HB2 LEU A 77 -7.173 -5.522 0.952 1.00 33.31 H new ATOM 0 HB3 LEU A 77 -8.303 -4.193 0.785 1.00 33.31 H new ATOM 0 HG LEU A 77 -6.603 -2.769 -0.201 1.00 44.13 H new ATOM 0 HD11 LEU A 77 -4.313 -3.543 -0.722 1.00 72.22 H new ATOM 0 HD12 LEU A 77 -4.620 -3.449 1.029 1.00 72.22 H new ATOM 0 HD13 LEU A 77 -4.616 -5.028 0.210 1.00 72.22 H new ATOM 0 HD21 LEU A 77 -6.135 -4.028 -2.312 1.00 74.11 H new ATOM 0 HD22 LEU A 77 -6.596 -5.539 -1.493 1.00 74.11 H new ATOM 0 HD23 LEU A 77 -7.807 -4.260 -1.748 1.00 74.11 H new ATOM 286 N LEU A 78 -8.102 -1.830 2.586 1.00 1.22 N ATOM 287 CA LEU A 78 -8.280 -0.370 2.730 1.00 11.21 C ATOM 288 C LEU A 78 -7.587 0.148 4.002 1.00 5.43 C ATOM 289 O LEU A 78 -6.888 1.167 3.976 1.00 33.25 O ATOM 290 CB LEU A 78 -9.795 -0.036 2.755 1.00 21.35 C ATOM 291 CG LEU A 78 -10.166 1.472 2.637 1.00 42.25 C ATOM 292 CD1 LEU A 78 -9.821 2.033 1.241 1.00 20.23 C ATOM 293 CD2 LEU A 78 -11.648 1.711 2.991 1.00 53.13 C ATOM 0 H LEU A 78 -8.982 -2.339 2.507 1.00 1.22 H new ATOM 0 HA LEU A 78 -7.817 0.128 1.878 1.00 11.21 H new ATOM 0 HB2 LEU A 78 -10.278 -0.573 1.939 1.00 21.35 H new ATOM 0 HB3 LEU A 78 -10.216 -0.421 3.684 1.00 21.35 H new ATOM 0 HG LEU A 78 -9.562 2.017 3.362 1.00 42.25 H new ATOM 0 HD11 LEU A 78 -10.093 3.087 1.195 1.00 20.23 H new ATOM 0 HD12 LEU A 78 -8.751 1.926 1.060 1.00 20.23 H new ATOM 0 HD13 LEU A 78 -10.374 1.482 0.481 1.00 20.23 H new ATOM 0 HD21 LEU A 78 -11.877 2.773 2.900 1.00 53.13 H new ATOM 0 HD22 LEU A 78 -12.281 1.143 2.309 1.00 53.13 H new ATOM 0 HD23 LEU A 78 -11.834 1.386 4.015 1.00 53.13 H new ATOM 305 N SER A 79 -7.775 -0.599 5.096 1.00 61.03 N ATOM 306 CA SER A 79 -7.198 -0.278 6.399 1.00 50.33 C ATOM 307 C SER A 79 -5.665 -0.448 6.391 1.00 53.43 C ATOM 308 O SER A 79 -4.967 0.361 6.990 1.00 25.32 O ATOM 309 CB SER A 79 -7.833 -1.172 7.476 1.00 13.53 C ATOM 310 OG SER A 79 -9.253 -1.137 7.400 1.00 31.42 O ATOM 0 H SER A 79 -8.337 -1.450 5.098 1.00 61.03 H new ATOM 0 HA SER A 79 -7.411 0.767 6.624 1.00 50.33 H new ATOM 0 HB2 SER A 79 -7.485 -2.197 7.353 1.00 13.53 H new ATOM 0 HB3 SER A 79 -7.511 -0.842 8.463 1.00 13.53 H new ATOM 0 HG SER A 79 -9.553 -1.666 6.631 1.00 31.42 H new ATOM 316 N VAL A 80 -5.154 -1.503 5.701 1.00 51.43 N ATOM 317 CA VAL A 80 -3.699 -1.804 5.634 1.00 25.15 C ATOM 318 C VAL A 80 -2.952 -0.639 4.989 1.00 35.31 C ATOM 319 O VAL A 80 -1.889 -0.242 5.466 1.00 11.05 O ATOM 320 CB VAL A 80 -3.380 -3.147 4.856 1.00 3.45 C ATOM 321 CG1 VAL A 80 -1.851 -3.391 4.687 1.00 33.31 C ATOM 322 CG2 VAL A 80 -4.030 -4.362 5.547 1.00 62.14 C ATOM 0 H VAL A 80 -5.733 -2.162 5.181 1.00 51.43 H new ATOM 0 HA VAL A 80 -3.359 -1.943 6.660 1.00 25.15 H new ATOM 0 HB VAL A 80 -3.810 -3.030 3.861 1.00 3.45 H new ATOM 0 HG11 VAL A 80 -1.689 -4.324 4.148 1.00 33.31 H new ATOM 0 HG12 VAL A 80 -1.411 -2.566 4.126 1.00 33.31 H new ATOM 0 HG13 VAL A 80 -1.382 -3.453 5.669 1.00 33.31 H new ATOM 0 HG21 VAL A 80 -3.793 -5.268 4.989 1.00 62.14 H new ATOM 0 HG22 VAL A 80 -3.646 -4.451 6.563 1.00 62.14 H new ATOM 0 HG23 VAL A 80 -5.111 -4.228 5.578 1.00 62.14 H new ATOM 332 N ILE A 81 -3.530 -0.093 3.906 1.00 64.42 N ATOM 333 CA ILE A 81 -2.972 1.078 3.214 1.00 54.14 C ATOM 334 C ILE A 81 -2.821 2.268 4.185 1.00 73.45 C ATOM 335 O ILE A 81 -1.779 2.923 4.229 1.00 72.02 O ATOM 336 CB ILE A 81 -3.853 1.508 1.987 1.00 3.20 C ATOM 337 CG1 ILE A 81 -4.195 0.303 1.060 1.00 53.54 C ATOM 338 CG2 ILE A 81 -3.160 2.617 1.180 1.00 31.53 C ATOM 339 CD1 ILE A 81 -3.006 -0.447 0.475 1.00 30.40 C ATOM 0 H ILE A 81 -4.390 -0.448 3.489 1.00 64.42 H new ATOM 0 HA ILE A 81 -1.989 0.788 2.842 1.00 54.14 H new ATOM 0 HB ILE A 81 -4.791 1.893 2.388 1.00 3.20 H new ATOM 0 HG12 ILE A 81 -4.803 -0.404 1.625 1.00 53.54 H new ATOM 0 HG13 ILE A 81 -4.811 0.666 0.237 1.00 53.54 H new ATOM 0 HG21 ILE A 81 -3.788 2.899 0.335 1.00 31.53 H new ATOM 0 HG22 ILE A 81 -2.999 3.486 1.819 1.00 31.53 H new ATOM 0 HG23 ILE A 81 -2.200 2.254 0.813 1.00 31.53 H new ATOM 0 HD11 ILE A 81 -3.364 -1.263 -0.152 1.00 30.40 H new ATOM 0 HD12 ILE A 81 -2.405 0.236 -0.126 1.00 30.40 H new ATOM 0 HD13 ILE A 81 -2.397 -0.851 1.284 1.00 30.40 H new ATOM 351 N GLU A 82 -3.877 2.505 4.970 1.00 11.23 N ATOM 352 CA GLU A 82 -3.937 3.618 5.936 1.00 24.53 C ATOM 353 C GLU A 82 -3.022 3.384 7.160 1.00 42.44 C ATOM 354 O GLU A 82 -2.557 4.354 7.773 1.00 33.34 O ATOM 355 CB GLU A 82 -5.404 3.832 6.374 1.00 21.33 C ATOM 356 CG GLU A 82 -6.348 4.162 5.199 1.00 33.30 C ATOM 357 CD GLU A 82 -7.811 4.355 5.618 1.00 40.05 C ATOM 358 OE1 GLU A 82 -8.137 5.419 6.193 1.00 24.23 O ATOM 359 OE2 GLU A 82 -8.659 3.467 5.351 1.00 23.35 O ATOM 0 H GLU A 82 -4.720 1.931 4.957 1.00 11.23 H new ATOM 0 HA GLU A 82 -3.566 4.517 5.444 1.00 24.53 H new ATOM 0 HB2 GLU A 82 -5.761 2.933 6.877 1.00 21.33 H new ATOM 0 HB3 GLU A 82 -5.444 4.642 7.102 1.00 21.33 H new ATOM 0 HG2 GLU A 82 -5.998 5.069 4.707 1.00 33.30 H new ATOM 0 HG3 GLU A 82 -6.293 3.359 4.464 1.00 33.30 H new ATOM 366 N GLU A 83 -2.787 2.101 7.509 1.00 34.01 N ATOM 367 CA GLU A 83 -1.825 1.711 8.560 1.00 52.01 C ATOM 368 C GLU A 83 -0.426 2.143 8.125 1.00 31.01 C ATOM 369 O GLU A 83 0.264 2.891 8.831 1.00 22.31 O ATOM 370 CB GLU A 83 -1.849 0.171 8.815 1.00 42.13 C ATOM 371 CG GLU A 83 -3.138 -0.352 9.477 1.00 21.44 C ATOM 372 CD GLU A 83 -3.178 -1.878 9.612 1.00 51.01 C ATOM 373 OE1 GLU A 83 -2.419 -2.429 10.438 1.00 71.45 O ATOM 374 OE2 GLU A 83 -3.952 -2.545 8.887 1.00 54.43 O ATOM 0 H GLU A 83 -3.258 1.309 7.071 1.00 34.01 H new ATOM 0 HA GLU A 83 -2.104 2.203 9.492 1.00 52.01 H new ATOM 0 HB2 GLU A 83 -1.711 -0.343 7.864 1.00 42.13 H new ATOM 0 HB3 GLU A 83 -1.000 -0.092 9.446 1.00 42.13 H new ATOM 0 HG2 GLU A 83 -3.237 0.095 10.466 1.00 21.44 H new ATOM 0 HG3 GLU A 83 -3.997 -0.024 8.892 1.00 21.44 H new ATOM 381 N MET A 84 -0.060 1.696 6.923 1.00 14.41 N ATOM 382 CA MET A 84 1.217 1.996 6.293 1.00 34.24 C ATOM 383 C MET A 84 1.404 3.511 6.089 1.00 42.33 C ATOM 384 O MET A 84 2.507 4.023 6.275 1.00 75.03 O ATOM 385 CB MET A 84 1.321 1.230 4.954 1.00 33.32 C ATOM 386 CG MET A 84 1.342 -0.296 5.124 1.00 2.55 C ATOM 387 SD MET A 84 1.567 -1.167 3.570 1.00 31.11 S ATOM 388 CE MET A 84 0.122 -0.701 2.622 1.00 1.20 C ATOM 0 H MET A 84 -0.660 1.102 6.351 1.00 14.41 H new ATOM 0 HA MET A 84 2.020 1.667 6.952 1.00 34.24 H new ATOM 0 HB2 MET A 84 0.478 1.506 4.320 1.00 33.32 H new ATOM 0 HB3 MET A 84 2.227 1.543 4.435 1.00 33.32 H new ATOM 0 HG2 MET A 84 2.145 -0.570 5.808 1.00 2.55 H new ATOM 0 HG3 MET A 84 0.408 -0.619 5.584 1.00 2.55 H new ATOM 0 HE1 MET A 84 0.074 -1.301 1.714 1.00 1.20 H new ATOM 0 HE2 MET A 84 -0.775 -0.872 3.218 1.00 1.20 H new ATOM 0 HE3 MET A 84 0.186 0.354 2.357 1.00 1.20 H new ATOM 398 N GLY A 85 0.293 4.215 5.785 1.00 55.34 N ATOM 399 CA GLY A 85 0.292 5.670 5.629 1.00 71.15 C ATOM 400 C GLY A 85 0.685 6.426 6.895 1.00 52.43 C ATOM 401 O GLY A 85 1.111 7.570 6.829 1.00 34.42 O ATOM 0 H GLY A 85 -0.621 3.785 5.643 1.00 55.34 H new ATOM 0 HA2 GLY A 85 0.979 5.940 4.827 1.00 71.15 H new ATOM 0 HA3 GLY A 85 -0.702 5.992 5.319 1.00 71.15 H new ATOM 405 N LYS A 86 0.547 5.774 8.047 1.00 53.21 N ATOM 406 CA LYS A 86 0.987 6.328 9.336 1.00 4.15 C ATOM 407 C LYS A 86 2.444 5.923 9.624 1.00 3.53 C ATOM 408 O LYS A 86 3.191 6.680 10.254 1.00 50.23 O ATOM 409 CB LYS A 86 0.059 5.833 10.470 1.00 43.03 C ATOM 410 CG LYS A 86 -1.414 6.257 10.300 1.00 2.34 C ATOM 411 CD LYS A 86 -2.330 5.753 11.439 1.00 3.11 C ATOM 412 CE LYS A 86 -2.342 4.216 11.575 1.00 24.25 C ATOM 413 NZ LYS A 86 -3.339 3.750 12.581 1.00 5.01 N ATOM 0 H LYS A 86 0.128 4.847 8.119 1.00 53.21 H new ATOM 0 HA LYS A 86 0.934 7.416 9.287 1.00 4.15 H new ATOM 0 HB2 LYS A 86 0.111 4.745 10.520 1.00 43.03 H new ATOM 0 HB3 LYS A 86 0.429 6.214 11.422 1.00 43.03 H new ATOM 0 HG2 LYS A 86 -1.469 7.345 10.253 1.00 2.34 H new ATOM 0 HG3 LYS A 86 -1.787 5.878 9.348 1.00 2.34 H new ATOM 0 HD2 LYS A 86 -2.002 6.192 12.381 1.00 3.11 H new ATOM 0 HD3 LYS A 86 -3.347 6.103 11.261 1.00 3.11 H new ATOM 0 HE2 LYS A 86 -2.568 3.769 10.607 1.00 24.25 H new ATOM 0 HE3 LYS A 86 -1.349 3.870 11.862 1.00 24.25 H new ATOM 0 HZ1 LYS A 86 -3.313 2.712 12.640 1.00 5.01 H new ATOM 0 HZ2 LYS A 86 -3.110 4.156 13.511 1.00 5.01 H new ATOM 0 HZ3 LYS A 86 -4.291 4.057 12.295 1.00 5.01 H new ATOM 427 N GLU A 87 2.844 4.734 9.131 1.00 44.01 N ATOM 428 CA GLU A 87 4.158 4.124 9.415 1.00 64.41 C ATOM 429 C GLU A 87 5.300 4.758 8.602 1.00 21.31 C ATOM 430 O GLU A 87 6.464 4.513 8.898 1.00 24.52 O ATOM 431 CB GLU A 87 4.089 2.600 9.153 1.00 35.04 C ATOM 432 CG GLU A 87 3.093 1.841 10.055 1.00 15.40 C ATOM 433 CD GLU A 87 3.024 0.340 9.759 1.00 43.01 C ATOM 434 OE1 GLU A 87 4.030 -0.357 10.019 1.00 65.25 O ATOM 435 OE2 GLU A 87 1.970 -0.161 9.297 1.00 64.14 O ATOM 0 H GLU A 87 2.259 4.165 8.519 1.00 44.01 H new ATOM 0 HA GLU A 87 4.385 4.312 10.464 1.00 64.41 H new ATOM 0 HB2 GLU A 87 3.815 2.435 8.111 1.00 35.04 H new ATOM 0 HB3 GLU A 87 5.083 2.175 9.292 1.00 35.04 H new ATOM 0 HG2 GLU A 87 3.376 1.985 11.098 1.00 15.40 H new ATOM 0 HG3 GLU A 87 2.100 2.274 9.932 1.00 15.40 H new ATOM 442 N ILE A 88 4.956 5.576 7.593 1.00 13.40 N ATOM 443 CA ILE A 88 5.936 6.291 6.748 1.00 12.44 C ATOM 444 C