USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 640 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 99 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= -0.0458 USER MOD Set 2.1: A 43 ASN : amide:sc= -1.66 K(o=-3,f=-5.3!) USER MOD Set 2.2: A 45 GLN : amide:sc= -1.37 X(o=-3,f=-3.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.061) USER MOD Single : A 23 TYR OH : rot 99:sc= 0.0193 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc=-0.000607 (180deg=-0.0822) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.193 K(o=-0.19,f=-0.96) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 78 THR OG1 : rot 99:sc= 1.15 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= -0.0026 (180deg=-0.676) USER MOD Single : A 94 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.3) USER MOD Single : A 98 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.2) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.391 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 268 N CYS A 18 -47.475 -10.476 -55.630 1.00 3.13 N ATOM 269 CA CYS A 18 -47.112 -10.872 -54.275 1.00 70.22 C ATOM 270 C CYS A 18 -46.187 -9.839 -53.636 1.00 74.33 C ATOM 271 O CYS A 18 -46.576 -9.134 -52.706 1.00 32.23 O ATOM 272 CB CYS A 18 -46.432 -12.243 -54.287 1.00 1.41 C ATOM 273 SG CYS A 18 -46.471 -13.106 -52.683 1.00 53.44 S ATOM 0 HA CYS A 18 -48.025 -10.932 -53.683 1.00 70.22 H new ATOM 0 HB2 CYS A 18 -46.915 -12.870 -55.037 1.00 1.41 H new ATOM 0 HB3 CYS A 18 -45.394 -12.119 -54.596 1.00 1.41 H new ATOM 279 N SER A 19 -44.962 -9.757 -54.144 1.00 51.24 N ATOM 280 CA SER A 19 -43.980 -8.813 -53.623 1.00 44.32 C ATOM 281 C SER A 19 -43.451 -9.274 -52.267 1.00 62.30 C ATOM 282 O SER A 19 -42.277 -9.614 -52.131 1.00 60.25 O ATOM 283 CB SER A 19 -44.598 -7.420 -53.494 1.00 12.23 C ATOM 284 OG SER A 19 -43.603 -6.412 -53.558 1.00 21.04 O ATOM 0 H SER A 19 -44.625 -10.333 -54.916 1.00 51.24 H new ATOM 0 HA SER A 19 -43.147 -8.769 -54.324 1.00 44.32 H new ATOM 0 HB2 SER A 19 -45.327 -7.267 -54.290 1.00 12.23 H new ATOM 0 HB3 SER A 19 -45.137 -7.344 -52.550 1.00 12.23 H new ATOM 0 HG SER A 19 -44.024 -5.531 -53.475 1.00 21.04 H new ATOM 290 N GLU A 20 -44.328 -9.281 -51.268 1.00 20.31 N ATOM 291 CA GLU A 20 -43.949 -9.700 -49.923 1.00 53.20 C ATOM 292 C GLU A 20 -43.316 -11.087 -49.943 1.00 23.55 C ATOM 293 O GLU A 20 -42.159 -11.259 -49.560 1.00 24.31 O ATOM 294 CB GLU A 20 -45.171 -9.697 -49.002 1.00 61.00 C ATOM 295 CG GLU A 20 -45.154 -8.580 -47.972 1.00 64.31 C ATOM 296 CD GLU A 20 -46.051 -7.420 -48.356 1.00 0.40 C ATOM 297 OE1 GLU A 20 -45.957 -6.954 -49.510 1.00 71.41 O ATOM 298 OE2 GLU A 20 -46.847 -6.978 -47.502 1.00 11.45 O ATOM 0 H GLU A 20 -45.304 -9.002 -51.364 1.00 20.31 H new ATOM 0 HA GLU A 20 -43.214 -8.991 -49.542 1.00 53.20 H new ATOM 0 HB2 GLU A 20 -46.072 -9.607 -49.608 1.00 61.00 H new ATOM 0 HB3 GLU A 20 -45.229 -10.655 -48.486 1.00 61.00 H new ATOM 0 HG2 GLU A 20 -45.471 -8.976 -47.007 1.00 64.31 H new ATOM 0 HG3 GLU A 20 -44.133 -8.220 -47.849 1.00 64.31 H new ATOM 305 N TRP A 21 -44.083 -12.075 -50.392 1.00 51.51 N ATOM 306 CA TRP A 21 -43.598 -13.449 -50.461 1.00 41.02 C ATOM 307 C TRP A 21 -43.276 -13.983 -49.070 1.00 2.53 C ATOM 308 O TRP A 21 -42.286 -13.586 -48.456 1.00 73.23 O ATOM 309 CB TRP A 21 -42.357 -13.528 -51.350 1.00 71.44 C ATOM 310 CG TRP A 21 -42.653 -13.994 -52.744 1.00 2.33 C ATOM 311 CD1 TRP A 21 -43.265 -13.278 -53.734 1.00 24.42 C ATOM 312 CD2 TRP A 21 -42.353 -15.279 -53.301 1.00 14.42 C ATOM 313 NE1 TRP A 21 -43.364 -14.042 -54.873 1.00 51.05 N ATOM 314 CE2 TRP A 21 -42.810 -15.272 -54.633 1.00 22.14 C ATOM 315 CE3 TRP A 21 -41.741 -16.432 -52.804 1.00 75.02 C ATOM 316 CZ2 TRP A 21 -42.675 -16.375 -55.472 1.00 54.13 C ATOM 317 CZ3 TRP A 21 -41.607 -17.526 -53.638 1.00 24.43 C ATOM 318 CH2 TRP A 21 -42.072 -17.491 -54.960 1.00 42.11 C ATOM 0 H TRP A 21 -45.043 -11.950 -50.714 1.00 51.51 H new ATOM 0 HA TRP A 21 -44.386 -14.065 -50.893 1.00 41.02 H new ATOM 0 HB2 TRP A 21 -41.888 -12.545 -51.395 1.00 71.44 H new ATOM 0 HB3 TRP A 21 -41.635 -14.205 -50.894 1.00 71.44 H new ATOM 0 HD1 TRP A 21 -43.619 -12.262 -53.636 1.00 24.42 H new ATOM 0 HE1 TRP A 21 -43.782 -13.742 -55.754 1.00 51.05 H new ATOM 0 HE3 TRP A 21 -41.379 -16.468 -51.787 1.00 75.02 H new ATOM 0 HZ2 TRP A 21 -43.034 -16.350 -56.490 1.00 54.13 H new ATOM 0 HZ3 TRP A 21 -41.136 -18.423 -53.265 1.00 24.43 H new