ILE A 88 6.771 7.284 7.579 1.00 32.31 C ATOM 445 O ILE A 88 7.972 7.434 7.346 1.00 4.51 O ATOM 446 CB ILE A 88 5.197 7.044 5.575 1.00 45.14 C ATOM 447 CG1 ILE A 88 4.364 6.025 4.743 1.00 22.12 C ATOM 448 CG2 ILE A 88 6.176 7.833 4.665 1.00 72.31 C ATOM 449 CD1 ILE A 88 3.456 6.635 3.703 1.00 41.42 C ATOM 0 H ILE A 88 3.987 5.763 7.337 1.00 13.40 H new ATOM 0 HA ILE A 88 6.617 5.553 6.323 1.00 12.44 H new ATOM 0 HB ILE A 88 4.530 7.781 6.021 1.00 45.14 H new ATOM 0 HG12 ILE A 88 5.050 5.339 4.246 1.00 22.12 H new ATOM 0 HG13 ILE A 88 3.759 5.430 5.427 1.00 22.12 H new ATOM 0 HG21 ILE A 88 5.616 8.332 3.874 1.00 72.31 H new ATOM 0 HG22 ILE A 88 6.706 8.577 5.260 1.00 72.31 H new ATOM 0 HG23 ILE A 88 6.895 7.144 4.221 1.00 72.31 H new ATOM 0 HD11 ILE A 88 2.920 5.844 3.178 1.00 41.42 H new ATOM 0 HD12 ILE A 88 2.740 7.298 4.189 1.00 41.42 H new ATOM 0 HD13 ILE A 88 4.051 7.205 2.989 1.00 41.42 H new ATOM 461 N ARG A 89 6.111 7.956 8.545 1.00 74.31 N ATOM 462 CA ARG A 89 6.761 8.955 9.416 1.00 55.22 C ATOM 463 C ARG A 89 7.831 8.319 10.356 1.00 34.52 C ATOM 464 O ARG A 89 8.977 8.772 10.335 1.00 63.34 O ATOM 465 CB ARG A 89 5.701 9.787 10.199 1.00 62.22 C ATOM 466 CG ARG A 89 6.289 10.800 11.209 1.00 22.23 C ATOM 467 CD ARG A 89 5.203 11.472 12.066 1.00 31.00 C ATOM 468 NE ARG A 89 4.311 10.479 12.698 1.00 15.40 N ATOM 469 CZ ARG A 89 3.002 10.655 12.946 1.00 1.35 C ATOM 470 NH1 ARG A 89 2.398 11.806 12.660 1.00 13.51 N ATOM 471 NH2 ARG A 89 2.300 9.663 13.464 1.00 61.12 N ATOM 0 H ARG A 89 5.119 7.822 8.742 1.00 74.31 H new ATOM 0 HA ARG A 89 7.305 9.645 8.771 1.00 55.22 H new ATOM 0 HB2 ARG A 89 5.082 10.327 9.483 1.00 62.22 H new ATOM 0 HB3 ARG A 89 5.044 9.101 10.734 1.00 62.22 H new ATOM 0 HG2 ARG A 89 6.998 10.289 11.861 1.00 22.23 H new ATOM 0 HG3 ARG A 89 6.847 11.565 10.669 1.00 22.23 H new ATOM 0 HD2 ARG A 89 5.674 12.081 12.838 1.00 31.00 H new ATOM 0 HD3 ARG A 89 4.614 12.146 11.444 1.00 31.00 H new ATOM 0 HE ARG A 89 4.722 9.586 12.969 1.00 15.40 H new ATOM 0 HH11 ARG A 89 2.930 12.572 12.246 1.00 13.51 H new ATOM 0 HH12 ARG A 89 1.404 11.922 12.855 1.00 13.51 H new ATOM 0 HH21 ARG A 89 2.752 8.773 13.672 1.00 61.12 H new ATOM 0 HH22 ARG A 89 1.306 9.787 13.656 1.00 61.12 H new ATOM 485 N PRO A 90 7.514 7.267 11.199 1.00 2.44 N ATOM 486 CA PRO A 90 8.550 6.572 12.012 1.00 61.04 C ATOM 487 C PRO A 90 9.659 5.917 11.156 1.00 4.34 C ATOM 488 O PRO A 90 10.828 5.992 11.529 1.00 14.43 O ATOM 489 CB PRO A 90 7.752 5.535 12.836 1.00 3.02 C ATOM 490 CG PRO A 90 6.441 5.388 12.124 1.00 30.14 C ATOM 491 CD PRO A 90 6.161 6.724 11.497 1.00 31.13 C ATOM 0 HA PRO A 90 9.100 7.270 12.643 1.00 61.04 H new ATOM 0 HB2 PRO A 90 8.280 4.583 12.888 1.00 3.02 H new ATOM 0 HB3 PRO A 90 7.607 5.875 13.861 1.00 3.02 H new ATOM 0 HG2 PRO A 90 6.493 4.605 11.368 1.00 30.14 H new ATOM 0 HG3 PRO A 90 5.649 5.109 12.818 1.00 30.14 H new ATOM 0 HD2 PRO A 90 5.562 6.623 10.592 1.00 31.13 H new ATOM 0 HD3 PRO A 90 5.609 7.376 12.174 1.00 31.13 H new ATOM 499 N THR A 91 9.287 5.286 10.020 1.00 44.13 N ATOM 500 CA THR A 91 10.257 4.731 9.045 1.00 3.22 C ATOM 501 C THR A 91 11.275 5.805 8.594 1.00 55.12 C ATOM 502 O THR A 91 12.490 5.595 8.643 1.00 20.01 O ATOM 503 CB THR A 91 9.499 4.150 7.812 1.00 63.00 C ATOM 504 OG1 THR A 91 8.714 3.024 8.234 1.00 54.54 O ATOM 505 CG2 THR A 91 10.425 3.728 6.651 1.00 55.10 C ATOM 0 H THR A 91 8.313 5.147 9.753 1.00 44.13 H new ATOM 0 HA THR A 91 10.812 3.930 9.534 1.00 3.22 H new ATOM 0 HB THR A 91 8.869 4.950 7.424 1.00 63.00 H new ATOM 0 HG1 THR A 91 7.832 3.332 8.528 1.00 54.54 H new ATOM 0 HG21 THR A 91 9.824 3.334 5.831 1.00 55.10 H new ATOM 0 HG22 THR A 91 10.990 4.593 6.304 1.00 55.10 H new ATOM 0 HG23 THR A 91 11.115 2.959 6.997 1.00 55.10 H new ATOM 513 N TYR A 92 10.740 6.963 8.192 1.00 51.01 N ATOM 514 CA TYR A 92 11.524 8.142 7.808 1.00 64.52 C ATOM 515 C TYR A 92 12.395 8.644 8.977 1.00 42.43 C ATOM 516 O TYR A 92 13.491 9.157 8.761 1.00 63.42 O ATOM 517 CB TYR A 92 10.568 9.263 7.316 1.00 63.11 C ATOM 518 CG TYR A 92 11.279 10.504 6.769 1.00 74.21 C ATOM 519 CD1 TYR A 92 12.203 10.388 5.727 1.00 22.22 C ATOM 520 CD2 TYR A 92 11.060 11.771 7.303 1.00 31.22 C ATOM 521 CE1 TYR A 92 12.862 11.483 5.232 1.00 60.55 C ATOM 522 CE2 TYR A 92 11.726 12.876 6.808 1.00 10.30 C ATOM 523 CZ TYR A 92 12.630 12.725 5.780 1.00 2.34 C ATOM 524 OH TYR A 92 13.297 13.815 5.295 1.00 34.44 O ATOM 0 H TYR A 92 9.733 7.110 8.123 1.00 51.01 H new ATOM 0 HA TYR A 92 12.198 7.861 6.998 1.00 64.52 H new ATOM 0 HB2 TYR A 92 9.921 8.857 6.538 1.00 63.11 H new ATOM 0 HB3 TYR A 92 9.923 9.563 8.142 1.00 63.11 H new ATOM 0 HD1 TYR A 92 12.402 9.415 5.303 1.00 22.22 H new ATOM 0 HD2 TYR A 92 10.359 11.892 8.116 1.00 31.22 H new ATOM 0 HE1 TYR A 92 13.560 11.372 4.416 1.00 60.55 H new ATOM 0 HE2 TYR A 92 11.538 13.854 7.226 1.00 10.30 H new ATOM 0 HH TYR A 92 13.019 14.615 5.789 1.00 34.44 H new ATOM 534 N ALA A 93 11.906 8.451 10.214 1.00 53.12 N ATOM 535 CA ALA A 93 12.586 8.902 11.447 1.00 15.53 C ATOM 536 C ALA A 93 13.655 7.893 11.942 1.00 51.50 C ATOM 537 O ALA A 93 14.176 8.036 13.052 1.00 24.11 O ATOM 538 CB ALA A 93 11.533 9.154 12.535 1.00 30.12 C ATOM 0 H ALA A 93 11.022 7.975 10.391 1.00 53.12 H new ATOM 0 HA ALA A 93 13.119 9.825 11.221 1.00 15.53 H new ATOM 0 HB1 ALA A 93 12.026 9.487 13.448 1.00 30.12 H new ATOM 0 HB2 ALA A 93 10.837 9.922 12.197 1.00 30.12 H new ATOM 0 HB3 ALA A 93 10.987 8.232 12.733 1.00 30.12 H new ATOM 544 N GLY A 94 13.968 6.881 11.113 1.00 2.12 N ATOM 545 CA GLY A 94 15.006 5.897 11.425 1.00 5.20 C ATOM 546 C GLY A 94 14.514 4.718 12.266 1.00 14.14 C ATOM 547 O GLY A 94 15.319 3.862 12.641 1.00 65.43 O ATOM 0 H GLY A 94 13.509 6.728 10.215 1.00 2.12 H new ATOM 0 HA2 GLY A 94 15.423 5.516 10.493 1.00 5.20 H new ATOM 0 HA3 GLY A 94 15.817 6.396 11.956 1.00 5.20 H new ATOM 551 N SER A 95 13.208 4.670 12.578 1.00 25.35 N ATOM 552 CA SER A 95 12.611 3.566 13.356 1.00 54.33 C ATOM 553 C SER A 95 12.526 2.275 12.505 1.00 43.24 C ATOM 554 O SER A 95 11.607 2.108 11.689 1.00 41.40 O ATOM 555 CB SER A 95 11.213 3.972 13.876 1.00 41.11 C ATOM 556 OG SER A 95 11.254 5.228 14.550 1.00 51.30 O ATOM 0 H SER A 95 12.539 5.388 12.302 1.00 25.35 H new ATOM 0 HA SER A 95 13.253 3.362 14.213 1.00 54.33 H new ATOM 0 HB2 SER A 95 10.515 4.028 13.041 1.00 41.11 H new ATOM 0 HB3 SER A 95 10.838 3.205 14.554 1.00 41.11 H new ATOM 0 HG SER A 95 10.356 5.459 14.866 1.00 51.30 H new ATOM 562 N LYS A 96 13.523 1.385 12.697 1.00 75.13 N ATOM 563 CA LYS A 96 13.675 0.126 11.936 1.00 4.21 C ATOM 564 C LYS A 96 12.508 -0.861 12.138 1.00 21.30 C ATOM 565 O LYS A 96 12.137 -1.550 11.187 1.00 0.22 O ATOM 566 CB LYS A 96 15.033 -0.543 12.287 1.00 44.21 C ATOM 567 CG LYS A 96 15.231 -0.895 13.779 1.00 53.43 C ATOM 568 CD LYS A 96 16.630 -1.485 14.081 1.00 24.03 C ATOM 569 CE LYS A 96 16.932 -2.762 13.275 1.00 14.14 C ATOM 570 NZ LYS A 96 15.950 -3.846 13.527 1.00 14.13 N ATOM 0 H LYS A 96 14.255 1.522 13.394 1.00 75.13 H new ATOM 0 HA LYS A 96 13.658 0.392 10.879 1.00 4.21 H new ATOM 0 HB2 LYS A 96 15.132 -1.456 11.699 1.00 44.21 H new ATOM 0 HB3 LYS A 96 15.838 0.124 11.978 1.00 44.21 H new ATOM 0 HG2 LYS A 96 15.083 0.002 14.381 1.00 53.43 H new ATOM 0 HG3 LYS A 96 14.467 -1.611 14.082 1.00 53.43 H new ATOM 0 HD2 LYS A 96 17.390 -0.735 13.861 1.00 24.03 H new ATOM 0 HD3 LYS A 96 16.702 -1.708 15.145 1.00 24.03 H new ATOM 0 HE2 LYS A 96 16.937 -2.522 12.212 1.00 14.14 H new ATOM 0 HE3 LYS A 96 17.931 -3.117 13.527 1.00 14.14 H new ATOM 0 HZ1 LYS A 96 16.220 -4.692 12.986 1.00 14.13 H new ATOM 0 HZ2 LYS A 96 15.937 -4.074 14.542 1.00 14.13 H new ATOM 0 HZ3 LYS A 96 15.004 -3.533 13.230 1.00 14.13 H new ATOM 584 N SER A 97 11.947 -0.935 13.361 1.00 62.22 N ATOM 585 CA SER A 97 10.809 -1.836 13.667 1.00 42.21 C ATOM 586 C SER A 97 9.580 -1.464 12.818 1.00 2.12 C ATOM 587 O SER A 97 8.958 -2.331 12.183 1.00 21.02 O ATOM 588 CB SER A 97 10.439 -1.781 15.166 1.00 0.24 C ATOM 589 OG SER A 97 11.561 -2.026 15.988 1.00 1.12 O ATOM 0 H SER A 97 12.262 -0.381 14.158 1.00 62.22 H new ATOM 0 HA SER A 97 11.120 -2.852 13.423 1.00 42.21 H new ATOM 0 HB2 SER A 97 10.021 -0.803 15.402 1.00 0.24 H new ATOM 0 HB3 SER A 97 9.664 -2.518 15.377 1.00 0.24 H new ATOM 0 HG SER A 97 11.293 -1.982 16.930 1.00 1.12 H new ATOM 595 N ALA A 98 9.264 -0.152 12.802 1.00 23.12 N ATOM 596 CA ALA A 98 8.122 0.408 12.053 1.00 41.32 C ATOM 597 C ALA A 98 8.341 0.293 10.535 1.00 25.24 C ATOM 598 O ALA A 98 7.382 0.167 9.782 1.00 34.54 O ATOM 599 CB ALA A 98 7.894 1.868 12.463 1.00 11.54 C ATOM 0 H ALA A 98 9.798 0.552 13.312 1.00 23.12 H new ATOM 0 HA ALA A 98 7.231 -0.170 12.299 1.00 41.32 H new ATOM 0 HB1 ALA A 98 7.050 2.275 11.906 1.00 11.54 H new ATOM 0 HB2 ALA A 98 7.682 1.917 13.531 1.00 11.54 H new ATOM 0 HB3 ALA A 98 8.788 2.451 12.244 1.00 11.54 H new ATOM 605 N MET A 99 9.623 0.354 10.127 1.00 43.45 N ATOM 606 CA MET A 99 10.054 0.190 8.727 1.00 42.45 C ATOM 607 C MET A 99 9.842 -1.250 8.253 1.00 40.10 C ATOM 608 O MET A 99 9.381 -1.479 7.135 1.00 72.45 O ATOM 609 CB MET A 99 11.543 0.613 8.585 1.00 10.52 C ATOM 610 CG MET A 99 12.182 0.374 7.196 1.00 71.42 C ATOM 611 SD MET A 99 12.732 -1.332 6.932 1.00 51.23 S ATOM 612 CE MET A 99 13.996 -1.512 8.195 1.00 12.21 C ATOM 0 H MET A 99 10.398 0.521 10.769 1.00 43.45 H new ATOM 0 HA MET A 99 9.445 0.834 8.093 1.00 42.45 H new ATOM 0 HB2 MET A 99 11.624 1.673 8.824 1.00 10.52 H new ATOM 0 HB3 MET A 99 12.127 0.073 9.330 1.00 10.52 H new ATOM 0 HG2 MET A 99 11.460 0.637 6.423 1.00 71.42 H new ATOM 0 HG3 MET A 99 13.034 1.044 7.078 1.00 71.42 H new ATOM 0 HE1 MET A 99 14.796 -2.150 7.820 1.00 12.21 H new ATOM 0 HE2 MET A 99 14.401 -0.532 8.447 1.00 12.21 H new ATOM 0 HE3 MET A 99 13.559 -1.963 9.086 1.00 12.21 H new ATOM 622 N GLU A 100 10.197 -2.204 9.122 1.00 52.32 N ATOM 623 CA GLU A 100 10.073 -3.641 8.848 1.00 43.02 C ATOM 624 C GLU A 100 8.587 -4.018 8.684 1.00 4.14 C ATOM 625 O GLU A 100 8.208 -4.790 7.795 1.00 12.44 O ATOM 626 CB GLU A 100 10.702 -4.449 10.008 1.00 73.33 C ATOM 627 CG GLU A 100 10.837 -5.964 9.765 1.00 74.13 C ATOM 628 CD GLU A 100 11.931 -6.331 8.747 1.00 21.34 C ATOM 629 OE1 GLU A 100 11.638 -6.415 7.527 1.00 2.44 O ATOM 630 OE2 GLU A 100 13.100 -6.545 9.157 1.00 54.13 O ATOM 0 H GLU A 100 10.582 -1.998 10.044 1.00 52.32 H new ATOM 0 HA GLU A 100 10.600 -3.877 7.923 1.00 43.02 H new ATOM 0 HB2 GLU A 100 11.692 -4.043 10.216 1.00 73.33 H new ATOM 0 HB3 GLU A 100 10.100 -4.295 10.903 1.00 73.33 H new ATOM 0 HG2 GLU A 100 11.054 -6.457 10.712 1.00 74.13 H new ATOM 0 HG3 GLU A 100 9.881 -6.354 9.415 1.00 74.13 H new ATOM 637 N ARG A 101 7.759 -3.435 9.557 1.00 62.31 N ATOM 638 CA ARG A 101 6.312 -3.658 9.564 1.00 64.45 C ATOM 639 C ARG A 101 5.688 -2.999 8.314 1.00 2.51 C ATOM 640 O ARG A 101 4.790 -3.573 7.704 1.00 52.30 O ATOM 641 CB ARG A 101 5.703 -3.119 10.894 1.00 5.23 C ATOM 642 CG ARG A 101 4.373 -3.788 11.355 1.00 33.31 C ATOM 643 CD ARG A 101 3.171 -3.523 10.431 1.00 14.42 C ATOM 644 NE ARG A 101 1.937 -4.143 10.921 1.00 1.53 N ATOM 645 CZ ARG A 101 0.702 -3.715 10.650 1.00 4.42 C ATOM 646 NH1 ARG A 101 0.487 -2.645 9.870 1.00 41.31 N ATOM 647 NH2 ARG A 101 -0.332 -4.359 11.170 1.00 31.20 N ATOM 0 H ARG A 101 8.077 -2.792 10.282 1.00 62.31 H new ATOM 0 HA ARG A 101 6.089 -4.724 9.519 1.00 64.45 H new ATOM 0 HB2 ARG A 101 6.442 -3.242 11.685 1.00 5.23 H new ATOM 0 HB3 ARG A 101 5.529 -2.049 10.784 1.00 5.23 H new ATOM 0 HG2 ARG A 101 4.529 -4.864 11.428 1.00 33.31 H new ATOM 0 HG3 ARG A 101 4.130 -3.433 12.356 1.00 33.31 H new ATOM 0 HD2 ARG A 101 3.020 -2.448 10.336 1.00 14.42 H new ATOM 0 HD3 ARG A 101 3.393 -3.903 9.434 1.00 14.42 H new ATOM 0 HE ARG A 101 2.029 -4.966 11.516 1.00 1.53 H new ATOM 0 HH11 ARG A 101 1.277 -2.139 9.469 1.00 41.31 H new ATOM 0 HH12 ARG A 101 -0.466 -2.337 9.678 1.00 41.31 H new ATOM 0 HH21 ARG A 101 -0.179 -5.170 11.769 1.00 31.20 H new ATOM 0 HH22 ARG A 101 -1.281 -4.043 10.972 1.00 31.20 H new ATOM 661 N LEU A 102 6.202 -1.806 7.949 1.00 31.31 N ATOM 662 CA LEU A 102 5.788 -1.073 6.741 1.00 55.00 C ATOM 663 C LEU A 102 6.022 -1.942 5.475 1.00 50.40 C ATOM 664 O LEU A 102 5.158 -2.019 4.594 1.00 53.01 O ATOM 665 CB LEU A 102 6.568 0.273 6.657 1.00 13.24 C ATOM 666 CG LEU A 102 6.211 1.220 5.471 1.00 20.12 C ATOM 667 CD1 LEU A 102 4.742 1.634 5.490 1.00 32.14 C ATOM 668 CD2 LEU A 102 7.118 2.462 5.441 1.00 20.31 C ATOM 0 H LEU A 102 6.920 -1.324 8.490 1.00 31.31 H new ATOM 0 HA LEU A 102 4.722 -0.852 6.796 1.00 55.00 H new ATOM 0 HB2 LEU A 102 6.406 0.818 7.587 1.00 13.24 H new ATOM 0 HB3 LEU A 102 7.633 0.046 6.602 1.00 13.24 H new ATOM 0 HG LEU A 102 6.385 0.649 4.559 1.00 20.12 H new ATOM 0 HD11 LEU A 102 4.539 2.293 4.646 1.00 32.14 H new ATOM 0 HD12 LEU A 102 4.113 0.747 5.417 1.00 32.14 H new ATOM 0 HD13 LEU A 102 4.524 2.158 6.420 1.00 32.14 H new ATOM 0 HD21 LEU A 102 6.838 3.097 4.600 1.00 20.31 H new ATOM 0 HD22 LEU A 102 7.003 3.019 6.371 1.00 20.31 H new ATOM 0 HD23 LEU A 102 8.157 2.151 5.330 1.00 20.31 H new ATOM 680 N LYS A 103 7.197 -2.612 5.429 1.00 41.34 N ATOM 681 CA LYS A 103 7.567 -3.557 4.352 1.00 2.13 C ATOM 682 C LYS A 103 6.563 -4.710 4.250 1.00 33.14 C ATOM 683 O LYS A 103 6.048 -5.004 3.169 1.00 14.44 O ATOM 684 CB LYS A 103 8.984 -4.124 4.601 1.00 54.54 C ATOM 685 CG LYS A 103 10.133 -3.097 4.488 1.00 30.23 C ATOM 686 CD LYS A 103 11.464 -3.646 5.055 1.00 24.13 C ATOM 687 CE LYS A 103 11.917 -4.942 4.378 1.00 44.13 C ATOM 688 NZ LYS A 103 13.065 -5.559 5.083 1.00 34.33 N ATOM 0 H LYS A 103 7.919 -2.511 6.143 1.00 41.34 H new ATOM 0 HA LYS A 103 7.554 -3.007 3.411 1.00 2.13 H new ATOM 0 HB2 LYS A 103 9.011 -4.567 5.597 1.00 54.54 H new ATOM 0 HB3 LYS A 103 9.166 -4.929 3.889 1.00 54.54 H new ATOM 0 HG2 LYS A 103 10.271 -2.822 3.442 1.00 30.23 H new ATOM 0 HG3 LYS A 103 9.859 -2.188 5.023 1.00 30.23 H new ATOM 0 HD2 LYS A 103 12.241 -2.891 4.937 1.00 24.13 H new ATOM 0 HD3 LYS A 103 11.351 -3.822 6.125 1.00 24.13 H new ATOM 0 HE2 LYS A 103 11.086 -5.647 4.350 1.00 44.13 H new ATOM 0 HE3 LYS A 103 12.194 -4.735 3.344 1.00 44.13 H new ATOM 0 HZ1 LYS A 103 13.450 -6.334 4.507 1.00 34.33 H new ATOM 0 HZ2 LYS A 103 13.803 -4.843 5.238 1.00 34.33 H new ATOM 0 HZ3 LYS A 103 12.749 -5.933 6.000 1.00 34.33 H new ATOM 702 N ARG A 104 6.293 -5.358 5.394 1.00 2.12 N ATOM 703 CA ARG A 104 5.386 -6.514 5.442 1.00 2.14 C ATOM 704 C ARG A 104 3.939 -6.082 5.149 1.00 65.30 C ATOM 705 O ARG A 104 3.134 -6.885 4.667 1.00 41.43 O ATOM 706 CB ARG A 104 5.470 -7.234 6.806 1.00 11.13 C ATOM 707 CG ARG A 104 4.732 -8.589 6.820 1.00 64.33 C ATOM 708 CD ARG A 104 4.650 -9.226 8.214 1.00 41.52 C ATOM 709 NE ARG A 104 3.849 -10.464 8.200 1.00 31.23 N ATOM 710 CZ ARG A 104 3.098 -10.927 9.215 1.00 22.35 C ATOM 711 NH1 ARG A 104 3.026 -10.262 10.368 1.00 21.41 N ATOM 712 NH2 ARG A 104 2.416 -12.052 9.064 1.00 14.42 N ATOM 0 H ARG A 104 6.690 -5.101 6.298 1.00 2.12 H new ATOM 0 HA ARG A 104 5.701 -7.217 4.670 1.00 2.14 H new ATOM 0 HB2 ARG A 104 6.517 -7.395 7.062 1.00 11.13 H new ATOM 0 HB3 ARG A 104 5.049 -6.589 7.577 1.00 11.13 H new ATOM 0 HG2 ARG A 104 3.723 -8.448 6.433 1.00 64.33 H new ATOM 0 HG3 ARG A 104 5.239 -9.277 6.144 1.00 64.33 H new ATOM 0 HD2 ARG A 104 5.655 -9.447 8.573 1.00 41.52 H new ATOM 0 HD3 ARG A 104 4.210 -8.515 8.914 1.00 41.52 H new ATOM 0 HE ARG A 104 3.866 -11.019 7.344 1.00 31.23 H new ATOM 0 HH11 ARG A 104 3.544 -9.392 10.488 1.00 21.41 H new ATOM 0 HH12 ARG A 104 2.453 -10.624 11.130 1.00 21.41 H new ATOM 0 HH21 ARG A 104 2.462 -12.562 8.182 1.00 14.42 H new ATOM 0 HH22 ARG A 104 1.845 -12.409 9.830 1.00 14.42 H new ATOM 726 N GLY A 105 3.636 -4.808 5.442 1.00 24.43 N ATOM 727 CA GLY A 105 2.356 -4.207 5.093 1.00 24.23 C ATOM 728 C GLY A 105 2.146 -4.184 3.587 1.00 62.12 C ATOM 729 O GLY A 105 1.040 -4.405 3.121 1.00 71.04 O ATOM 0 H GLY A 105 4.273 -4.175 5.925 1.00 24.43 H new ATOM 0 HA2 GLY A 105 1.549 -4.766 5.566 1.00 24.23 H new ATOM 0 HA3 GLY A 105 2.311 -3.190 5.484 1.00 24.23 H new ATOM 733 N ILE A 106 3.243 -3.911 2.839 1.00 42.31 N ATOM 734 CA ILE A 106 3.250 -3.997 1.365 1.00 61.42 C ATOM 735 C ILE A 106 3.040 -5.462 0.908 1.00 72.35 C ATOM 736 O ILE A 106 2.237 -5.712 0.023 1.00 2.12 O ATOM 737 CB ILE A 106 4.570 -3.363 0.728 1.00 72.04 C ATOM 738 CG1 ILE A 106 4.413 -1.823 0.479 1.00 2.10 C ATOM 739 CG2 ILE A 106 5.016 -4.071 -0.589 1.00 22.53 C ATOM 740 CD1 ILE A 106 4.177 -0.969 1.704 1.00 54.35 C ATOM 0 H ILE A 106 4.138 -3.628 3.239 1.00 42.31 H new ATOM 0 HA ILE A 106 2.416 -3.401 0.995 1.00 61.42 H new ATOM 0 HB ILE A 106 5.355 -3.524 1.467 1.00 72.04 H new ATOM 0 HG12 ILE A 106 5.312 -1.463 -0.021 1.00 2.10 H new ATOM 0 HG13 ILE A 106 3.582 -1.670 -0.210 1.00 2.10 H new ATOM 0 HG21 ILE A 106 5.918 -3.593 -0.971 1.00 22.53 H new ATOM 0 HG22 ILE A 106 5.220 -5.122 -0.386 1.00 22.53 H new ATOM 0 HG23 ILE A 106 4.222 -3.993 -1.331 1.00 22.53 H new ATOM 0 HD11 ILE A 106 4.085 0.076 1.407 1.00 54.35 H new ATOM 0 HD12 ILE A 106 3.260 -1.288 2.199 1.00 54.35 H new ATOM 0 HD13 ILE A 106 5.016 -1.078 2.391 1.00 54.35 H new ATOM 752 N ILE A 107 3.743 -6.419 1.535 1.00 1.22 N ATOM 753 CA ILE A 107 3.628 -7.853 1.182 1.00 73.53 C ATOM 754 C ILE A 107 2.181 -8.345 1.412 1.00 54.43 C ATOM 755 O ILE A 107 1.632 -9.114 0.601 1.00 54.33 O ATOM 756 CB ILE A 107 4.695 -8.735 1.971 1.00 50.14 C ATOM 757 CG1 ILE A 107 6.082 -8.729 1.243 1.00 24.10 C ATOM 758 CG2 ILE A 107 4.221 -10.198 2.216 1.00 62.11 C ATOM 759 CD1 ILE A 107 6.713 -7.356 1.038 1.00 1.51 C ATOM 0 H ILE A 107 4.400 -6.230 2.292 1.00 1.22 H new ATOM 0 HA ILE A 107 3.855 -7.969 0.122 1.00 73.53 H new ATOM 0 HB ILE A 107 4.803 -8.269 2.950 1.00 50.14 H new ATOM 0 HG12 ILE A 107 6.775 -9.346 1.815 1.00 24.10 H new ATOM 0 HG13 ILE A 107 5.963 -9.203 0.269 1.00 24.10 H new ATOM 0 HG21 ILE A 107 4.993 -10.745 2.757 1.00 62.11 H new ATOM 0 HG22 ILE A 107 3.303 -10.189 2.803 1.00 62.11 H new ATOM 0 HG23 ILE A 107 4.035 -10.685 1.259 1.00 62.11 H new ATOM 0 HD11 ILE A 107 7.669 -7.468 0.526 1.00 1.51 H new ATOM 0 HD12 ILE A 107 6.049 -6.736 0.436 1.00 1.51 H new ATOM 0 HD13 ILE A 107 6.873 -6.881 2.006 1.00 1.51 H new ATOM 771 N HIS A 108 1.561 -7.850 2.485 1.00 54.33 N ATOM 772 CA HIS A 108 0.191 -8.204 2.849 1.00 64.40 C ATOM 773 C HIS A 108 -0.804 -7.540 1.882 1.00 43.33 C ATOM 774 O HIS A 108 -1.674 -8.214 1.333 1.00 21.23 O ATOM 