ATOM 0 HH2 TRP A 21 -41.952 -18.362 -55.587 1.00 42.11 H new ATOM 329 N GLN A 22 -44.118 -14.886 -48.578 1.00 3.24 N ATOM 330 CA GLN A 22 -43.923 -15.474 -47.258 1.00 1.02 C ATOM 331 C GLN A 22 -42.578 -16.189 -47.175 1.00 41.00 C ATOM 332 O GLN A 22 -42.439 -17.326 -47.626 1.00 22.11 O ATOM 333 CB GLN A 22 -45.054 -16.452 -46.939 1.00 24.15 C ATOM 334 CG GLN A 22 -46.442 -15.871 -47.160 1.00 42.44 C ATOM 335 CD GLN A 22 -46.628 -14.531 -46.476 1.00 2.51 C ATOM 336 OE1 GLN A 22 -46.637 -14.444 -45.247 1.00 34.22 O ATOM 337 NE2 GLN A 22 -46.780 -13.477 -47.269 1.00 53.22 N ATOM 0 H GLN A 22 -44.942 -15.226 -49.074 1.00 3.24 H new ATOM 0 HA GLN A 22 -43.932 -14.668 -46.524 1.00 1.02 H new ATOM 0 HB2 GLN A 22 -44.939 -17.342 -47.558 1.00 24.15 H new ATOM 0 HB3 GLN A 22 -44.964 -16.772 -45.901 1.00 24.15 H new ATOM 0 HG2 GLN A 22 -46.618 -15.756 -48.230 1.00 42.44 H new ATOM 0 HG3 GLN A 22 -47.189 -16.572 -46.787 1.00 42.44 H new ATOM 0 HE21 GLN A 22 -46.766 -13.595 -48.282 1.00 53.22 H new ATOM 0 HE22 GLN A 22 -46.911 -12.550 -46.865 1.00 53.22 H new ATOM 346 N TYR A 23 -41.591 -15.515 -46.596 1.00 65.10 N ATOM 347 CA TYR A 23 -40.256 -16.085 -46.456 1.00 62.23 C ATOM 348 C TYR A 23 -40.179 -17.003 -45.240 1.00 3.43 C ATOM 349 O TYR A 23 -40.579 -16.627 -44.138 1.00 23.11 O ATOM 350 CB TYR A 23 -39.214 -14.971 -46.335 1.00 63.40 C ATOM 351 CG TYR A 23 -39.236 -13.994 -47.487 1.00 74.41 C ATOM 352 CD1 TYR A 23 -39.374 -14.437 -48.797 1.00 75.44 C ATOM 353 CD2 TYR A 23 -39.117 -12.627 -47.268 1.00 2.01 C ATOM 354 CE1 TYR A 23 -39.394 -13.548 -49.854 1.00 54.25 C ATOM 355 CE2 TYR A 23 -39.138 -11.730 -48.318 1.00 75.04 C ATOM 356 CZ TYR A 23 -39.276 -12.195 -49.609 1.00 42.12 C ATOM 357 OH TYR A 23 -39.295 -11.305 -50.658 1.00 54.32 O ATOM 0 H TYR A 23 -41.690 -14.574 -46.216 1.00 65.10 H new ATOM 0 HA TYR A 23 -40.046 -16.676 -47.347 1.00 62.23 H new ATOM 0 HB2 TYR A 23 -39.382 -14.427 -45.405 1.00 63.40 H new ATOM 0 HB3 TYR A 23 -38.222 -15.418 -46.268 1.00 63.40 H new ATOM 0 HD1 TYR A 23 -39.467 -15.495 -48.992 1.00 75.44 H new ATOM 0 HD2 TYR A 23 -39.006 -12.259 -46.259 1.00 2.01 H new ATOM 0 HE1 TYR A 23 -39.501 -13.910 -50.866 1.00 54.25 H new ATOM 0 HE2 TYR A 23 -39.047 -10.671 -48.129 1.00 75.04 H new ATOM 0 HH TYR A 23 -40.190 -10.913 -50.739 1.00 54.32 H new ATOM 367 N GLY A 24 -39.663 -18.209 -45.448 1.00 43.14 N ATOM 368 CA GLY A 24 -39.542 -19.163 -44.361 1.00 64.32 C ATOM 369 C GLY A 24 -38.376 -18.851 -43.442 1.00 22.25 C ATOM 370 O GLY A 24 -37.670 -17.863 -43.638 1.00 40.51 O ATOM 0 H GLY A 24 -39.326 -18.544 -46.351 1.00 43.14 H new ATOM 0 HA2 GLY A 24 -40.466 -19.168 -43.782 1.00 64.32 H new ATOM 0 HA3 GLY A 24 -39.418 -20.165 -44.773 1.00 64.32 H new ATOM 374 N LYS A 25 -38.176 -19.697 -42.437 1.00 14.12 N ATOM 375 CA LYS A 25 -37.089 -19.508 -41.484 1.00 52.25 C ATOM 376 C LYS A 25 -35.735 -19.579 -42.183 1.00 41.14 C ATOM 377 O LYS A 25 -35.608 -20.170 -43.255 1.00 14.23 O ATOM 378 CB LYS A 25 -37.162 -20.564 -40.379 1.00 62.53 C ATOM 379 CG LYS A 25 -36.633 -21.924 -40.803 1.00 21.22 C ATOM 380 CD LYS A 25 -37.623 -22.654 -41.695 1.00 12.25 C ATOM 381 CE LYS A 25 -37.211 -22.583 -43.158 1.00 25.35 C ATOM 382 NZ LYS A 25 -37.520 -23.848 -43.882 1.00 62.42 N ATOM 0 H LYS A 25 -38.752 -20.520 -42.262 1.00 14.12 H new ATOM 0 HA LYS A 25 -37.197 -18.519 -41.039 1.00 52.25 H new ATOM 0 HB2 LYS A 25 -36.594 -20.215 -39.516 1.00 62.53 H new ATOM 0 HB3 LYS A 25 -38.198 -20.670 -40.057 1.00 62.53 H new ATOM 0 HG2 LYS A 25 -35.688 -21.799 -41.332 1.00 21.22 H new ATOM 0 HG3 LYS A 25 -36.426 -22.527 -39.919 1.00 21.22 H new ATOM 0 HD2 LYS A 25 -37.693 -23.697 -41.386 1.00 12.25 H new ATOM 0 HD3 LYS A 25 -38.615 -22.218 -41.573 1.00 12.25 H new ATOM 0 HE2 LYS A 25 -37.726 -21.753 -43.641 1.00 25.35 H new ATOM 0 HE3 LYS A 25 -36.143 -22.377 -43.225 1.00 25.35 H new ATOM 0 HZ1 LYS A 25 -37.225 -23.760 -44.875 1.00 62.42 H new ATOM 0 HZ2 LYS A 25 -37.008 -24.637 -43.437 1.00 62.42 H new ATOM 0 HZ3 LYS A 25 -38.543 -24.031 -43.840 1.00 62.42 H new ATOM 396 N CYS A 26 -34.723 -18.976 -41.566 1.00 24.52 N ATOM 397 CA CYS A 26 -33.378 -18.972 -42.127 1.00 25.41 C ATOM 398 C CYS A 26 -32.478 -19.959 -41.389 1.00 62.33 C ATOM 399 O CYS A 26 -32.119 -19.743 -40.231 1.00 71.23 O ATOM 400 CB CYS A 26 -32.777 -17.568 -42.057 1.00 12.42 C ATOM 401 SG CYS A 26 -33.655 -16.332 -43.068 1.00 72.43 S ATOM 0 H CYS