775 CB HIS A 108 -0.100 -7.805 4.315 1.00 11.42 C ATOM 776 CG HIS A 108 -1.460 -8.217 4.808 1.00 35.13 C ATOM 777 ND1 HIS A 108 -2.091 -7.599 5.859 1.00 52.11 N ATOM 778 CD2 HIS A 108 -2.308 -9.191 4.388 1.00 13.30 C ATOM 779 CE1 HIS A 108 -3.263 -8.160 6.054 1.00 2.44 C ATOM 780 NE2 HIS A 108 -3.420 -9.127 5.176 1.00 44.22 N ATOM 0 H HIS A 108 1.998 -7.190 3.128 1.00 54.33 H new ATOM 0 HA HIS A 108 0.072 -9.284 2.768 1.00 64.40 H new ATOM 0 HB2 HIS A 108 0.658 -8.252 4.959 1.00 11.42 H new ATOM 0 HB3 HIS A 108 -0.003 -6.724 4.411 1.00 11.42 H new ATOM 0 HD2 HIS A 108 -2.134 -9.887 3.580 1.00 13.30 H new ATOM 0 HE1 HIS A 108 -3.979 -7.874 6.810 1.00 2.44 H new ATOM 0 HE2 HIS A 108 -4.239 -9.730 5.097 1.00 44.22 H new ATOM 789 N ALA A 109 -0.646 -6.221 1.678 1.00 32.44 N ATOM 790 CA ALA A 109 -1.547 -5.418 0.828 1.00 14.24 C ATOM 791 C ALA A 109 -1.537 -5.920 -0.626 1.00 22.12 C ATOM 792 O ALA A 109 -2.583 -6.031 -1.260 1.00 2.24 O ATOM 793 CB ALA A 109 -1.159 -3.939 0.881 1.00 64.31 C ATOM 0 H ALA A 109 0.110 -5.680 2.097 1.00 32.44 H new ATOM 0 HA ALA A 109 -2.559 -5.530 1.217 1.00 14.24 H new ATOM 0 HB1 ALA A 109 -1.834 -3.363 0.248 1.00 64.31 H new ATOM 0 HB2 ALA A 109 -1.230 -3.581 1.908 1.00 64.31 H new ATOM 0 HB3 ALA A 109 -0.136 -3.818 0.524 1.00 64.31 H new ATOM 799 N ARG A 110 -0.338 -6.277 -1.102 1.00 64.32 N ATOM 800 CA ARG A 110 -0.104 -6.763 -2.477 1.00 34.45 C ATOM 801 C ARG A 110 -0.767 -8.132 -2.659 1.00 74.03 C ATOM 802 O ARG A 110 -1.264 -8.451 -3.736 1.00 3.21 O ATOM 803 CB ARG A 110 1.434 -6.842 -2.735 1.00 2.21 C ATOM 804 CG ARG A 110 1.883 -6.923 -4.217 1.00 31.52 C ATOM 805 CD ARG A 110 1.871 -8.337 -4.826 1.00 35.43 C ATOM 806 NE ARG A 110 2.287 -8.298 -6.230 1.00 33.52 N ATOM 807 CZ ARG A 110 2.333 -9.339 -7.067 1.00 40.12 C ATOM 808 NH1 ARG A 110 1.977 -10.566 -6.664 1.00 53.42 N ATOM 809 NH2 ARG A 110 2.752 -9.124 -8.304 1.00 72.12 N ATOM 0 H ARG A 110 0.512 -6.238 -0.539 1.00 64.32 H new ATOM 0 HA ARG A 110 -0.544 -6.076 -3.200 1.00 34.45 H new ATOM 0 HB2 ARG A 110 1.901 -5.966 -2.284 1.00 2.21 H new ATOM 0 HB3 ARG A 110 1.823 -7.716 -2.212 1.00 2.21 H new ATOM 0 HG2 ARG A 110 1.233 -6.282 -4.813 1.00 31.52 H new ATOM 0 HG3 ARG A 110 2.892 -6.518 -4.298 1.00 31.52 H new ATOM 0 HD2 ARG A 110 2.539 -8.988 -4.261 1.00 35.43 H new ATOM 0 HD3 ARG A 110 0.871 -8.763 -4.749 1.00 35.43 H new ATOM 0 HE ARG A 110 2.568 -7.392 -6.604 1.00 33.52 H new ATOM 0 HH11 ARG A 110 1.665 -10.717 -5.705 1.00 53.42 H new ATOM 0 HH12 ARG A 110 2.018 -11.349 -7.316 1.00 53.42 H new ATOM 0 HH21 ARG A 110 3.028 -8.186 -8.593 1.00 72.12 H new ATOM 0 HH22 ARG A 110 2.799 -9.897 -8.968 1.00 72.12 H new ATOM 823 N ALA A 111 -0.770 -8.916 -1.571 1.00 22.22 N ATOM 824 CA ALA A 111 -1.358 -10.255 -1.538 1.00 42.23 C ATOM 825 C ALA A 111 -2.899 -10.172 -1.513 1.00 2.32 C ATOM 826 O ALA A 111 -3.581 -11.022 -2.085 1.00 52.23 O ATOM 827 CB ALA A 111 -0.812 -11.020 -0.329 1.00 15.21 C ATOM 0 H ALA A 111 -0.359 -8.631 -0.682 1.00 22.22 H new ATOM 0 HA ALA A 111 -1.081 -10.797 -2.442 1.00 42.23 H new ATOM 0 HB1 ALA A 111 -1.249 -12.018 -0.302 1.00 15.21 H new ATOM 0 HB2 ALA A 111 0.272 -11.100 -0.409 1.00 15.21 H new ATOM 0 HB3 ALA A 111 -1.070 -10.487 0.586 1.00 15.21 H new ATOM 833 N LEU A 112 -3.423 -9.121 -0.849 1.00 33.13 N ATOM 834 CA LEU A 112 -4.873 -8.831 -0.786 1.00 23.13 C ATOM 835 C LEU A 112 -5.402 -8.383 -2.160 1.00 23.12 C ATOM 836 O LEU A 112 -6.537 -8.684 -2.519 1.00 33.11 O ATOM 837 CB LEU A 112 -5.155 -7.754 0.289 1.00 45.35 C ATOM 838 CG LEU A 112 -4.849 -8.179 1.755 1.00 22.21 C ATOM 839 CD1 LEU A 112 -4.912 -6.977 2.720 1.00 24.43 C ATOM 840 CD2 LEU A 112 -5.790 -9.316 2.201 1.00 43.13 C ATOM 0 H LEU A 112 -2.852 -8.447 -0.340 1.00 33.13 H new ATOM 0 HA LEU A 112 -5.397 -9.745 -0.508 1.00 23.13 H new ATOM 0 HB2 LEU A 112 -4.565 -6.868 0.055 1.00 45.35 H new ATOM 0 HB3 LEU A 112 -6.204 -7.465 0.224 1.00 45.35 H new ATOM 0 HG LEU A 112 -3.828 -8.558 1.787 1.00 22.21 H new ATOM 0 HD11 LEU A 112 -4.693 -7.312 3.734 1.00 24.43 H new ATOM 0 HD12 LEU A 112 -4.178 -6.230 2.419 1.00 24.43 H new ATOM 0 HD13 LEU A 112 -5.909 -6.539 2.690 1.00 24.43 H new ATOM 0 HD21 LEU A 112 -5.559 -9.598 3.228 1.00 43.13 H new ATOM 0 HD22 LEU A 112 -6.824 -8.977 2.142 1.00 43.13 H new ATOM 0 HD23 LEU A 112 -5.653 -10.179 1.549 1.00 43.13 H new ATOM 852 N VAL A 113 -4.560 -7.658 -2.914 1.00 51.13 N ATOM 853 CA VAL A 113 -4.855 -7.295 -4.308 1.00 42.21 C ATOM 854 C VAL A 113 -4.757 -8.555 -5.201 1.00 74.53 C ATOM 855 O VAL A 113 -5.583 -8.758 -6.091 1.00 73.52 O ATOM 856 CB VAL A 113 -3.881 -6.176 -4.836 1.00 51.44 C ATOM 857 CG1 VAL A 113 -4.220 -5.753 -6.289 1.00 24.25 C ATOM 858 CG2 VAL A 113 -3.874 -4.947 -3.896 1.00 21.22 C ATOM 0 H VAL A 113 -3.662 -7.310 -2.577 1.00 51.13 H new ATOM 0 HA VAL A 113 -5.867 -6.893 -4.349 1.00 42.21 H new ATOM 0 HB VAL A 113 -2.879 -6.605 -4.843 1.00 51.44 H new ATOM 0 HG11 VAL A 113 -3.524 -4.979 -6.614 1.00 24.25 H new ATOM 0 HG12 VAL A 113 -4.136 -6.617 -6.948 1.00 24.25 H new ATOM 0 HG13 VAL A 113 -5.238 -5.365 -6.327 1.00 24.25 H new ATOM 0 HG21 VAL A 113 -3.192 -4.193 -4.288 1.00 21.22 H new ATOM 0 HG22 VAL A 113 -4.879 -4.530 -3.834 1.00 21.22 H new ATOM 0 HG23 VAL A 113 -3.546 -5.251 -2.902 1.00 21.22 H new ATOM 868 N ARG A 114 -3.762 -9.411 -4.895 1.00 64.30 N ATOM 869 CA ARG A 114 -3.436 -10.621 -5.681 1.00 15.02 C ATOM 870 C ARG A 114 -4.595 -11.639 -5.676 1.00 3.12 C ATOM 871 O ARG A 114 -4.909 -12.223 -6.722 1.00 4.14 O ATOM 872 CB ARG A 114 -2.112 -11.247 -5.140 1.00 41.44 C ATOM 873 CG ARG A 114 -1.652 -12.584 -5.796 1.00 42.43 C ATOM 874 CD ARG A 114 -2.185 -13.850 -5.080 1.00 21.24 C ATOM 875 NE ARG A 114 -1.925 -15.069 -5.865 1.00 5.24 N ATOM 876 CZ ARG A 114 -2.753 -15.588 -6.789 1.00 62.41 C ATOM 877 NH1 ARG A 114 -3.921 -15.000 -7.070 1.00 54.12 N ATOM 878 NH2 ARG A 114 -2.397 -16.682 -7.453 1.00 14.53 N ATOM 0 H ARG A 114 -3.154 -9.281 -4.086 1.00 64.30 H new ATOM 0 HA ARG A 114 -3.290 -10.334 -6.722 1.00 15.02 H new ATOM 0 HB2 ARG A 114 -1.314 -10.515 -5.263 1.00 41.44 H new ATOM 0 HB3 ARG A 114 -2.227 -11.415 -4.069 1.00 41.44 H new ATOM 0 HG2 ARG A 114 -1.982 -12.600 -6.835 1.00 42.43 H new ATOM 0 HG3 ARG A 114 -0.563 -12.616 -5.807 1.00 42.43 H new ATOM 0 HD2 ARG A 114 -1.714 -13.940 -4.101 1.00 21.24 H new ATOM 0 HD3 ARG A 114 -3.257 -13.748 -4.910 1.00 21.24 H new ATOM 0 HE ARG A 114 -1.047 -15.559 -5.694 1.00 5.24 H new ATOM 0 HH11 ARG A 114 -4.193 -14.147 -6.581 1.00 54.12 H new ATOM 0 HH12 ARG A 114 -4.539 -15.404 -7.773 1.00 54.12 H new ATOM 0 HH21 ARG A 114 -1.499 -17.125 -7.261 1.00 14.53 H new ATOM 0 HH22 ARG A 114 -3.022 -17.079 -8.155 1.00 14.53 H new ATOM 1319 N THR B 75 -4.574 -4.222 -11.785 1.00 55.24 N ATOM 1320 CA THR B 75 -3.140 -4.562 -11.730 1.00 60.13 C ATOM 1321 C THR B 75 -2.280 -3.292 -11.506 1.00 33.41 C ATOM 1322 O THR B 75 -1.143 -3.386 -11.045 1.00 1.14 O ATOM 1323 CB THR B 75 -2.699 -5.328 -13.023 1.00 13.33 C ATOM 1324 OG1 THR B 75 -3.524 -6.496 -13.189 1.00 13.24 O ATOM 1325 CG2 THR B 75 -1.221 -5.786 -12.988 1.00 0.41 C ATOM 0 HA THR B 75 -2.979 -5.225 -10.880 1.00 60.13 H new ATOM 0 HB THR B 75 -2.812 -4.629 -13.852 1.00 13.33 H new ATOM 0 HG1 THR B 75 -4.416 -6.321 -12.824 1.00 13.24 H new ATOM 0 HG21 THR B 75 -0.980 -6.310 -13.913 1.00 0.41 H new ATOM 0 HG22 THR B 75 -0.573 -4.916 -12.885 1.00 0.41 H new ATOM 0 HG23 THR B 75 -1.067 -6.455 -12.141 1.00 0.41 H new ATOM 1333 N ASP B 76 -2.854 -2.091 -11.802 1.00 15.53 N ATOM 1334 CA ASP B 76 -2.218 -0.800 -11.455 1.00 21.55 C ATOM 1335 C ASP B 76 -2.018 -0.731 -9.934 1.00 30.21 C ATOM 1336 O ASP B 76 -0.933 -0.403 -9.472 1.00 64.11 O ATOM 1337 CB ASP B 76 -3.057 0.411 -11.946 1.00 62.31 C ATOM 1338 CG ASP B 76 -2.385 1.779 -11.666 1.00 45.13 C ATOM 1339 OD1 ASP B 76 -1.529 2.208 -12.471 1.00 3.04 O ATOM 1340 OD2 ASP B 76 -2.706 2.431 -10.648 1.00 73.35 O ATOM 0 H ASP B 76 -3.751 -1.997 -12.278 1.00 15.53 H new ATOM 0 HA ASP B 76 -1.254 -0.746 -11.960 1.00 21.55 H new ATOM 0 HB2 ASP B 76 -3.231 0.313 -13.018 1.00 62.31 H new ATOM 0 HB3 ASP B 76 -4.033 0.388 -11.461 1.00 62.31 H new ATOM 1345 N LEU B 77 -3.072 -1.102 -9.174 1.00 53.41 N ATOM 1346 CA LEU B 77 -3.034 -1.141 -7.697 1.00 40.21 C ATOM 1347 C LEU B 77 -1.966 -2.130 -7.206 1.00 21.35 C ATOM 1348 O LEU B 77 -1.203 -1.813 -6.294 1.00 32.13 O ATOM 1349 CB LEU B 77 -4.432 -1.496 -7.111 1.00 40.03 C ATOM 1350 CG LEU B 77 -4.515 -1.660 -5.555 1.00 52.13 C ATOM 1351 CD1 LEU B 77 -3.966 -0.429 -4.801 1.00 41.23 C ATOM 1352 CD2 LEU B 77 -5.958 -1.987 -5.111 1.00 11.23 C ATOM 0 H LEU B 77 -3.971 -1.382 -9.567 1.00 53.41 H new ATOM 0 HA LEU B 77 -2.765 -0.147 -7.340 1.00 40.21 H new ATOM 0 HB2 LEU B 77 -5.135 -0.719 -7.410 1.00 40.03 H new ATOM 0 HB3 LEU B 77 -4.769 -2.425 -7.571 1.00 40.03 H new ATOM 0 HG LEU B 77 -3.874 -2.501 -5.290 1.00 52.13 H new ATOM 0 HD11 LEU B 77 -4.047 -0.594 -3.727 1.00 41.23 H new ATOM 0 HD12 LEU B 77 -2.920 -0.276 -5.067 1.00 41.23 H new ATOM 0 HD13 LEU B 77 -4.543 0.454 -5.077 1.00 41.23 H new ATOM 0 HD21 LEU B 77 -5.989 -2.096 -4.027 1.00 11.23 H new ATOM 0 HD22 LEU B 77 -6.624 -1.179 -5.414 1.00 11.23 H new ATOM 0 HD23 LEU B 77 -6.281 -2.917 -5.579 1.00 11.23 H new ATOM 1364 N LEU B 78 -1.927 -3.311 -7.843 1.00 53.04 N ATOM 1365 CA LEU B 78 -0.939 -4.370 -7.549 1.00 60.30 C ATOM 1366 C LEU B 78 0.503 -3.805 -7.665 1.00 73.14 C ATOM 1367 O LEU B 78 1.347 -4.027 -6.787 1.00 31.24 O ATOM 1368 CB LEU B 78 -1.162 -5.557 -8.529 1.00 32.21 C ATOM 1369 CG LEU B 78 -0.431 -6.893 -8.187 1.00 41.10 C ATOM 1370 CD1 LEU B 78 -1.019 -7.547 -6.920 1.00 40.10 C ATOM 1371 CD2 LEU B 78 -0.453 -7.870 -9.388 1.00 51.42 C ATOM 0 H LEU B 78 -2.583 -3.563 -8.582 1.00 53.04 H new ATOM 0 HA LEU B 78 -1.071 -4.728 -6.528 1.00 60.30 H new ATOM 0 HB2 LEU B 78 -2.232 -5.758 -8.582 1.00 32.21 H new ATOM 0 HB3 LEU B 78 -0.847 -5.241 -9.524 1.00 32.21 H new ATOM 0 HG LEU B 78 0.611 -6.653 -7.978 1.00 41.10 H new ATOM 0 HD11 LEU B 78 -0.488 -8.475 -6.710 1.00 40.10 H new ATOM 0 HD12 LEU B 78 -0.910 -6.867 -6.075 1.00 40.10 H new ATOM 0 HD13 LEU B 78 -2.076 -7.762 -7.078 1.00 40.10 H new ATOM 0 HD21 LEU B 78 0.064 -8.791 -9.118 1.00 51.42 H new ATOM 0 HD22 LEU B 78 -1.486 -8.098 -9.653 1.00 51.42 H new ATOM 0 HD23 LEU B 78 0.047 -7.410 -10.240 1.00 51.42 H new ATOM 1383 N SER B 79 0.727 -3.027 -8.744 1.00 55.32 N ATOM 1384 CA SER B 79 2.010 -2.374 -9.043 1.00 42.00 C ATOM 1385 C SER B 79 2.317 -1.260 -8.023 1.00 42.44 C ATOM 1386 O SER B 79 3.467 -1.119 -7.594 1.00 60.31 O ATOM 1387 CB SER B 79 1.971 -1.778 -10.471 1.00 21.52 C ATOM 1388 OG SER B 79 1.643 -2.764 -11.450 1.00 45.00 O ATOM 0 H SER B 79 0.007 -2.834 -9.441 1.00 55.32 H new ATOM 0 HA SER B 79 2.799 -3.123 -8.978 1.00 42.00 H new ATOM 0 HB2 SER B 79 1.238 -0.972 -10.508 1.00 21.52 H new ATOM 0 HB3 SER B 79 2.940 -1.339 -10.708 1.00 21.52 H new ATOM 0 HG SER B 79 0.701 -3.016 -11.357 1.00 45.00 H new ATOM 1394 N VAL B 80 1.270 -0.487 -7.641 1.00 22.34 N ATOM 1395 CA VAL B 80 1.390 0.644 -6.704 1.00 5.32 C ATOM 1396 C VAL B 80 1.948 0.155 -5.369 1.00 4.14 C ATOM 1397 O VAL B 80 2.905 0.732 -4.857 1.00 62.50 O ATOM 1398 CB VAL B 80 0.008 1.389 -6.499 1.00 22.03 C ATOM 1399 CG1 VAL B 80 0.021 2.351 -5.281 1.00 32.35 C ATOM 1400 CG2 VAL B 80 -0.392 2.160 -7.779 1.00 34.22 C ATOM 0 H VAL B 80 0.319 -0.636 -7.978 1.00 22.34 H new ATOM 0 HA VAL B 80 2.081 1.368 -7.135 1.00 5.32 H new ATOM 0 HB VAL B 80 -0.734 0.617 -6.294 1.00 22.03 H new ATOM 0 HG11 VAL B 80 -0.952 2.834 -5.189 1.00 32.35 H new ATOM 0 HG12 VAL B 80 0.233 1.786 -4.373 1.00 32.35 H new ATOM 0 HG13 VAL B 80 0.791 3.109 -5.425 1.00 32.35 H new ATOM 0 HG21 VAL B 80 -1.344 2.665 -7.617 1.00 34.22 H new ATOM 0 HG22 VAL B 80 0.375 2.898 -8.014 1.00 34.22 H new ATOM 0 HG23 VAL B 80 -0.489 1.461 -8.610 1.00 34.22 H new ATOM 1410 N ILE B 81 1.364 -0.938 -4.842 1.00 22.50 N ATOM 1411 CA ILE B 81 1.785 -1.514 -3.557 1.00 43.12 C ATOM 1412 C ILE B 81 3.288 -1.869 -3.574 1.00 51.04 C ATOM 1413 O ILE B 81 4.032 -1.530 -2.648 1.00 63.41 O ATOM 1414 CB ILE B 81 0.954 -2.789 -3.161 1.00 71.31 C ATOM 1415 CG1 ILE B 81 -0.586 -2.558 -3.281 1.00 73.53 C ATOM 1416 CG2 ILE B 81 1.309 -3.241 -1.734 1.00 61.50 C ATOM 1417 CD1 ILE B 81 -1.157 -1.434 -2.430 1.00 43.22 C ATOM 0 H ILE B 81 0.597 -1.439 -5.291 1.00 22.50 H new ATOM 0 HA ILE B 81 1.598 -0.746 -2.807 1.00 43.12 H new ATOM 0 HB ILE B 81 1.222 -3.574 -3.868 1.00 71.31 H new ATOM 0 HG12 ILE B 81 -0.823 -2.354 -4.325 1.00 73.53 H new ATOM 0 HG13 ILE B 81 -1.095 -3.484 -3.014 1.00 73.53 H new ATOM 0 HG21 ILE B 81 0.725 -4.124 -1.476 1.00 61.50 H new ATOM 0 HG22 ILE B 81 2.371 -3.480 -1.682 1.00 61.50 H new ATOM 0 HG23 ILE B 81 1.083 -2.439 -1.031 1.00 61.50 H new ATOM 0 HD11 ILE B 81 -2.232 -1.365 -2.593 1.00 43.22 H new ATOM 0 HD12 ILE B 81 -0.962 -1.640 -1.377 1.00 43.22 H new ATOM 0 HD13 ILE B 81 -0.686 -0.491 -2.709 1.00 43.22 H new ATOM 1429 N GLU B 82 3.716 -2.518 -4.663 1.00 0.11 N ATOM 1430 CA GLU B 82 5.111 -2.951 -4.860 1.00 14.11 C ATOM 1431 C GLU B 82 6.073 -1.743 -4.928 1.00 14.24 C ATOM 1432 O GLU B 82 7.167 -1.787 -4.357 1.00 43.22 O ATOM 1433 CB GLU B 82 5.200 -3.812 -6.146 1.00 30.20 C ATOM 1434 CG GLU B 82 4.356 -5.102 -6.084 1.00 32.23 C ATOM 1435 CD GLU B 82 4.361 -5.921 -7.385 1.00 14.21 C ATOM 1436 OE1 GLU B 82 5.410 -6.509 -7.715 1.00 11.33 O ATOM 1437 OE2 GLU B 82 3.314 -5.997 -8.074 1.00 72.14 O ATOM 0 H GLU B 82 3.102 -2.761 -5.440 1.00 0.11 H new ATOM 0 HA GLU B 82 5.419 -3.552 -4.005 1.00 14.11 H new ATOM 0 HB2 GLU B 82 4.873 -3.214 -6.997 1.00 30.20 H new ATOM 0 HB3 GLU B 82 6.242 -4.077 -6.324 1.00 30.20 H new ATOM 0 HG2 GLU B 82 4.728 -5.728 -5.273 1.00 32.23 H new ATOM 0 HG3 GLU B 82 3.327 -4.838 -5.838 1.00 32.23 H new ATOM 1444 N GLU B 83 5.645 -0.666 -5.615 1.00 73.22 N ATOM 1445 CA GLU B 83 6.438 0.576 -5.737 1.00 10.42 C ATOM 1446 C GLU B 83 6.616 1.261 -4.374 1.00 33.34 C ATOM 1447 O GLU B 83 7.698 1.772 -4.080 1.00 21.43 O ATOM 1448 CB GLU B 83 5.800 1.554 -6.755 1.00 12.22 C ATOM 1449 CG GLU B 83 5.870 1.080 -8.222 1.00 21.32 C ATOM 1450 CD GLU B 83 7.305 0.832 -8.722 1.00 33.42 C ATOM 1451 OE1 GLU B 83 8.126 1.784 -8.720 1.00 41.45 O ATOM 1452 OE2 GLU B 83 7.622 -0.305 -9.146 1.00 33.44 O ATOM 0 H GLU B 83 4.747 -0.630 -6.098 1.00 73.22 H new ATOM 0 HA GLU B 83 7.424 0.295 -6.108 1.00 10.42 H new ATOM 0 HB2 GLU B 83 4.755 1.710 -6.485 1.00 12.22 H new ATOM 0 HB3 GLU B 83 6.298 2.520 -6.674 1.00 12.22 H new ATOM 0 HG2 GLU B 83 5.294 0.160 -8.326 1.00 21.32 H new ATOM 0 HG3 GLU B 83 5.396 1.827 -8.859 1.00 21.32 H new ATOM 1459 N MET B 84 5.545 1.250 -3.548 1.00 22.22 N ATOM 1460 CA MET B 84 5.602 1.751 -2.164 1.00 34.43 C ATOM 1461 C MET B 84 6.692 0.992 -1.387 1.00 5.24 C ATOM 1462 O MET B 84 7.502 1.605 -0.690 1.00 41.32 O ATOM 1463 CB MET B 84 4.239 1.611 -1.441 1.00 23.53 C ATOM 1464 CG MET B 84 3.065 2.313 -2.131 1.00 73.12 C ATOM 1465 SD MET B 84 1.577 2.404 -1.108 1.00 40.52 S ATOM 1466 CE MET B 84 1.330 0.718 -0.553 1.00 41.43 C ATOM 0 H MET B 84 4.628 0.897 -3.822 1.00 22.22 H new ATOM 0 HA MET B 84 5.844 2.813 -2.201 1.00 34.43 H new ATOM 0 HB2 MET B 84 4.003 0.551 -1.344 1.00 23.53 H new ATOM 0 HB3 MET B 84 4.338 2.009 -0.431 1.00 23.53 H new ATOM 0 HG2 MET B 84 3.368 3.323 -2.408 1.00 73.12 H new ATOM 0 HG3 MET B 84 2.829 1.786 -3.055 1.00 73.12 H new ATOM 0 HE1 MET B 84 0.319 0.397 -0.804 1.00 41.43 H new ATOM 0 HE2 MET B 84 2.051 0.064 -1.044 1.00 41.43 H new ATOM 0 HE3 MET B 84 1.470 0.666 0.527 1.00 41.43 H new ATOM 1476 N GLY B 85 6.734 -0.344 -1.592 1.00 63.22 N ATOM 1477 CA GLY B 85 7.746 -1.215 -0.981 1.00 21.43 C ATOM 1478 C GLY B 85 9.181 -0.845 -1.350 1.00 25.02 C ATOM 1479 O GLY B 85 10.109 -1.025 -0.551 1.00 32.24 O ATOM 0 H GLY B 85 6.068 -0.840 -2.184 1.00 63.22 H new ATOM 0 HA2 GLY B 85 7.638 -1.177 0.103 1.00 21.43 H new ATOM 0 HA3 GLY B 85 7.557 -2.245 -1.284 1.00 21.43 H new ATOM 1483 N LYS B 86 9.333 -0.276 -2.549 1.00 73.22 N ATOM 1484 CA LYS B 86 10.633 0.134 -3.103 1.00 32.33 C ATOM 1485 C LYS B 86 11.007 1.534 -2.583 1.00 24.35 C ATOM 1486 O LYS B 86 12.186 1.858 -2.471 1.00 73.43 O ATOM 1487 CB LYS B 86 10.548 0.112 -4.653 1.00 14.50 C ATOM 1488 CG LYS B 86 10.266 -1.293 -5.250 1.00 43.51 C ATOM 1489 CD LYS B 86 9.886 -1.253 -6.750 1.00 11.41 C ATOM 1490 CE LYS B 86 10.970 -0.628 -7.634 1.00 21.25 C ATOM 1491 NZ LYS B 86 10.535 -0.530 -9.055 1.00 62.23 N ATOM 0 H LYS B 86 8.549 -0.083 -3.172 1.00 73.22 H new ATOM 0 HA LYS B 86 11.413 -0.558 -2.784 1.00 32.33 H new ATOM 0 HB2 LYS B 86 9.762 0.796 -4.973 1.00 14.50 H new ATOM 0 HB3 LYS B 86 11.485 0.488 -5.063 1.00 14.50 H new ATOM 0 HG2 LYS B 86 11.149 -1.919 -5.122 1.00 43.51 H new ATOM 0 HG3 LYS B 86 9.458 -1.763 -4.690 1.00 43.51 H new ATOM 0 HD2 LYS B 86 9.687 -2.268 -7.094 1.00 11.41 H new ATOM 0 HD3 LYS B 86 8.961 -0.689 -6.868 1.00 11.41 H new ATOM 0 HE2 LYS B 86 11.216 0.366 -7.260 1.00 21.25 H new ATOM 0 HE3 LYS B 86 11.879 -1.226 -7.572 1.00 21.25 H new ATOM 0 HZ1 LYS B 86 10.940 0.326 -9.484 1.00 62.23 H new ATOM 0 HZ2 LYS B 86 10.863 -1.367 -9.577 1.00 62.23 H new ATOM 0 HZ3 LYS B 86 9.497 -0.481 -9.098 1.00 62.23 H new ATOM 1505 N GLU B 87 9.982 2.352 -2.249 1.00 41.32 N ATOM 1506 CA GLU B 87 10.174 3.680 -1.635 1.00 44.45 C ATOM 1507 C GLU B 87 10.539 3.579 -0.146 1.00 32.42 C ATOM 1508 O GLU B 87 11.102 4.525 0.389 1.00 44.13 O ATOM 1509 CB GLU B 87 8.900 4.575 -1.817 1.00 10.12 C ATOM 1510 CG GLU B 87 8.941 5.560 -3.005 1.00 61.25 C ATOM 1511 CD GLU B 87 9.222 4.908 -4.366 1.00 31.51 C ATOM 1512 OE1 GLU B 87 8.266 4.498 -5.064 1.00 4.22 O ATOM 1513 OE2 GLU B 87 10.406 4.830 -4.768 1.00 10.41 O ATOM 0 H GLU B 87 9.003 2.108 -2.398 1.00 41.32 H new ATOM 0 HA GLU B 87 11.011 4.148 -2.153 1.00 44.45 H new ATOM 0 HB2 GLU B 87 8.035 3.924 -1.938 1.00 10.12 H new ATOM 0 HB3 GLU B 87 8.744 5.145 -0.901 1.00 10.12 H new ATOM 0 HG2 GLU B 87 7.987 6.085 -3.058 1.00 61.25 H new ATOM 0 HG3 GLU B 87 9.707 6.311 -2.811 1.00 61.25 H new ATOM 1520 N ILE B 88 10.264 2.429 0.500 1.00 54.31 N ATOM 1521 CA ILE B 88 10.467 2.258 1.955 1.00 51.32 C ATOM 1522 C ILE B 88 11.952 2.361 2.328 1.00 21.11 C ATOM 1523 O ILE B 88 12.294 2.992 3.327 1.00 23.11 O ATOM 1524 CB ILE B 88 9.873 0.892 2.477 1.00 42.54 C ATOM 1525 CG1 ILE B 88 8.345 0.847 2.214 1.00 73.54 C ATOM 1526 CG2 ILE B 88 10.171 0.654 3.983 1.00 12.00 C ATOM 1527 CD1 ILE B 88 7.679 -0.463 2.559 1.00 1.43 C ATOM 0 H ILE B 88 9.898 1.598 0.034 1.00 54.31 H new ATOM 0 HA ILE B 88 9.927 3.070 2.442 1.00 51.32 H new ATOM 0 HB ILE B 88 10.363 0.089 1.926 1.00 42.54 H new ATOM 0 HG12 ILE B 88 7.869 1.642 2.788 1.00 73.54 H new ATOM 0 HG13 ILE B 88 8.166 1.063 1.161 1.00 73.54 H new ATOM 0 HG21 ILE B 88 9.741 -0.299 4.293 1.00 12.00 H new ATOM 0 HG22 ILE B 88 11.249 0.635 4.142 1.00 12.00 H new ATOM 0 HG23 ILE B 88 9.732 1.459 4.572 1.00 12.00 H new ATOM 0 HD11 ILE B 88 6.613 -0.398 2.341 1.00 1.43 H new ATOM 0 HD12 ILE B 88 8.122 -1.264 1.967 1.00 1.43 H new ATOM 0 HD13 ILE B 88 7.820 -0.675 3.619 1.00 1.43 H new ATOM 1539 N ARG B 89 12.831 1.741 1.516 1.00 24.30 N ATOM 1540 CA ARG B 89 14.281 1.723 1.780 1.00 52.23 C ATOM 1541 C ARG B 89 14.906 3.154 1.715 1.00 61.33 C ATOM 1542 O ARG B 89 15.533 3.567 2.698 1.00 74.22 O ATOM 1543 CB ARG B 89 14.999 0.717 0.826 1.00 54.25 C ATOM 1544 CG ARG B 89 16.539 0.712 0.936 1.00 33.41 C ATOM 1545 CD ARG B 89 17.229 -0.166 -0.115 1.00 24.42 C ATOM 1546 NE ARG B 89 18.693 -0.057 -0.022 1.00 42.10 N ATOM 1547 CZ ARG B 89 19.566 -0.410 -0.981 1.00 74.34 C ATOM 1548 NH1 ARG B 89 19.141 -0.920 -2.145 1.00 23.11 N ATOM 1549 NH2 ARG B 89 20.867 -0.245 -0.777 1.00 21.53 N ATOM 0 H ARG B 89 12.559 1.244 0.668 1.00 24.30 H new ATOM 0 HA ARG B 89 14.433 1.375 2.802 1.00 52.23 H new ATOM 0 HB2 ARG B 89 14.630 -0.287 1.035 1.00 54.25 H new ATOM 0 HB3 ARG B 89 14.722 0.951 -0.202 1.00 54.25 H new ATOM 0 HG2 ARG B 89 16.905 1.734 0.839 1.00 33.41 H new ATOM 0 HG3 ARG B 89 16.822 0.365 1.930 1.00 33.41 H new ATOM 0 HD2 ARG B 89 16.930 -1.205 0.022 1.00 24.42 H new ATOM 0 HD3 ARG B 89 16.902 0.131 -1.112 1.00 24.42 H new ATOM 0 HE ARG B 89 19.079 0.319 0.844 1.00 42.10 H new ATOM 0 HH11 ARG B 89 18.143 -1.045 -2.313 1.00 23.11 H new ATOM 0 HH12 ARG B 89 19.816 -1.183 -2.863 1.00 23.11 H new ATOM 0 HH21 ARG B 89 21.199 0.148 0.104 1.00 21.53 H new ATOM 0 HH22 ARG B 89 21.535 -0.511 -1.501 1.00 21.53 H new ATOM 1563 N PRO B 90 14.760 3.946 0.592 1.00 23.32 N ATOM 1564 CA PRO B 90 15.276 5.338 0.545 1.00 13.13 C ATOM 1565 C PRO B 90 14.582 6.286 1.566 1.00 5.25 C ATOM 1566 O PRO B 90 15.245 7.158 2.121 1.00 13.12 O ATOM 1567 CB PRO B 90 15.037 5.771 -0.924 1.00 24.15 C ATOM 1568 CG PRO B 90 13.961 4.858 -1.431 1.00 12.54 C ATOM 1569 CD PRO B 90 14.167 3.554 -0.718 1.00 62.50 C ATOM 0 HA PRO B 90 16.326 5.392 0.833 1.00 13.13 H new ATOM 0 HB2 PRO B 90 14.728 6.815 -0.982 1.00 24.15 H new ATOM 0 HB3 PRO B 90 15.947 5.675 -1.516 1.00 24.15 H new ATOM 0 HG2 PRO B 90 12.972 5.266 -1.224 1.00 12.54 H new ATOM 0 HG3 PRO B 90 14.033 4.730 -2.511 1.00 12.54 H new ATOM 0 HD2 PRO B 90 13.227 3.019 -0.586 1.00 62.50 H new ATOM 0 HD3 PRO B 90 14.833 2.895 -1.276 1.00 62.50 H new ATOM 1577 N THR B 91 13.267 6.084 1.814 1.00 42.33 N ATOM 1578 CA THR B 91 12.516 6.848 2.857 1.00 50.14 C ATOM 1579 C THR B 91 13.170 6.646 4.239 1.00 20.05 C ATOM 1580 O THR B 91 13.430 7.601 4.973 1.00 22.51 O ATOM 1581 CB THR B 91 11.014 6.409 2.916 1.00 32.31 C ATOM 1582 OG1 THR B 91 10.366 6.748 1.682 1.00 34.04 O ATOM 1583 CG2 THR B 91 10.230 7.042 4.086 1.00 14.22 C ATOM 0 H THR B 91 12.699 5.402 1.312 1.00 42.33 H new ATOM 0 HA THR B 91 12.554 7.903 2.587 1.00 50.14 H new ATOM 0 HB THR B 91 11.014 5.331 3.079 1.00 32.31 H new ATOM 0 HG1 THR B 91 10.306 5.951 1.115 1.00 34.04 H new ATOM 0 HG21 THR B 91 9.198 6.693 4.064 1.00 14.22 H new ATOM 0 HG22 THR B 91 10.690 6.753 5.031 1.00 14.22 H new ATOM 0 HG23 THR B 91 10.248 8.128 3.991 1.00 14.22 H new ATOM 1591 N TYR B 92 13.470 5.379 4.539 1.00 21.02 N ATOM 1592 CA TYR B 92 14.147 4.969 5.771 1.00 3.11 C ATOM 1593 C TYR B 92 15.563 5.555 5.837 1.00 1.21 C ATOM 1594 O TYR B 92 16.055 5.851 6.919 1.00 51.04 O ATOM 1595 CB TYR B 92 14.197 3.423 5.866 1.00 41.20 C ATOM 1596 CG TYR B 92 14.899 2.895 7.125 1.00 74.20 C ATOM 1597 CD1 TYR B 92 14.329 3.071 8.382 1.00 62.45 C ATOM 1598 CD2 TYR B 92 16.132 2.252 7.058 1.00 11.11 C ATOM 1599 CE1 TYR B 92 14.958 2.622 9.517 1.00 4.40 C ATOM 1600 CE2 TYR B 92 16.770 1.806 8.197 1.00 75.15 C ATOM 1601 CZ TYR B 92 16.180 1.991 9.424 1.00 52.11 C ATOM 1602 OH TYR B 92 16.812 1.555 10.554 1.00 34.21 O ATOM 0 H TYR B 92 13.246 4.598 3.923 1.00 21.02 H new ATOM 0 HA TYR B 92 13.580 5.355 6.618 1.00 3.11 H new ATOM 0 HB2 TYR B 92 13.179 3.035 5.841 1.00 41.20 H new ATOM 0 HB3 TYR B 92 14.709 3.032 4.987 1.00 41.20 H new ATOM 0 HD1 TYR B 92 13.375 3.570 8.466 1.00 62.45 H new ATOM 0 HD2 TYR B 92 16.598 2.099 6.096 1.00 11.11 H new ATOM 0 HE1 TYR B 92 14.495 2.763 10.483 1.00 4.40 H new ATOM 0 HE2 TYR B 92 17.729 1.314 8.125 1.00 75.15 H new ATOM 0 HH TYR B 92 17.662 1.132 10.311 1.00 34.21 H new ATOM 1612 N ALA B 93 16.206 5.723 4.669 1.00 45.11 N ATOM 1613 CA ALA B 93 17.586 6.226 4.570 1.00 51.22 C ATOM 1614 C ALA B 93 17.675 7.757 4.734 1.00 71.45 C ATOM 1615 O ALA B 93 18.786 8.314 4.746 1.00 2.13 O ATOM 1616 CB ALA B 93 18.187 5.789 3.228 1.00 34.40 C ATOM 0 H ALA B 93 15.782 5.513 3.765 1.00 45.11 H new ATOM 0 HA ALA B 93 18.158 5.797 5.392 1.00 51.22 H new ATOM 0 HB1 ALA B 93 19.209 6.159 3.149 1.00 34.40 H new ATOM 0 HB2 ALA B 93 18.189 4.701 3.168 1.00 34.40 H new ATOM 0 HB3 ALA B 93 17.590 6.196 2.412 1.00 34.40 H new ATOM 1622 N GLY B 94 16.514 8.427 4.879 1.00 63.42 N ATOM 1623 CA GLY B 94 16.462 9.879 5.072 1.00 12.34 C ATOM 1624 C GLY B 94 16.073 10.655 3.821 1.00 72.54 C ATOM 1625 O GLY B 94 15.978 11.885 3.880 1.00 74.52 O ATOM 0 H GLY B 94 15.599 7.977 4.865 1.00 63.42 H new ATOM 0 HA2 GLY B 94 15.748 10.105 5.864 1.00 12.34 H new ATOM 0 HA3 GLY B 94 17.437 10.225 5.414 1.00 12.34 H new ATOM 1629 N SER B 95 15.864 9.955 2.694 1.00 42.01 N ATOM 1630 CA SER B 95 15.448 10.582 1.432 1.00 75.12 C ATOM 1631 C SER B 95 13.989 11.090 1.518 1.00 35.41 C ATOM 1632 O SER B 95 13.033 10.308 1.391 1.00 61.04 O ATOM 1633 CB SER B 95 15.622 9.600 0.251 1.00 71.14 C ATOM 1634 OG SER B 95 16.959 9.113 0.170 1.00 13.40 O ATOM 0 H SER B 95 15.978 8.943 2.633 1.00 42.01 H new ATOM 0 HA SER B 95 16.091 11.444 1.255 1.00 75.12 H new ATOM 0 HB2 SER B 95 14.935 8.762 0.369 1.00 71.14 H new ATOM 0 HB3 SER B 95 15.358 10.100 -0.681 1.00 71.14 H new ATOM 0 HG SER B 95 17.036 8.493 -0.585 1.00 13.40 H new ATOM 1640 N LYS B 96 13.846 12.408 1.786 1.00 42.21 N ATOM 1641 CA LYS B 96 12.552 13.124 1.797 1.00 55.41 C ATOM 1642 C LYS B 96 11.864 13.046 0.429 1.00 31.11 C ATOM 1643 O LYS B 96 10.629 13.013 0.353 1.00 2.11 O ATOM 1644 CB LYS B 96 12.779 14.603 2.222 1.00 73.12 C ATOM 1645 CG LYS B 96 13.719 15.405 1.295 1.00 33.23 C ATOM 1646 CD LYS B 96 14.121 16.783 1.870 1.00 32.12 C ATOM 1647 CE LYS B 96 12.926 17.717 2.113 1.00 50.23 C ATOM 1648 NZ LYS B 96 13.341 18.996 2.755 1.00 31.43 N ATOM 0 H LYS B 96 14.639 13.012 2.004 1.00 42.21 H new ATOM 0 HA LYS B 96 11.892 12.644 2.520 1.00 55.41 H new ATOM 0 HB2 LYS B 96 11.814 15.107 2.262 1.00 73.12 H new ATOM 0 HB3 LYS B 96 13.188 14.618 3.232 1.00 73.12 H new ATOM 0 HG2 LYS B 96 14.620 14.820 1.110 1.00 33.23 H new ATOM 0 HG3 LYS B 96 13.230 15.550 0.332 1.00 33.23 H new ATOM 0 HD2 LYS B 96 14.653 16.635 2.810 1.00 32.12 H new ATOM 0 HD3 LYS B 96 14.816 17.266 1.183 1.00 32.12 H new ATOM 0 HE2 LYS B 96 12.433 17.930 1.164 1.00 50.23 H new ATOM 0 HE3 LYS B 96 12.195 17.214 2.746 1.00 50.23 H new ATOM 0 HZ1 LYS B 96 12.506 19.598 2.902 1.00 31.43 H new ATOM 0 HZ2 LYS B 96 13.788 18.795 3.672 1.00 31.43 H new ATOM 0 HZ3 LYS B 96 14.019 19.489 2.140 1.00 31.43 H new ATOM 1662 N SER B 97 12.686 13.000 -0.638 1.00 31.31 N ATOM 1663 CA SER B 97 12.219 12.834 -2.016 1.00 60.10 C ATOM 1664 C SER B 97 11.356 11.561 -2.133 1.00 34.31 C ATOM 1665 O SER B 97 10.209 11.626 -2.563 1.00 43.34 O ATOM 1666 CB SER B 97 13.425 12.772 -2.980 1.00 5.40 C ATOM 1667 OG SER B 97 14.328 11.740 -2.615 1.00 72.34 O ATOM 0 H SER B 97 13.700 13.078 -0.560 1.00 31.31 H new ATOM 0 HA SER B 97 11.604 13.691 -2.291 1.00 60.10 H new ATOM 0 HB2 SER B 97 13.071 12.605 -3.997 1.00 5.40 H new ATOM 0 HB3 SER B 97 13.945 13.730 -2.977 1.00 5.40 H new ATOM 0 HG SER B 97 15.079 11.725 -3.244 1.00 72.34 H new ATOM 1673 N ALA B 98 11.910 10.430 -1.648 1.00 52.10 N ATOM 1674 CA ALA B 98 11.242 9.119 -1.673 1.00 30.43 C ATOM 1675 C ALA B 98 10.074 9.069 -0.687 1.00 60.52 C ATOM 1676 O ALA B 98 9.083 8.404 -0.949 1.00 52.44 O ATOM 1677 CB ALA B 98 12.238 8.015 -1.345 1.00 74.34 C ATOM 0 H ALA B 98 12.838 10.404 -1.227 1.00 52.10 H new ATOM 0 HA ALA B 98 10.848 8.967 -2.678 1.00 30.43 H new ATOM 0 HB1 ALA B 98 11.732 7.050 -1.367 1.00 74.34 H new ATOM 0 HB2 ALA B 98 13.042 8.020 -2.081 1.00 74.34 H new ATOM 0 HB3 ALA B 98 12.655 8.184 -0.352 1.00 74.34 H new ATOM 1683 N MET B 99 10.226 9.777 0.447 1.00 13.51 N ATOM 1684 CA MET B 99 9.233 9.814 1.534 1.00 30.33 C ATOM 1685 C MET B 99 7.892 10.380 1.047 1.00 62.04 C ATOM 1686 O MET B 99 6.842 9.830 1.362 1.00 63.10 O ATOM 1687 CB MET B 99 9.803 10.625 2.727 1.00 3.01 C ATOM 1688 CG MET B 99 8.888 10.742 3.964 1.00 31.52 C ATOM 1689 SD MET B 99 7.650 12.054 3.824 1.00 41.10 S ATOM 1690 CE MET B 99 8.688 13.518 3.765 1.00 12.12 C ATOM 0 H MET B 99 11.052 10.346 0.636 1.00 13.51 H new ATOM 0 HA MET B 99 9.036 8.796 1.870 1.00 30.33 