A 26 -34.810 -18.484 -40.677 1.00 24.52 H new ATOM 0 HA CYS A 26 -33.446 -19.279 -43.171 1.00 25.41 H new ATOM 0 HB2 CYS A 26 -32.775 -17.237 -41.019 1.00 12.42 H new ATOM 0 HB3 CYS A 26 -31.737 -17.613 -42.380 1.00 12.42 H new ATOM 407 N VAL A 27 -32.117 -21.044 -42.067 1.00 21.32 N ATOM 408 CA VAL A 27 -31.258 -22.065 -41.478 1.00 12.24 C ATOM 409 C VAL A 27 -29.906 -22.115 -42.179 1.00 65.55 C ATOM 410 O VAL A 27 -29.816 -22.233 -43.400 1.00 74.34 O ATOM 411 CB VAL A 27 -31.913 -23.457 -41.546 1.00 53.23 C ATOM 412 CG1 VAL A 27 -32.502 -23.703 -42.926 1.00 13.20 C ATOM 413 CG2 VAL A 27 -30.903 -24.537 -41.189 1.00 5.34 C ATOM 0 H VAL A 27 -32.406 -21.239 -43.026 1.00 21.32 H new ATOM 0 HA VAL A 27 -31.112 -21.793 -40.433 1.00 12.24 H new ATOM 0 HB VAL A 27 -32.724 -23.494 -40.819 1.00 53.23 H new ATOM 0 HG11 VAL A 27 -32.960 -24.691 -42.955 1.00 13.20 H new ATOM 0 HG12 VAL A 27 -33.257 -22.946 -43.139 1.00 13.20 H new ATOM 0 HG13 VAL A 27 -31.711 -23.648 -43.674 1.00 13.20 H new ATOM 0 HG21 VAL A 27 -31.382 -25.515 -41.242 1.00 5.34 H new ATOM 0 HG22 VAL A 27 -30.070 -24.503 -41.891 1.00 5.34 H new ATOM 0 HG23 VAL A 27 -30.532 -24.369 -40.178 1.00 5.34 H new ATOM 423 N PRO A 28 -28.825 -22.027 -41.387 1.00 13.13 N ATOM 424 CA PRO A 28 -27.456 -22.062 -41.910 1.00 63.21 C ATOM 425 C PRO A 28 -27.074 -23.439 -42.443 1.00 2.34 C ATOM 426 O PRO A 28 -27.082 -24.424 -41.706 1.00 42.23 O ATOM 427 CB PRO A 28 -26.602 -21.704 -40.692 1.00 23.23 C ATOM 428 CG PRO A 28 -27.427 -22.109 -39.519 1.00 50.13 C ATOM 429 CD PRO A 28 -28.858 -21.885 -39.922 1.00 31.35 C ATOM 0 HA PRO A 28 -27.324 -21.385 -42.754 1.00 63.21 H new ATOM 0 HB2 PRO A 28 -25.649 -22.233 -40.707 1.00 23.23 H new ATOM 0 HB3 PRO A 28 -26.375 -20.638 -40.667 1.00 23.23 H new ATOM 0 HG2 PRO A 28 -27.253 -23.154 -39.262 1.00 50.13 H new ATOM 0 HG3 PRO A 28 -27.172 -21.517 -38.640 1.00 50.13 H new ATOM 0 HD2 PRO A 28 -29.524 -22.615 -39.462 1.00 31.35 H new ATOM 0 HD3 PRO A 28 -29.211 -20.898 -39.622 1.00 31.35 H new ATOM 437 N ASN A 29 -26.740 -23.500 -43.727 1.00 73.15 N ATOM 438 CA ASN A 29 -26.354 -24.757 -44.359 1.00 25.24 C ATOM 439 C ASN A 29 -24.838 -24.851 -44.503 1.00 1.42 C ATOM 440 O ASN A 29 -24.245 -25.901 -44.256 1.00 5.22 O ATOM 441 CB ASN A 29 -27.018 -24.887 -45.731 1.00 3.00 C ATOM 442 CG ASN A 29 -27.463 -26.306 -46.026 1.00 62.43 C ATOM 443 OD1 ASN A 29 -28.597 -26.539 -46.442 1.00 33.31 O ATOM 444 ND2 ASN A 29 -26.568 -27.263 -45.811 1.00 22.51 N ATOM 0 H ASN A 29 -26.729 -22.694 -44.351 1.00 73.15 H new ATOM 0 HA ASN A 29 -26.691 -25.574 -43.721 1.00 25.24 H new ATOM 0 HB2 ASN A 29 -27.880 -24.222 -45.779 1.00 3.00 H new ATOM 0 HB3 ASN A 29 -26.320 -24.560 -46.502 1.00 3.00 H new ATOM 0 HD21 ASN A 29 -26.810 -28.237 -45.992 1.00 22.51 H new ATOM 0 HD22 ASN A 29 -25.639 -27.024 -45.465 1.00 22.51 H new ATOM 451 N SER A 30 -24.218 -23.746 -44.904 1.00 62.31 N ATOM 452 CA SER A 30 -22.772 -23.704 -45.084 1.00 65.41 C ATOM 453 C SER A 30 -22.060 -23.586 -43.739 1.00 14.43 C ATOM 454 O SER A 30 -21.463 -22.555 -43.430 1.00 61.45 O ATOM 455 CB SER A 30 -22.382 -22.532 -45.986 1.00 11.05 C ATOM 456 OG SER A 30 -20.985 -22.513 -46.223 1.00 1.15 O ATOM 0 H SER A 30 -24.694 -22.868 -45.110 1.00 62.31 H new ATOM 0 HA SER A 30 -22.463 -24.635 -45.558 1.00 65.41 H new ATOM 0 HB2 SER A 30 -22.914 -22.607 -46.935 1.00 11.05 H new ATOM 0 HB3 SER A 30 -22.688 -21.594 -45.522 1.00 11.05 H new ATOM 0 HG SER A 30 -20.762 -21.755 -46.803 1.00 1.15 H new ATOM 462 N GLY A 31 -22.129 -24.649 -42.944 1.00 15.32 N ATOM 463 CA GLY A 31 -21.488 -24.643 -41.642 1.00 30.50 C ATOM 464 C GLY A 31 -22.487 -24.606 -40.503 1.00 21.23 C ATOM 465 O GLY A 31 -23.666 -24.908 -40.693 1.00 3.31 O ATOM 0 H GLY A 31 -22.617 -25.514 -43.178 1.00 15.32 H new ATOM 0 HA2 GLY A 31 -20.863 -25.531 -41.544 1.00 30.50 H new ATOM 0 HA3 GLY A 31 -20.828 -23.779 -41.570 1.00 30.50 H new ATOM 469 N ASP A 32 -22.017 -24.237 -39.317 1.00 13.32 N ATOM 470 CA ASP A 32 -22.879 -24.161 -38.143 1.00 62.23 C ATOM 471 C ASP A 32 -23.709 -22.881 -38.159 1.00 64.41 C ATOM 472 O ASP A 32 -24.894 -22.893 -37.827 1.00 24.13 O ATOM 473 CB ASP A 32 -22.041 -24.225 -36.864 1.00 55.03 C ATOM 474 CG ASP A 32 -21.707 -25.648 -36.461 1.00 14.15 C ATOM 475 OD1 ASP A 32 -22.557 -26.539 -36.669 1.00 35.24 O ATOM 476 OD2 ASP A 32 -20.596 -25.870 -35.937 1.00 62.10 O ATOM 0 H ASP A 32 -21.044 -23.986 -39.143 1.00 13.32 H new ATOM 0 HA ASP A 32 -23.559 -25.013 -38.166 1.00 62.23 H new ATOM 0 HB2 ASP A 32 -21.117 -23.666 -37.010 1.00 55.03 H new ATOM 0 HB3 ASP A 32 -22.583 -23.739 -36.053 1.00 55.03 H new ATOM 481 N CYS A 33 -23.078 -21.777 -38.546 1.00 23.42 N ATOM 482 CA CYS A 33 -23.757 -20.489 -38.604 1.00 52.34 C ATOM 483 C CYS A 33 -23.090 -19.570 -39.624 1.00 12.22 C ATOM 484 O CYS A 33 -21.890 -19.665 -39.870 1.00 74.33 O ATOM 485 CB CYS A 33 -23.754 -19.826 -37.225 1.00 13.21 C ATOM 486 SG CYS A 33 -22.110 -19.275 -36.666 1.00 32.45 S ATOM 0 H CYS A 33 -22.097 -21.749 -38.824 1.00 23.42 H new ATOM 0 HA CYS A 33 -24.787 -20.661 -38.915 1.00 52.34 H new ATOM 0 HB2 CYS A 33 -24.425 -18.967 -37.245 1.00 13.21 H new ATOM 0 HB3 CYS A 33 -24.157 -20.528 -36.495 1.00 13.21 H new ATOM 492 N GLY A 34 -23.882 -18.678 -40.213 1.00 35.32 N ATOM 493 CA GLY A 34 -23.353 -17.753 -41.200 1.00 63.25 C ATOM 494 C GLY A 34 -24.355 -17.431 -42.289 1.00 63.10 C ATOM 495 O GLY A 34 -25.341 -16.734 -42.048 1.00 60.44 O ATOM 0 H GLY A 34 -24.880 -18.579 -40.025 1.00 35.32 H new ATOM 0 HA2 GLY A 34 -23.052 -16.830 -40.704 1.00 63.25 H new ATOM 0 HA3 GLY A 34 -22.457 -18.180 -41.650 1.00 63.25 H new ATOM 499 N ASN A 35 -24.104 -17.937 -43.492 1.00 64.11 N ATOM 500 CA ASN A 35 -24.992 -17.697 -44.623 1.00 72.01 C ATOM 501 C ASN A 35 -25.929 -18.881 -44.841 1.00 61.22 C ATOM 502 O ASN A 35 -25.530 -19.910 -45.385 1.00 72.53 O ATOM 503 CB ASN A 35 -24.177 -17.437 -45.892 1.00 64.14 C ATOM 504 CG ASN A 35 -24.317 -16.011 -46.387 1.00 75.11 C ATOM 505 OD1 ASN A 35 -25.110 -15.728 -47.284 1.00 32.24 O ATOM 506 ND2 ASN A 35 -23.543 -15.102 -45.802 1.00 24.55 N ATOM 0 H ASN A 35 -23.293 -18.516 -43.709 1.00 64.11 H new ATOM 0 HA ASN A 35 -25.594 -16.817 -44.399 1.00 72.01 H new ATOM 0 HB2 ASN A 35 -23.126 -17.649 -45.695 1.00 64.14 H new ATOM 0 HB3 ASN A 35 -24.499 -18.124 -46.675 1.00 64.14 H new ATOM 0 HD21 ASN A 35 -23.593 -14.126 -46.094 1.00 24.55 H new ATOM 0 HD22 ASN A 35 -22.899 -15.381 -45.062 1.00 24.55 H new ATOM 513 N GLY A 36 -27.178 -18.728 -44.412 1.00 64.22 N ATOM 514 CA GLY A 36 -28.152 -19.792 -44.569 1.00 11.32 C ATOM 515 C GLY A 36 -29.111 -19.535 -45.714 1.00 11.01 C ATOM 516 O GLY A 36 -28.865 -18.672 -46.557 1.00 51.52 O ATOM 0 H GLY A 36 -27.533 -17.886 -43.958 1.00 64.22 H new ATOM 0 HA2 GLY A 36 -27.632 -20.735 -44.739 1.00 11.32 H new ATOM 0 HA3 GLY A 36 -28.717 -19.903 -43.644 1.00 11.32 H new ATOM 520 N ILE A 37 -30.206 -20.286 -45.747 1.00 24.11 N ATOM 521 CA ILE A 37 -31.205 -20.136 -46.797 1.00 31.23 C ATOM 522 C ILE A 37 -32.618 -20.243 -46.232 1.00 34.44 C ATOM 523 O ILE A 37 -32.844 -20.906 -45.221 1.00 60.32 O ATOM 524 CB ILE A 37 -31.024 -21.194 -47.901 1.00 34.45 C ATOM 525 CG1 ILE A 37 -31.501 -20.644 -49.248 1.00 74.35 C ATOM 526 CG2 ILE A 37 -31.780 -22.465 -47.547 1.00 63.13 C ATOM 527 CD1 ILE A 37 -30.393 -20.030 -50.077 1.00 25.34 C ATOM 0 H ILE A 37 -30.424 -21.005 -45.058 1.00 24.11 H new ATOM 0 HA ILE A 37 -31.063 -19.145 -47.228 1.00 31.23 H new ATOM 0 HB ILE A 37 -29.964 -21.435 -47.981 1.00 34.45 H new ATOM 0 HG12 ILE A 37 -31.965 -21.450 -49.817 1.00 74.35 H new ATOM 0 HG13 ILE A 37 -32.271 -19.893 -49.072 1.00 74.35 H new ATOM 0 HG21 ILE A 37 -31.642 -23.203 -48.337 1.00 63.13 H new ATOM 0 HG22 ILE A 37 -31.400 -22.865 -46.607 1.00 63.13 H new ATOM 0 HG23 ILE A 37 -32.841 -22.240 -47.442 1.00 63.13 H new ATOM 0 HD11 ILE A 37 -30.803 -19.661 -51.017 1.00 25.34 H new ATOM 0 HD12 ILE A 37 -29.944 -19.202 -49.528 1.00 25.34 H new ATOM 0 HD13 ILE A 37 -29.633 -20.783 -50.284 1.00 25.34 H new ATOM 539 N ARG A 38 -33.565 -19.588 -46.896 1.00 10.53 N ATOM 540 CA ARG A 38 -34.957 -19.610 -46.461 1.00 43.23 C ATOM 541 C ARG A 38 -35.886 -19.941 -47.625 1.00 41.13 C ATOM 542 O ARG A 38 -35.780 -19.354 -48.701 1.00 74.13 O ATOM 543 CB ARG A 38 -35.344 -18.261 -45.852 1.00 34.12 C ATOM 544 CG ARG A 38 -35.358 -17.121 -46.857 1.00 35.25 C ATOM 545 CD ARG A 38 -35.455 -15.770 -46.166 1.00 35.13 C ATOM 546 NE ARG A 38 -34.214 -15.008 -46.278 1.00 34.32 N ATOM 547 CZ ARG A 38 -34.145 -13.690 -46.125 1.00 32.05 C ATOM 548 NH1 ARG A 38 -35.239 -12.993 -45.854 1.00 12.25 N ATOM 549 NH2 ARG A 38 -32.979 -13.068 -46.242 1.00 4.41 N ATOM 0 H ARG A 38 -33.394 -19.036 -47.737 1.00 10.53 H new ATOM 0 HA ARG A 38 -35.063 -20.387 -45.704 1.00 43.23 H new ATOM 0 HB2 ARG A 38 -36.331 -18.347 -45.398 