H new ATOM 0 HB2 MET B 99 10.742 10.167 3.037 1.00 3.01 H new ATOM 0 HB3 MET B 99 10.039 11.630 2.378 1.00 3.01 H new ATOM 0 HG2 MET B 99 8.381 9.790 4.122 1.00 31.52 H new ATOM 0 HG3 MET B 99 9.503 10.926 4.845 1.00 31.52 H new ATOM 0 HE1 MET B 99 8.122 14.380 4.119 1.00 12.12 H new ATOM 0 HE2 MET B 99 9.561 13.371 4.401 1.00 12.12 H new ATOM 0 HE3 MET B 99 9.012 13.693 2.739 1.00 12.12 H new ATOM 1700 N GLU B 100 7.946 11.464 0.257 1.00 65.01 N ATOM 1701 CA GLU B 100 6.745 12.099 -0.330 1.00 52.25 C ATOM 1702 C GLU B 100 6.112 11.209 -1.427 1.00 11.42 C ATOM 1703 O GLU B 100 4.897 11.236 -1.638 1.00 11.34 O ATOM 1704 CB GLU B 100 7.122 13.494 -0.894 1.00 2.31 C ATOM 1705 CG GLU B 100 5.988 14.269 -1.614 1.00 70.44 C ATOM 1706 CD GLU B 100 4.832 14.693 -0.689 1.00 13.41 C ATOM 1707 OE1 GLU B 100 4.918 15.774 -0.062 1.00 12.44 O ATOM 1708 OE2 GLU B 100 3.823 13.956 -0.583 1.00 75.32 O ATOM 0 H GLU B 100 8.819 11.927 0.005 1.00 65.01 H new ATOM 0 HA GLU B 100 5.997 12.220 0.453 1.00 52.25 H new ATOM 0 HB2 GLU B 100 7.489 14.109 -0.072 1.00 2.31 H new ATOM 0 HB3 GLU B 100 7.949 13.369 -1.593 1.00 2.31 H new ATOM 0 HG2 GLU B 100 6.410 15.159 -2.081 1.00 70.44 H new ATOM 0 HG3 GLU B 100 5.589 13.647 -2.415 1.00 70.44 H new ATOM 1715 N ARG B 101 6.957 10.418 -2.109 1.00 54.32 N ATOM 1716 CA ARG B 101 6.510 9.460 -3.149 1.00 63.53 C ATOM 1717 C ARG B 101 5.886 8.209 -2.491 1.00 53.13 C ATOM 1718 O ARG B 101 5.039 7.538 -3.089 1.00 74.43 O ATOM 1719 CB ARG B 101 7.701 9.059 -4.065 1.00 20.20 C ATOM 1720 CG ARG B 101 8.443 10.252 -4.714 1.00 63.42 C ATOM 1721 CD ARG B 101 7.549 11.122 -5.608 1.00 73.33 C ATOM 1722 NE ARG B 101 8.236 12.347 -6.070 1.00 64.11 N ATOM 1723 CZ ARG B 101 8.877 12.503 -7.241 1.00 63.15 C ATOM 1724 NH1 ARG B 101 8.955 11.509 -8.124 1.00 74.21 N ATOM 1725 NH2 ARG B 101 9.421 13.674 -7.530 1.00 74.14 N ATOM 0 H ARG B 101 7.966 10.420 -1.960 1.00 54.32 H new ATOM 0 HA ARG B 101 5.751 9.942 -3.765 1.00 63.53 H new ATOM 0 HB2 ARG B 101 8.414 8.480 -3.479 1.00 20.20 H new ATOM 0 HB3 ARG B 101 7.331 8.405 -4.855 1.00 20.20 H new ATOM 0 HG2 ARG B 101 8.870 10.874 -3.927 1.00 63.42 H new ATOM 0 HG3 ARG B 101 9.275 9.872 -5.307 1.00 63.42 H new ATOM 0 HD2 ARG B 101 7.228 10.541 -6.472 1.00 73.33 H new ATOM 0 HD3 ARG B 101 6.649 11.399 -5.058 1.00 73.33 H new ATOM 0 HE ARG B 101 8.222 13.150 -5.441 1.00 64.11 H new ATOM 0 HH11 ARG B 101 8.523 10.608 -7.917 1.00 74.21 H new ATOM 0 HH12 ARG B 101 9.446 11.649 -9.007 1.00 74.21 H new ATOM 0 HH21 ARG B 101 9.351 14.446 -6.867 1.00 74.14 H new ATOM 0 HH22 ARG B 101 9.910 13.805 -8.416 1.00 74.14 H new ATOM 1739 N LEU B 102 6.332 7.913 -1.253 1.00 2.05 N ATOM 1740 CA LEU B 102 5.805 6.805 -0.440 1.00 22.23 C ATOM 1741 C LEU B 102 4.441 7.201 0.141 1.00 44.55 C ATOM 1742 O LEU B 102 3.503 6.395 0.159 1.00 41.11 O ATOM 1743 CB LEU B 102 6.817 6.431 0.684 1.00 4.55 C ATOM 1744 CG LEU B 102 6.413 5.259 1.635 1.00 25.43 C ATOM 1745 CD1 LEU B 102 6.018 3.986 0.864 1.00 14.11 C ATOM 1746 CD2 LEU B 102 7.536 4.961 2.650 1.00 54.00 C ATOM 0 H LEU B 102 7.072 8.441 -0.790 1.00 2.05 H new ATOM 0 HA LEU B 102 5.669 5.923 -1.066 1.00 22.23 H new ATOM 0 HB2 LEU B 102 7.767 6.175 0.214 1.00 4.55 H new ATOM 0 HB3 LEU B 102 6.991 7.318 1.293 1.00 4.55 H new ATOM 0 HG LEU B 102 5.529 5.586 2.182 1.00 25.43 H new ATOM 0 HD11 LEU B 102 5.746 3.202 1.571 1.00 14.11 H new ATOM 0 HD12 LEU B 102 5.168 4.202 0.217 1.00 14.11 H new ATOM 0 HD13 LEU B 102 6.860 3.652 0.258 1.00 14.11 H new ATOM 0 HD21 LEU B 102 7.230 4.141 3.300 1.00 54.00 H new ATOM 0 HD22 LEU B 102 8.444 4.681 2.116 1.00 54.00 H new ATOM 0 HD23 LEU B 102 7.728 5.849 3.252 1.00 54.00 H new ATOM 1758 N LYS B 103 4.357 8.458 0.633 1.00 41.24 N ATOM 1759 CA LYS B 103 3.101 9.076 1.080 1.00 13.15 C ATOM 1760 C LYS B 103 2.064 9.045 -0.049 1.00 43.33 C ATOM 1761 O LYS B 103 0.968 8.503 0.126 1.00 30.45 O ATOM 1762 CB LYS B 103 3.335 10.533 1.556 1.00 64.51 C ATOM 1763 CG LYS B 103 4.184 10.680 2.836 1.00 70.01 C ATOM 1764 CD LYS B 103 4.396 12.155 3.245 1.00 43.10 C ATOM 1765 CE LYS B 103 3.087 12.900 3.568 1.00 44.05 C ATOM 1766 NZ LYS B 103 2.411 12.365 4.782 1.00 75.53 N ATOM 0 H LYS B 103 5.167 9.070 0.729 1.00 41.24 H new ATOM 0 HA LYS B 103 2.722 8.501 1.925 1.00 13.15 H new ATOM 0 HB2 LYS B 103 3.820 11.087 0.752 1.00 64.51 H new ATOM 0 HB3 LYS B 103 2.366 11.002 1.727 1.00 64.51 H new ATOM 0 HG2 LYS B 103 3.697 10.147 3.653 1.00 70.01 H new ATOM 0 HG3 LYS B 103 5.154 10.208 2.680 1.00 70.01 H new ATOM 0 HD2 LYS B 103 5.049 12.191 4.117 1.00 43.10 H new ATOM 0 HD3 LYS B 103 4.911 12.676 2.438 1.00 43.10 H new ATOM 0 HE2 LYS B 103 3.302 13.959 3.712 1.00 44.05 H new ATOM 0 HE3 LYS B 103 2.411 12.825 2.717 1.00 44.05 H new ATOM 0 HZ1 LYS B 103 1.536 12.900 4.956 1.00 75.53 H new ATOM 0 HZ2 LYS B 103 2.180 11.361 4.637 1.00 75.53 H new ATOM 0 HZ3 LYS B 103 3.044 12.460 5.602 1.00 75.53 H new ATOM 1780 N ARG B 104 2.448 9.589 -1.216 1.00 41.20 N ATOM 1781 CA ARG B 104 1.588 9.613 -2.404 1.00 24.31 C ATOM 1782 C ARG B 104 1.199 8.188 -2.833 1.00 43.04 C ATOM 1783 O ARG B 104 0.100 7.981 -3.342 1.00 31.34 O ATOM 1784 CB ARG B 104 2.287 10.334 -3.581 1.00 23.14 C ATOM 1785 CG ARG B 104 1.379 10.492 -4.813 1.00 21.43 C ATOM 1786 CD ARG B 104 2.058 11.174 -6.011 1.00 54.35 C ATOM 1787 NE ARG B 104 1.103 11.354 -7.126 1.00 63.21 N ATOM 1788 CZ ARG B 104 1.414 11.678 -8.394 1.00 30.13 C ATOM 1789 NH1 ARG B 104 2.680 11.861 -8.759 1.00 71.22 N ATOM 1790 NH2 ARG B 104 0.438 11.812 -9.288 1.00 73.03 N ATOM 0 H ARG B 104 3.360 10.022 -1.359 1.00 41.20 H new ATOM 0 HA ARG B 104 0.684 10.162 -2.140 1.00 24.31 H new ATOM 0 HB2 ARG B 104 2.618 11.319 -3.252 1.00 23.14 H new ATOM 0 HB3 ARG B 104 3.180 9.776 -3.863 1.00 23.14 H new ATOM 0 HG2 ARG B 104 1.028 9.507 -5.121 1.00 21.43 H new ATOM 0 HG3 ARG B 104 0.499 11.070 -4.531 1.00 21.43 H new ATOM 0 HD2 ARG B 104 2.455 12.143 -5.707 1.00 54.35 H new ATOM 0 HD3 ARG B 104 2.904 10.574 -6.345 1.00 54.35 H new ATOM 0 HE ARG B 104 0.115 11.220 -6.913 1.00 63.21 H new ATOM 0 HH11 ARG B 104 3.429 11.756 -8.074 1.00 71.22 H new ATOM 0 HH12 ARG B 104 2.902 12.106 -9.724 1.00 71.22 H new ATOM 0 HH21 ARG B 104 -0.533 11.669 -9.009 1.00 73.03 H new ATOM 0 HH22 ARG B 104 0.660 12.057 -10.253 1.00 73.03 H new ATOM 1804 N GLY B 105 2.121 7.238 -2.604 1.00 21.52 N ATOM 1805 CA GLY B 105 1.873 5.823 -2.848 1.00 0.34 C ATOM 1806 C GLY B 105 0.643 5.308 -2.106 1.00 33.11 C ATOM 1807 O GLY B 105 -0.182 4.610 -2.691 1.00 41.23 O ATOM 0 H GLY B 105 3.055 7.437 -2.245 1.00 21.52 H new ATOM 0 HA2 GLY B 105 1.743 5.660 -3.918 1.00 0.34 H new ATOM 0 HA3 GLY B 105 2.746 5.246 -2.542 1.00 0.34 H new ATOM 1811 N ILE B 106 0.515 5.693 -0.814 1.00 0.21 N ATOM 1812 CA ILE B 106 -0.650 5.319 0.019 1.00 1.32 C ATOM 1813 C ILE B 106 -1.936 6.039 -0.461 1.00 14.42 C ATOM 1814 O ILE B 106 -2.991 5.436 -0.460 1.00 2.41 O ATOM 1815 CB ILE B 106 -0.387 5.542 1.573 1.00 23.44 C ATOM 1816 CG1 ILE B 106 0.325 4.299 2.219 1.00 72.02 C ATOM 1817 CG2 ILE B 106 -1.680 5.892 2.375 1.00 64.31 C ATOM 1818 CD1 ILE B 106 1.738 4.023 1.749 1.00 64.40 C ATOM 0 H ILE B 106 1.206 6.263 -0.327 1.00 0.21 H new ATOM 0 HA ILE B 106 -0.803 4.248 -0.111 1.00 1.32 H new ATOM 0 HB ILE B 106 0.274 6.407 1.636 1.00 23.44 H new ATOM 0 HG12 ILE B 106 0.344 4.438 3.300 1.00 72.02 H new ATOM 0 HG13 ILE B 106 -0.281 3.415 2.021 1.00 72.02 H new ATOM 0 HG21 ILE B 106 -1.429 6.031 3.427 1.00 64.31 H new ATOM 0 HG22 ILE B 106 -2.115 6.811 1.981 1.00 64.31 H new ATOM 0 HG23 ILE B 106 -2.400 5.079 2.278 1.00 64.31 H new ATOM 0 HD11 ILE B 106 2.127 3.144 2.262 1.00 64.40 H new ATOM 0 HD12 ILE B 106 1.735 3.844 0.674 1.00 64.40 H new ATOM 0 HD13 ILE B 106 2.370 4.882 1.972 1.00 64.40 H new ATOM 1830 N ILE B 107 -1.836 7.312 -0.886 1.00 12.13 N ATOM 1831 CA ILE B 107 -3.008 8.062 -1.404 1.00 53.00 C ATOM 1832 C ILE B 107 -3.522 7.382 -2.696 1.00 40.21 C ATOM 1833 O ILE B 107 -4.733 7.156 -2.866 1.00 13.33 O ATOM 1834 CB ILE B 107 -2.680 9.594 -1.667 1.00 40.03 C ATOM 1835 CG1 ILE B 107 -2.662 10.424 -0.336 1.00 62.15 C ATOM 1836 CG2 ILE B 107 -3.672 10.242 -2.676 1.00 11.31 C ATOM 1837 CD1 ILE B 107 -1.646 9.990 0.705 1.00 43.34 C ATOM 0 H ILE B 107 -0.966 7.844 -0.884 1.00 12.13 H new ATOM 0 HA ILE B 107 -3.786 8.039 -0.641 1.00 53.00 H new ATOM 0 HB ILE B 107 -1.682 9.617 -2.105 1.00 40.03 H new ATOM 0 HG12 ILE B 107 -2.474 11.468 -0.585 1.00 62.15 H new ATOM 0 HG13 ILE B 107 -3.655 10.377 0.112 1.00 62.15 H new ATOM 0 HG21 ILE B 107 -3.408 11.289 -2.824 1.00 11.31 H new ATOM 0 HG22 ILE B 107 -3.617 9.716 -3.629 1.00 11.31 H new ATOM 0 HG23 ILE B 107 -4.686 10.176 -2.283 1.00 11.31 H new ATOM 0 HD11 ILE B 107 -1.725 10.634 1.581 1.00 43.34 H new ATOM 0 HD12 ILE B 107 -1.841 8.958 0.995 1.00 43.34 H new ATOM 0 HD13 ILE B 107 -0.642 10.066 0.288 1.00 43.34 H new ATOM 1849 N HIS B 108 -2.569 7.024 -3.567 1.00 44.53 N ATOM 1850 CA HIS B 108 -2.828 6.369 -4.854 1.00 63.23 C ATOM 1851 C HIS B 108 -3.478 4.997 -4.595 1.00 11.20 C ATOM 1852 O HIS B 108 -4.511 4.673 -5.184 1.00 45.51 O ATOM 1853 CB HIS B 108 -1.486 6.233 -5.635 1.00 74.40 C ATOM 1854 CG HIS B 108 -1.594 5.817 -7.086 1.00 32.15 C ATOM 1855 ND1 HIS B 108 -0.544 5.924 -7.975 1.00 13.33 N ATOM 1856 CD2 HIS B 108 -2.617 5.291 -7.804 1.00 52.31 C ATOM 1857 CE1 HIS B 108 -0.921 5.483 -9.161 1.00 73.53 C ATOM 1858 NE2 HIS B 108 -2.169 5.089 -9.087 1.00 74.24 N ATOM 0 H HIS B 108 -1.577 7.185 -3.392 1.00 44.53 H new ATOM 0 HA HIS B 108 -3.514 6.961 -5.460 1.00 63.23 H new ATOM 0 HB2 HIS B 108 -0.966 7.190 -5.591 1.00 74.40 H new ATOM 0 HB3 HIS B 108 -0.860 5.506 -5.116 1.00 74.40 H new ATOM 0 HD2 HIS B 108 -3.607 5.070 -7.433 1.00 52.31 H new ATOM 0 HE1 HIS B 108 -0.303 5.452 -10.046 1.00 73.53 H new ATOM 0 HE2 HIS B 108 -2.716 4.698 -9.854 1.00 74.24 H new ATOM 1867 N ALA B 109 -2.879 4.241 -3.659 1.00 71.51 N ATOM 1868 CA ALA B 109 -3.318 2.884 -3.306 1.00 73.40 C ATOM 1869 C ALA B 109 -4.716 2.907 -2.667 1.00 61.03 C ATOM 1870 O ALA B 109 -5.601 2.187 -3.100 1.00 3.14 O ATOM 1871 CB ALA B 109 -2.307 2.218 -2.359 1.00 31.04 C ATOM 0 H ALA B 109 -2.071 4.559 -3.124 1.00 71.51 H new ATOM 0 HA ALA B 109 -3.373 2.298 -4.224 1.00 73.40 H new ATOM 0 HB1 ALA B 109 -2.650 1.214 -2.109 1.00 31.04 H new ATOM 0 HB2 ALA B 109 -1.335 2.158 -2.848 1.00 31.04 H new ATOM 0 HB3 ALA B 109 -2.219 2.809 -1.447 1.00 31.04 H new ATOM 1877 N ARG B 110 -4.904 3.809 -1.685 1.00 62.13 N ATOM 1878 CA ARG B 110 -6.129 3.884 -0.849 1.00 72.22 C ATOM 1879 C ARG B 110 -7.328 4.278 -1.718 1.00 63.41 C ATOM 1880 O ARG B 110 -8.438 3.795 -1.500 1.00 4.42 O ATOM 1881 CB ARG B 110 -5.912 4.903 0.320 1.00 53.53 C ATOM 1882 CG ARG B 110 -6.808 4.717 1.582 1.00 33.43 C ATOM 1883 CD ARG B 110 -8.220 5.315 1.463 1.00 72.45 C ATOM 1884 NE ARG B 110 -9.027 5.046 2.662 1.00 51.01 N ATOM 1885 CZ ARG B 110 -10.255 5.517 2.900 1.00 31.43 C ATOM 1886 NH1 ARG B 110 -10.868 6.301 2.018 1.00 52.45 N ATOM 1887 NH2 ARG B 110 -10.862 5.195 4.036 1.00 43.44 N ATOM 0 H ARG B 110 -4.208 4.514 -1.443 1.00 62.13 H new ATOM 0 HA ARG B 110 -6.335 2.907 -0.412 1.00 72.22 H new ATOM 0 HB2 ARG B 110 -4.869 4.848 0.631 1.00 53.53 H new ATOM 0 HB3 ARG B 110 -6.075 5.908 -0.069 1.00 53.53 H new ATOM 0 HG2 ARG B 110 -6.896 3.651 1.794 1.00 33.43 H new ATOM 0 HG3 ARG B 110 -6.307 5.171 2.437 1.00 33.43 H new ATOM 0 HD2 ARG B 110 -8.147 6.391 1.307 1.00 72.45 H new ATOM 0 HD3 ARG B 110 -8.719 4.899 0.588 1.00 72.45 H new ATOM 0 HE ARG B 110 -8.613 4.447 3.376 1.00 51.01 H new ATOM 0 HH11 ARG B 110 -10.401 6.550 1.146 1.00 52.45 H new ATOM 0 HH12 ARG B 110 -11.805 6.653 2.213 1.00 52.45 H new ATOM 0 HH21 ARG B 110 -10.391 4.595 4.714 1.00 43.44 H new ATOM 0 HH22 ARG B 110 -11.799 5.547 4.231 1.00 43.44 H new ATOM 1901 N ALA B 111 -7.068 5.152 -2.709 1.00 22.11 N ATOM 1902 CA ALA B 111 -8.071 5.583 -3.684 1.00 50.41 C ATOM 1903 C ALA B 111 -8.491 4.406 -4.585 1.00 32.03 C ATOM 1904 O ALA B 111 -9.669 4.207 -4.814 1.00 12.45 O ATOM 1905 CB ALA B 111 -7.535 6.754 -4.516 1.00 23.24 C ATOM 0 H ALA B 111 -6.151 5.577 -2.851 1.00 22.11 H new ATOM 0 HA ALA B 111 -8.956 5.925 -3.148 1.00 50.41 H new ATOM 0 HB1 ALA B 111 -8.291 7.064 -5.237 1.00 23.24 H new ATOM 0 HB2 ALA B 111 -7.297 7.589 -3.857 1.00 23.24 H new ATOM 0 HB3 ALA B 111 -6.635 6.442 -5.046 1.00 23.24 H new ATOM 1911 N LEU B 112 -7.499 3.608 -5.038 1.00 41.21 N ATOM 1912 CA LEU B 112 -7.725 2.446 -5.936 1.00 50.34 C ATOM 1913 C LEU B 112 -8.492 1.323 -5.210 1.00 61.22 C ATOM 1914 O LEU B 112 -9.350 0.663 -5.805 1.00 35.13 O ATOM 1915 CB LEU B 112 -6.379 1.904 -6.474 1.00 14.11 C ATOM 1916 CG LEU B 112 -5.591 2.828 -7.449 1.00 73.13 C ATOM 1917 CD1 LEU B 112 -4.200 2.241 -7.737 1.00 21.14 C ATOM 1918 CD2 LEU B 112 -6.375 3.080 -8.753 1.00 53.03 C ATOM 0 H LEU B 112 -6.519 3.748 -4.794 1.00 41.21 H new ATOM 0 HA LEU B 112 -8.330 2.788 -6.776 1.00 50.34 H new ATOM 0 HB2 LEU B 112 -5.737 1.682 -5.622 1.00 14.11 H new ATOM 0 HB3 LEU B 112 -6.572 0.959 -6.982 1.00 14.11 H new ATOM 0 HG LEU B 112 -5.461 3.796 -6.964 1.00 73.13 H new ATOM 0 HD11 LEU B 112 -3.662 2.898 -8.420 1.00 21.14 H new ATOM 0 HD12 LEU B 112 -3.643 2.152 -6.805 1.00 21.14 H new ATOM 0 HD13 LEU B 112 -4.308 1.256 -8.191 1.00 21.14 H new ATOM 0 HD21 LEU B 112 -5.793 3.729 -9.408 1.00 53.03 H new ATOM 0 HD22 LEU B 112 -6.561 2.131 -9.255 1.00 53.03 H new ATOM 0 HD23 LEU B 112 -7.326 3.559 -8.519 1.00 53.03 H new ATOM 1930 N VAL B 113 -8.146 1.111 -3.929 1.00 32.24 N ATOM 1931 CA VAL B 113 -8.827 0.139 -3.055 1.00 42.41 C ATOM 1932 C VAL B 113 -10.278 0.595 -2.817 1.00 13.24 C ATOM 1933 O VAL B 113 -11.203 -0.213 -2.850 1.00 62.04 O ATOM 1934 CB VAL B 113 -8.076 -0.013 -1.675 1.00 53.14 C ATOM 1935 CG1 VAL B 113 -8.803 -0.979 -0.723 1.00 12.43 C ATOM 1936 CG2 VAL B 113 -6.614 -0.465 -1.869 1.00 52.20 C ATOM 0 H VAL B 113 -7.384 1.610 -3.469 1.00 32.24 H new ATOM 0 HA VAL B 113 -8.822 -0.833 -3.548 1.00 42.41 H new ATOM 0 HB VAL B 113 -8.075 0.976 -1.217 1.00 53.14 H new ATOM 0 HG11 VAL B 113 -8.250 -1.052 0.213 1.00 12.43 H new ATOM 0 HG12 VAL B 113 -9.807 -0.606 -0.523 1.00 12.43 H new ATOM 0 HG13 VAL B 113 -8.867 -1.965 -1.184 1.00 12.43 H new ATOM 0 HG21 VAL B 113 -6.130 -0.558 -0.897 1.00 52.20 H new ATOM 0 HG22 VAL B 113 -6.596 -1.429 -2.378 1.00 52.20 H new ATOM 0 HG23 VAL B 113 -6.082 0.273 -2.470 1.00 52.20 H new ATOM 1946 N ARG B 114 -10.447 1.911 -2.613 1.00 51.22 N ATOM 1947 CA ARG B 114 -11.757 2.532 -2.359 1.00 55.10 C ATOM 1948 C ARG B 114 -12.657 2.452 -3.605 1.00 53.24 C ATOM 1949 O ARG B 114 -13.867 2.230 -3.499 1.00 25.24 O ATOM 1950 CB ARG B 114 -11.552 4.000 -1.913 1.00 62.33 C ATOM 1951 CG ARG B 114 -12.838 4.757 -1.535 1.00 30.53 C ATOM 1952 CD ARG B 114 -12.547 6.184 -1.044 1.00 51.41 C ATOM 1953 NE ARG B 114 -13.775 6.929 -0.718 1.00 15.43 N ATOM 1954 CZ ARG B 114 -13.814 8.166 -0.189 1.00 74.25 C ATOM 1955 NH1 ARG B 114 -12.687 8.833 0.078 1.00 63.43 N ATOM 1956 NH2 ARG B 114 -14.986 8.741 0.049 1.00 74.44 N ATOM 0 H ARG B 114 -9.675 2.578 -2.620 1.00 51.22 H new ATOM 0 HA ARG B 114 -12.260 1.986 -1.561 1.00 55.10 H new ATOM 0 HB2 ARG B 114 -10.878 4.012 -1.057 1.00 62.33 H new ATOM 0 HB3 ARG B 114 -11.054 4.541 -2.718 1.00 62.33 H new ATOM 0 HG2 ARG B 114 -13.500 4.800 -2.400 1.00 30.53 H new ATOM 0 HG3 ARG B 114 -13.366 4.207 -0.756 1.00 30.53 H new ATOM 0 HD2 ARG B 114 -11.909 6.138 -0.162 1.00 51.41 H new ATOM 0 HD3 ARG B 114 -11.992 6.723 -1.812 1.00 51.41 H new ATOM 0 HE ARG B 114 -14.666 6.471 -0.908 1.00 15.43 H new ATOM 0 HH11 ARG B 114 -11.782 8.405 -0.119 1.00 63.43 H new ATOM 0 HH12 ARG B 114 -12.732 9.770 0.479 1.00 63.43 H new ATOM 0 HH21 ARG B 114 -15.851 8.246 -0.169 1.00 74.44 H new ATOM 0 HH22 ARG B 114 -15.022 9.678 0.450 1.00 74.44 H new ATOM 1970 N GLU B 115 -12.044 2.633 -4.780 1.00 72.43 N ATOM 1971 CA GLU B 115 -12.716 2.494 -6.082 1.00 55.51 C ATOM 1972 C GLU B 115 -13.101 1.021 -6.316 1.00 13.24 C ATOM 1973 O GLU B 115 -14.186 0.728 -6.831 1.00 13.11 O ATOM 1974 CB GLU B 115 -11.798 3.010 -7.222 1.00 23.24 C ATOM 1975 CG GLU B 115 -11.549 4.536 -7.211 1.00 65.12 C ATOM 1976 CD GLU B 115 -10.518 4.994 -8.257 1.00 32.21 C ATOM 1977 OE1 GLU B 115 -9.298 4.946 -7.978 1.00 60.14 O ATOM 1978 OE2 GLU B 115 -10.923 5.412 -9.367 1.00 1.01 O ATOM 0 H GLU B 115 -11.058 2.883 -4.857 1.00 72.43 H new ATOM 0 HA GLU B 115 -13.624 3.096 -6.080 1.00 55.51 H new ATOM 0 HB2 GLU B 115 -10.838 2.499 -7.156 1.00 23.24 H new ATOM 0 HB3 GLU B 115 -12.241 2.735 -8.179 1.00 23.24 H new ATOM 0 HG2 GLU B 115 -12.492 5.052 -7.391 1.00 65.12 H new ATOM 0 HG3 GLU B 115 -11.207 4.834 -6.220 1.00 65.12 H new ATOM 1985 N CYS B 116 -12.210 0.101 -5.909 1.00 51.41 N ATOM 1986 CA CYS B 116 -12.418 -1.344 -6.064 1.00 70.25 C ATOM 1987 C CYS B 116 -13.418 -1.890 -5.034 1.00 53.31 C ATOM 1988 O CYS B 116 -13.974 -2.956 -5.232 1.00 33.33 O ATOM 1989 CB CYS B 116 -11.084 -2.102 -5.986 1.00 22.10 C ATOM 1990 SG CYS B 116 -11.239 -3.885 -6.240 1.00 72.40 S ATOM 0 H CYS B 116 -11.325 0.341 -5.463 1.00 51.41 H new ATOM 0 HA CYS B 116 -12.847 -1.506 -7.053 1.00 70.25 H new ATOM 0 HB2 CYS B 116 -10.403 -1.696 -6.734 1.00 22.10 H new ATOM 0 HB3 CYS B 116 -10.631 -1.922 -5.011 1.00 22.10 H new ATOM 0 HG CYS B 116 -12.454 -4.258 -5.969 1.00 72.40 H new ATOM 1996 N LEU B 117 -13.626 -1.149 -3.923 1.00 73.43 N ATOM 1997 CA LEU B 117 -14.693 -1.447 -2.942 1.00 55.41 C ATOM 1998 C LEU B 117 -16.057 -1.507 -3.644 1.00 20.01 C ATOM 1999 O LEU B 117 -16.882 -2.360 -3.332 1.00 12.01 O ATOM 2000 CB LEU B 117 -14.743 -0.367 -1.825 1.00 42.50 C ATOM 2001 CG LEU B 117 -13.698 -0.472 -0.678 1.00 51.24 C ATOM 2002 CD1 LEU B 117 -13.811 0.746 0.262 1.00 21.21 C ATOM 2003 CD2 LEU B 117 -13.878 -1.784 0.111 1.00 24.00 C ATOM 0 H LEU B 117 -13.063 -0.333 -3.682 1.00 73.43 H new ATOM 0 HA LEU B 117 -14.468 -2.413 -2.489 1.00 55.41 H new ATOM 0 HB2 LEU B 117 -14.629 0.609 -2.296 1.00 42.50 H new ATOM 0 HB3 LEU B 117 -15.737 -0.391 -1.378 1.00 42.50 H new ATOM 0 HG LEU B 117 -12.702 -0.479 -1.121 1.00 51.24 H new ATOM 0 HD11 LEU B 117 -13.074 0.659 1.060 1.00 21.21 H new ATOM 0 HD12 LEU B 117 -13.628 1.660 -0.303 1.00 21.21 H new ATOM 0 HD13 LEU B 117 -14.811 0.781 0.694 1.00 21.21 H new ATOM 0 HD21 LEU B 117 -13.136 -1.834 0.908 1.00 24.00 H new ATOM 0 HD22 LEU B 117 -14.878 -1.814 0.544 1.00 24.00 H new ATOM 0 HD23 LEU B 117 -13.748 -2.633 -0.560 1.00 24.00 H new