1.00 34.12 H new ATOM 0 HB3 ARG A 38 -34.645 -18.020 -45.051 1.00 34.12 H new ATOM 0 HG2 ARG A 38 -34.452 -17.157 -47.462 1.00 35.25 H new ATOM 0 HG3 ARG A 38 -36.201 -17.244 -47.537 1.00 35.25 H new ATOM 0 HD2 ARG A 38 -36.273 -15.197 -46.603 1.00 35.13 H new ATOM 0 HD3 ARG A 38 -35.696 -15.918 -45.113 1.00 35.13 H new ATOM 0 HE ARG A 38 -33.354 -15.515 -46.485 1.00 34.32 H new ATOM 0 HH11 ARG A 38 -36.137 -13.468 -45.762 1.00 12.25 H new ATOM 0 HH12 ARG A 38 -35.183 -11.981 -45.737 1.00 12.25 H new ATOM 0 HH21 ARG A 38 -32.135 -13.602 -46.450 1.00 4.41 H new ATOM 0 HH22 ARG A 38 -32.927 -12.056 -46.124 1.00 4.41 H new ATOM 563 N GLU A 39 -36.794 -20.885 -47.402 1.00 44.23 N ATOM 564 CA GLU A 39 -37.739 -21.295 -48.433 1.00 3.13 C ATOM 565 C GLU A 39 -39.021 -20.468 -48.356 1.00 64.54 C ATOM 566 O GLU A 39 -39.553 -20.230 -47.272 1.00 32.42 O ATOM 567 CB GLU A 39 -38.070 -22.782 -48.292 1.00 23.20 C ATOM 568 CG GLU A 39 -37.089 -23.695 -49.009 1.00 40.52 C ATOM 569 CD GLU A 39 -36.606 -24.834 -48.134 1.00 5.33 C ATOM 570 OE1 GLU A 39 -36.036 -24.555 -47.058 1.00 23.12 O ATOM 571 OE2 GLU A 39 -36.797 -26.005 -48.525 1.00 44.42 O ATOM 0 H GLU A 39 -36.895 -21.380 -46.516 1.00 44.23 H new ATOM 0 HA GLU A 39 -37.274 -21.125 -49.404 1.00 3.13 H new ATOM 0 HB2 GLU A 39 -38.089 -23.043 -47.234 1.00 23.20 H new ATOM 0 HB3 GLU A 39 -39.072 -22.961 -48.682 1.00 23.20 H new ATOM 0 HG2 GLU A 39 -37.564 -24.103 -49.901 1.00 40.52 H new ATOM 0 HG3 GLU A 39 -36.232 -23.110 -49.343 1.00 40.52 H new ATOM 578 N ALA A 40 -39.507 -20.033 -49.513 1.00 24.34 N ATOM 579 CA ALA A 40 -40.726 -19.237 -49.578 1.00 55.43 C ATOM 580 C ALA A 40 -41.640 -19.720 -50.698 1.00 41.31 C ATOM 581 O ALA A 40 -41.174 -20.122 -51.764 1.00 33.23 O ATOM 582 CB ALA A 40 -40.383 -17.766 -49.771 1.00 31.22 C ATOM 0 H ALA A 40 -39.075 -20.218 -50.418 1.00 24.34 H new ATOM 0 HA ALA A 40 -41.259 -19.356 -48.635 1.00 55.43 H new ATOM 0 HB1 ALA A 40 -41.302 -17.181 -49.818 1.00 31.22 H new ATOM 0 HB2 ALA A 40 -39.776 -17.421 -48.934 1.00 31.22 H new ATOM 0 HB3 ALA A 40 -39.826 -17.641 -50.699 1.00 31.22 H new ATOM 588 N THR A 41 -42.946 -19.680 -50.449 1.00 72.13 N ATOM 589 CA THR A 41 -43.926 -20.115 -51.435 1.00 22.32 C ATOM 590 C THR A 41 -45.053 -19.099 -51.578 1.00 42.13 C ATOM 591 O THR A 41 -45.769 -18.813 -50.617 1.00 53.15 O ATOM 592 CB THR A 41 -44.527 -21.484 -51.062 1.00 15.22 C ATOM 593 OG1 THR A 41 -43.949 -21.957 -49.840 1.00 15.11 O ATOM 594 CG2 THR A 41 -44.288 -22.500 -52.169 1.00 11.42 C ATOM 0 H THR A 41 -43.349 -19.350 -49.572 1.00 72.13 H new ATOM 0 HA THR A 41 -43.400 -20.204 -52.386 1.00 22.32 H new ATOM 0 HB THR A 41 -45.602 -21.360 -50.930 1.00 15.22 H new ATOM 0 HG1 THR A 41 -44.338 -22.827 -49.609 1.00 15.11 H new ATOM 0 HG21 THR A 41 -44.721 -23.458 -51.883 1.00 11.42 H new ATOM 0 HG22 THR A 41 -44.755 -22.151 -53.090 1.00 11.42 H new ATOM 0 HG23 THR A 41 -43.216 -22.619 -52.328 1.00 11.42 H new ATOM 602 N CYS A 42 -45.207 -18.557 -52.781 1.00 71.12 N ATOM 603 CA CYS A 42 -46.247 -17.572 -53.049 1.00 61.21 C ATOM 604 C CYS A 42 -46.676 -17.619 -54.513 1.00 32.52 C ATOM 605 O CYS A 42 -45.892 -17.984 -55.389 1.00 24.01 O ATOM 606 CB CYS A 42 -45.753 -16.168 -52.695 1.00 24.24 C ATOM 607 SG CYS A 42 -47.058 -14.897 -52.703 1.00 73.12 S ATOM 0 H CYS A 42 -44.624 -18.784 -53.587 1.00 71.12 H new ATOM 0 HA CYS A 42 -47.110 -17.813 -52.428 1.00 61.21 H new ATOM 0 HB2 CYS A 42 -45.293 -16.195 -51.707 1.00 24.24 H new ATOM 0 HB3 CYS A 42 -44.975 -15.879 -53.402 1.00 24.24 H new ATOM 613 N ASN A 43 -47.925 -17.246 -54.770 1.00 62.52 N ATOM 614 CA ASN A 43 -48.459 -17.245 -56.128 1.00 63.31 C ATOM 615 C ASN A 43 -48.605 -18.669 -56.655 1.00 25.15 C ATOM 616 O ASN A 43 -49.717 -19.182 -56.783 1.00 20.44 O ATOM 617 CB ASN A 43 -47.548 -16.438 -57.055 1.00 40.12 C ATOM 618 CG ASN A 43 -47.414 -14.993 -56.618 1.00 55.33 C ATOM 619 OD1 ASN A 43 -46.308 -14.455 -56.545 1.00 23.23 O ATOM 620 ND2 ASN A 43 -48.541 -14.356 -56.324 1.00 1.11 N ATOM 0 H ASN A 43 -48.587 -16.940 -54.056 1.00 62.52 H new ATOM 0 HA ASN A 43 -49.445 -16.782 -56.104 1.00 63.31 H new ATOM 0 HB2 ASN A 43 -46.561 -16.900 -57.082 1.00 40.12 H new ATOM 0 HB3 ASN A 43 -47.944 -16.473 -58.070 1.00 40.12 H new ATOM 0 HD21 ASN A 43 -48.513 -13.382 -56.024 1.00 1.11 H new ATOM 0 HD22 ASN A 43 -49.435 -14.841 -56.399 1.00 1.11 H new ATOM 627 N GLU A 44 -47.477 -19.303 -56.958 1.00 12.11 N ATOM 628 CA GLU A 44 -47.481 -20.667 -57.472 1.00 3.10 C ATOM 629 C GLU A 44 -46.066 -21.124 -57.814 1.00 32.14 C ATOM 630 O GLU A 44 -45.859 -21.870 -58.771 1.00 72.11 O ATOM 631 CB GLU A 44 -48.375 -20.767 -58.710 1.00 2.23 C ATOM 632 CG GLU A 44 -49.377 -21.907 -58.645 1.00 20.53 C ATOM 633 CD GLU A 44 -48.902 -23.144 -59.384 1.00 24.20 C ATOM 634 OE1 GLU A 44 -48.607 -23.037 -60.592 1.00 53.44 O ATOM 635 OE2 GLU A 44 -48.826 -24.219 -58.754 1.00 2.44 O ATOM 0 H GLU A 44 -46.548 -18.894 -56.856 1.00 12.11 H new ATOM 0 HA GLU A 44 -47.877 -21.320 -56.694 1.00 3.10 H new ATOM 0 HB2 GLU A 44 -48.913 -19.828 -58.836 1.00 2.23 H new ATOM 0 HB3 GLU A 44 -47.747 -20.896 -59.592 1.00 2.23 H new ATOM 0 HG2 GLU A 44 -49.565 -22.161 -57.602 1.00 20.53 H new ATOM 0 HG3 GLU A 44 -50.325 -21.577 -59.069 1.00 20.53 H new ATOM 642 N GLN A 45 -45.097 -20.671 -57.027 1.00 50.53 N ATOM 643 CA GLN A 45 -43.702 -21.031 -57.247 1.00 64.41 C ATOM 644 C GLN A 45 -42.938 -21.087 -55.928 1.00 3.31 C ATOM 645 O GLN A 45 -43.247 -20.354 -54.988 1.00 52.34 O ATOM 646 CB GLN A 45 -43.036 -20.029 -58.192 1.00 0.23 C ATOM 647 CG GLN A 45 -43.253 -18.578 -57.791 1.00 64.02 C ATOM 648 CD GLN A 45 -43.933 -17.767 -58.875 1.00 23.42 C ATOM 649 OE1 GLN A 45 -43.840 -18.092 -60.060 1.00 23.23 O ATOM 650 NE2 GLN A 45 -44.624 -16.705 -58.476 1.00 73.53 N ATOM 0 H GLN A 45 -45.252 -20.053 -56.230 1.00 50.53 H new ATOM 0 HA GLN A 45 -43.678 -22.021 -57.702 1.00 64.41 H new ATOM 0 HB2 GLN A 45 -41.966 -20.231 -58.227 1.00 0.23 H new ATOM 0 HB3 GLN A 45 -43.422 -20.181 -59.200 1.00 0.23 H new ATOM 0 HG2 GLN A 45 -43.856 -18.542 -56.884 1.00 64.02 H new ATOM 0 HG3 GLN A 45 -42.291 -18.124 -57.552 1.00 64.02 H new ATOM 0 HE21 GLN A 45 -44.674 -16.473 -57.484 1.00 73.53 H new ATOM 0 HE22 GLN A 45 -45.104 -16.122 -59.162 1.00 73.53 H new ATOM 659 N THR A 46 -41.941 -21.963 -55.864 1.00 41.01 N ATOM 660 CA THR A 46 -41.134 -22.117 -54.659 1.00 33.43 C ATOM 661 C THR A 46 -39.670 -21.790 -54.932 1.00 25.01 C ATOM 662 O THR A 46 -39.054 -22.357 -55.835 1.00 13.44 O ATOM 663 CB THR A 46 -41.233 -23.547 -54.095 1.00 15.01 C ATOM 664 OG1 THR A 46 -42.523 -24.098 -54.379 1.00 33.34 O ATOM 665 CG2 THR A 46 -40.992 -23.554 -52.593 1.00 21.42 C ATOM 0 H THR A 46 -41.672 -22.577 -56.633 1.00 41.01 H new ATOM 0 HA THR A 46 -41.529 -21.417 -53.923 1.00 33.43 H new ATOM 0 HB THR A 46 -40.466 -24.156 -54.573 1.00 15.01 H new ATOM 0 HG1 THR A 46 -42.577 -25.008 -54.019 1.00 33.34 H new ATOM 0 HG21 THR A 46 -41.067 -24.574 -52.217 1.00 21.42 H new ATOM 0 HG22 THR A 46 -39.997 -23.162 -52.382 1.00 21.42 H new ATOM 0 HG23 THR A 46 -41.739 -22.931 -52.102 1.00 21.42 H new ATOM 673 N LYS A 47 -39.117 -20.873 -54.145 1.00 14.21 N ATOM 674 CA LYS A 47 -37.725 -20.471 -54.300 1.00 61.31 C ATOM 675 C LYS A 47 -37.060 -20.275 -52.941 1.00 13.21 C ATOM 676 O LYS A 47 -37.725 -19.963 -51.954 1.00 3.40 O ATOM 677 CB LYS A 47 -37.633 -19.180 -55.116 1.00 71.24 C ATOM 678 CG LYS A 47 -38.671 -18.141 -54.730 1.00 34.22 C ATOM 679 CD LYS A 47 -38.324 -16.771 -55.290 1.00 41.02 C ATOM 680 CE LYS A 47 -37.804 -15.841 -54.205 1.00 55.12 C ATOM 681 NZ LYS A 47 -36.997 -14.724 -54.772 1.00 22.13 N ATOM 0 H LYS A 47 -39.613 -20.394 -53.393 1.00 14.21 H new ATOM 0 HA LYS A 47 -37.201 -21.266 -54.830 1.00 61.31 H new ATOM 0 HB2 LYS A 47 -36.639 -18.751 -54.991 1.00 71.24 H new ATOM 0 HB3 LYS A 47 -37.747 -19.420 -56.173 1.00 71.24 H new ATOM 0 HG2 LYS A 47 -39.650 -18.449 -55.099 1.00 34.22 H new ATOM 0 HG3 LYS A 47 -38.743 -18.084 -53.644 1.00 34.22 H new ATOM 0 HD2 LYS A 47 -37.572 -16.876 -56.072 1.00 41.02 H new ATOM 0 HD3 LYS A 47 -39.207 -16.332 -55.754 1.00 41.02 H new ATOM 0 HE2 LYS A 47 -38.644 -15.433 -53.643 1.00 55.12 H new ATOM 0 HE3 LYS A 47 -37.195 -16.408 -53.501 1.00 55.12 H new ATOM 0 HZ1 LYS A 47 -36.661 -14.112 -54.001 1.00 22.13 H new ATOM 0 HZ2 LYS A 47 -36.181 -15.112 -55.287 1.00 22.13 H new ATOM 0 HZ3 LYS A 47 -37.585 -14.167 -55.424 1.00 22.13 H new ATOM 695 N LYS A 48 -35.745 -20.457 -52.898 1.00 33.43 N ATOM 696 CA LYS A 48 -34.990 -20.298 -51.662 1.00 43.42 C ATOM 697 C LYS A 48 -34.059 -19.092 -51.744 1.00 51.13 C ATOM 698 O LYS A 48 -33.292 -18.950 -52.698 1.00 11.34 O ATOM 699 CB LYS A 48 -34.179 -21.562 -51.367 1.00 34.51 C ATOM 700 CG LYS A 48 -34.954 -22.848 -51.599 1.00 64.11 C ATOM 701 CD LYS A 48 -34.336 -24.013 -50.845 1.00 62.43 C ATOM 702 CE LYS A 48 -33.251 -24.695 -51.664 1.00 51.45 C ATOM 703 NZ LYS A 48 -33.821 -25.517 -52.767 1.00 40.24 N ATOM 0 H LYS A 48 -35.179 -20.715 -53.707 1.00 33.43 H new ATOM 0 HA LYS A 48 -35.700 -20.133 -50.852 1.00 43.42 H new ATOM 0 HB2 LYS A 48 -33.287 -21.566 -51.994 1.00 34.51 H new ATOM 0 HB3 LYS A 48 -33.840 -21.533 -50.331 1.00 34.51 H new ATOM 0 HG2 LYS A 48 -35.988 -22.714 -51.280 1.00 64.11 H new ATOM 0 HG3 LYS A 48 -34.976 -23.074 -52.665 1.00 64.11 H new ATOM 0 HD2 LYS A 48 -33.914 -23.657 -49.905 1.00 62.43 H new ATOM 0 HD3 LYS A 48 -35.111 -24.736 -50.592 1.00 62.43 H new ATOM 0 HE2 LYS A 48 -32.583 -23.941 -52.081 1.00 51.45 H new ATOM 0 HE3 LYS A 48 -32.649 -25.329 -51.013 1.00 51.45 H new ATOM 0 HZ1 LYS A 48 -33.076 -26.121 -53.171 1.00 40.24 H new ATOM 0 HZ2 LYS A 48 -34.587 -26.114 -52.395 1.00 40.24 H new ATOM 0 HZ3 LYS A 48 -34.198 -24.891 -53.507 1.00 40.24 H new ATOM 717 N THR A 49 -34.129 -18.225 -50.738 1.00 31.04 N ATOM 718 CA THR A 49 -33.293 -17.033 -50.698 1.00 43.34 C ATOM 719 C THR A 49 -32.252 -17.129 -49.588 1.00 14.25 C ATOM 720 O THR A 49 -32.518 -17.675 -48.518 1.00 2.35 O ATOM 721 CB THR A 49 -34.137 -15.762 -50.485 1.00 51.14 C ATOM 722 OG1 THR A 49 -34.373 -15.558 -49.087 1.00 14.22 O ATOM 723 CG2 THR A 49 -35.466 -15.865 -51.219 1.00 62.42 C ATOM 0 H THR A 49 -34.757 -18.327 -49.940 1.00 31.04 H new ATOM 0 HA THR A 49 -32.788 -16.968 -51.662 1.00 43.34 H new ATOM 0 HB THR A 49 -33.583 -14.914 -50.887 1.00 51.14 H new ATOM 0 HG1 THR A 49 -34.909 -14.747 -48.961 1.00 14.22 H new ATOM 0 HG21 THR A 49 -36.044 -14.956 -51.054 1.00 62.42 H new ATOM 0 HG22 THR A 49 -35.283 -15.990 -52.286 1.00 62.42 H new ATOM 0 HG23 THR A 49 -36.024 -16.723 -50.843 1.00 62.42 H new ATOM 731 N LYS A 50 -31.064 -16.594 -49.850 1.00 64.50 N ATOM 732 CA LYS A 50 -29.982 -16.618 -48.873 1.00 12.30 C ATOM 733 C LYS A 50 -30.344 -15.794 -47.641 1.00 75.15 C ATOM 734 O LYS A 50 -31.199 -14.910 -47.702 1.00 51.13 O ATOM 735 CB LYS A 50 -28.692 -16.081 -49.497 1.00 73.14 C ATOM 736 CG LYS A 50 -27.898 -17.133 -50.253 1.00 42.53 C ATOM 737 CD LYS A 50 -27.589 -16.687 -51.672 1.00 44.23 C ATOM 738 CE LYS A 50 -28.819 -16.772 -52.563 1.00 41.32 C ATOM 739 NZ LYS A 50 -28.474 -17.204 -53.945 1.00 51.32 N ATOM 0 H LYS A 50 -30.826 -16.138 -50.731 1.00 64.50 H new ATOM 0 HA LYS A 50 -29.827 -17.652 -48.565 1.00 12.30 H new ATOM 0 HB2 LYS A 50 -28.939 -15.266 -50.177 1.00 73.14 H new ATOM 0 HB3 LYS A 50 -28.065 -15.661 -48.710 1.00 73.14 H new ATOM 0 HG2 LYS A 50 -26.967 -17.337 -49.724 1.00 42.53 H new ATOM 0 HG3 LYS A 50 -28.461 -18.066 -50.279 1.00 42.53 H new ATOM 0 HD2 LYS A 50 -27.217 -15.662 -51.660 1.00 44.23 H new ATOM 0 HD3 LYS A 50 -26.795 -17.309 -52.085 1.00 44.23 H new ATOM 0 HE2 LYS A 50 -29.533 -17.473 -52.131 1.00 41.32 H new ATOM 0 HE3 LYS A 50 -29.310 -15.799 -52.598 1.00 41.32 H new ATOM 0 HZ1 LYS A 50 -29.339 -17.250 -54.521 1.00 51.32 H new ATOM 0 HZ2 LYS A 50 -27.813 -16.521 -54.367 1.00 51.32 H new ATOM 0 HZ3 LYS A 50 -28.029 -18.143 -53.914 1.00 51.32 H new ATOM 753 N CYS A 51 -29.687 -16.090 -46.524 1.00 55.42 N ATOM 754 CA CYS A 51 -29.937 -15.376 -45.277 1.00 31.32 C ATOM 755 C CYS A 51 -28.667 -15.287 -44.436 1.00 34.54 C ATOM 756 O CYS A 51 -27.655 -15.912 -44.752 1.00 64.31 O ATOM 757 CB CYS A 51 -31.043 -16.072 -44.482 1.00 41.43 C ATOM 758 SG CYS A 51 -32.141 -14.931 -43.581 1.00 10.12 S ATOM 0 H CYS A 51 -28.977 -16.820 -46.457 1.00 55.42 H new ATOM 0 HA CYS A 51 -30.258 -14.364 -45.524 1.00 31.32 H new ATOM 0 HB2 CYS A 51 -31.643 -16.674 -45.165 1.00 41.43 H new ATOM 0 HB3 CYS A 51 -30.586 -16.759 -43.769 1.00 41.43 H new ATOM 764 N LYS A 52 -28.729 -14.507 -43.363 1.00 43.34 N ATOM 765 CA LYS A 52 -27.586 -14.337 -42.473 1.00 72.41 C ATOM 766 C LYS A 52 -28.028 -14.336 -41.013 1.00 74.31 C ATOM 767 O LYS A 52 -28.912 -13.573 -40.623 1.00 43.14 O ATOM 768 CB LYS A 52 -26.852 -13.033 -42.796 1.00 23.53 C ATOM 769 CG LYS A 52 -25.391 -13.232 -43.160 1.00 71.10 C ATOM 770 CD LYS A 52 -24.561 -13.619 -41.948 1.00 5.40 C ATOM 771 CE LYS A 52 -24.179 -12.400 -41.123 1.00 51.15 C ATOM 772 NZ LYS A 52 -22.891 -12.599 -40.402 1.00 62.44 N ATOM 0 H LYS A 52 -29.559 -13.982 -43.088 1.00 43.34 H new ATOM 0 HA LYS A 52 -26.908 -15.177 -42.628 1.00 72.41 H new ATOM 0 HB2 LYS A 52 -27.359 -12.535 -43.623 1.00 23.53 H new ATOM 0 HB3 LYS A 52 -26.916 -12.367 -41.935 1.00 23.53 H new ATOM 0 HG2 LYS A 52 -25.307 -14.007 -43.922 1.00 71.10 H new ATOM 0 HG3 LYS A 52 -24.995 -12.314 -43.595 1.00 71.10 H new ATOM 0 HD2 LYS A 52 -25.123 -14.318 -41.328 1.00 5.40 H new ATOM 0 HD3 LYS A 52 -23.659 -14.137 -42.274 1.00 5.40 H new ATOM 0 HE2 LYS A 52 -24.099 -11.530 -41.775 1.00 51.15 H new ATOM 0 HE3 LYS A 52 -24.969 -12.187 -40.403 1.00 51.15 H new ATOM 0 HZ1 LYS A 52 -22.666 -11.746 -39.851 1.00 62.44 H new ATOM 0 HZ2 LYS A 52 -22.975 -13.413 -39.760 1.00 62.44 H new ATOM 0 HZ3 LYS A 52 -22.132 -12.777 -41.090 1.00 62.44 H new ATOM 786 N VAL A 53 -27.405 -15.193 -40.211 1.00 20.35 N ATOM 787 CA VAL A 53 -27.733 -15.289 -38.793 1.00 63.42 C ATOM 788 C VAL A 53 -26.761 -14.473 -37.949 1.00 4.31 C ATOM 789 O VAL A 53 -25.604 -14.266 -38.315 1.00 34.45 O ATOM 790 CB VAL A 53 -27.714 -16.751 -38.311 1.00 3.23 C ATOM 791 CG1 VAL A 53 -28.628 -17.610 -39.171 1.00 40.22 C ATOM 792 CG2 VAL A 53 -26.294 -17.296 -38.319 1.00 65.33 C ATOM 0 H VAL A 53 -26.671 -15.831 -40.518 1.00 20.35 H new ATOM 0 HA VAL A 53 -28.739 -14.888 -38.672 1.00 63.42 H new ATOM 0 HB VAL A 53 -28.085 -16.782 -37.287 1.00 3.23 H new ATOM 0 HG11 VAL A 53 -28.601 -18.640 -38.815 1.00 40.22 H new ATOM 0 HG12 VAL A 53 -29.648 -17.231 -39.109 1.00 40.22 H new ATOM 0 HG13 VAL A 53 -28.291 -17.576 -40.207 1.00 40.22 H new ATOM 0 HG21 VAL A 53 -26.299 -18.330 -37.975 1.00 65.33 H new ATOM 0 HG22 VAL A 53 -25.893 -17.252 -39.332 1.00 65.33 H new ATOM 0 HG23 VAL A 53 -25.670 -16.697 -37.656 1.00 65.33 H new ATOM 802 N PRO A 54 -27.239 -13.999 -36.788 1.00 23.14 N ATOM 803 CA PRO A 54 -26.428 -13.200 -35.866 1.00 53.21 C ATOM 804 C PRO A 54 -25.335 -14.023 -35.192 1.00 14.12 C ATOM 805 O PRO A 54 -25.457 -14.401 -34.027 1.00 4.53 O ATOM 806 CB PRO A 54 -27.444 -12.712 -34.831 1.00 13.34 C ATOM 807 CG PRO A 54 -28.537 -13.726 -34.865 1.00 74.54 C ATOM 808 CD PRO A 54 -28.608 -14.208 -36.288 1.00 64.43 C ATOM 0 HA PRO A 54 -25.902 -12.395 -36.380 1.00 53.21 H new ATOM 0 HB2 PRO A 54 -26.997 -12.645 -33.839 1.00 13.34 H new ATOM 0 HB3 PRO A 54 -27.817 -11.719 -35.081 1.00 13.34 H new ATOM 0 HG2 PRO A 54 -28.326 -14.550 -34.183 1.00 74.54 H new ATOM 0 HG3 PRO A 54 -29.485 -13.289 -34.553 1.00 74.54 H new ATOM 0 HD2 PRO A 54 -28.900 -15.257 -36.343 1.00 64.43 H new ATOM 0 HD3 PRO A 54 -29.338 -13.643 -36.868 1.00 64.43 H new ATOM 816 N CYS A 55 -24.265 -14.295 -35.932 1.00 20.43 N ATOM 817 CA CYS A 55 -23.150 -15.074 -35.407 1.00 15.31 C ATOM 818 C CYS A 55 -21.892 -14.217 -35.299 1.00 64.11 C ATOM 819 O CYS A 55 -21.450 -13.620 -36.279 1.00 32.20 O ATOM 820 CB CYS A 55 -22.880 -16.285 -36.302 1.00 63.04 C ATOM 821 SG CYS A 55 -22.323 -17.766 -35.399 1.00 4.01 S ATOM 0 H CYS A 55 -24.147 -13.987 -36.897 1.00 20.43 H new ATOM 0 HA CYS A 55 -23.419 -15.421 -34.410 1.00 15.31 H new ATOM 0 HB2 CYS A 55 -23.790 -16.528 -36.851 1.00 63.04 H new ATOM 0 HB3 CYS A 55 -22.124 -16.017 -37.040 1.00 63.04 H new ATOM 827 N ASN A 56 -21.322 -14.162 -34.100 1.00 62.44 N ATOM 828 CA ASN A 56 -20.115 -13.378 -33.863 1.00 72.13 C ATOM 829 C ASN A 56 -18.943 -13.924 -34.674 1.00 22.32 C ATOM 830 O ASN A 56 -18.067 -13.173 -35.101 1.00 2.40 O ATOM 831 CB ASN A 56 -19.764 -13.381 -32.374 1.00 14.40 C ATOM 832 CG ASN A 56 -19.812 -11.992 -31.767 1.00 2.41 C ATOM 833 OD1 ASN A 56 -20.581 -11.137 -32.205 1.00 52.22 O ATOM 834 ND2 ASN A 56 -18.987 -11.762 -30.752 1.00 4.41 N ATOM 0 H ASN A 56 -21.676 -14.651 -33.278 1.00 62.44 H new ATOM 0 HA ASN A 56 -20.309 -12.354 -34.182 1.00 72.13 H new ATOM 0 HB2 ASN A 56 -20.457 -14.032 -31.841 1.00 14.40 H new ATOM 0 HB3 ASN A 56 -18.767 -13.799 -32.239 1.00 14.40 H new ATOM 0 HD21 ASN A 56 -18.974 -10.846 -30.303 1.00 4.41 H new ATOM 0 HD22 ASN A 56 -18.366 -12.501 -30.422 1.00 4.41 H new ATOM 941 N GLY A 62 -3.246 -12.602 -33.060 1.00 5.45 N ATOM 942 CA GLY A 62 -2.010 -11.849 -32.960 1.00 42.35 C ATOM 943 C GLY A 62 -0.831 -12.719 -32.574 1.00 64.55 C ATOM 944 O GLY A 62 -0.869 -13.938 -32.739 1.00 25.23 O ATOM 0 HA2 GLY A 62 -1.804 -11.366 -33.915 1.00 42.35 H new ATOM 0 HA3 GLY A 62 -2.130 -11.056 -32.222 1.00 42.35 H new ATOM 948 N ALA A 63 0.222 -12.093 -32.059 1.00 40.24 N ATOM 949 CA ALA A 63 1.418 -12.819 -31.648 1.00 11.24 C ATOM 950 C ALA A 63 1.113 -13.771 -30.497 1.00 24.41 C ATOM 951 O ALA A 63 1.809 -14.769 -30.304 1.00 11.03 O ATOM 952 CB ALA A 63 2.517 -11.844 -31.251 1.00 71.01 C ATOM 0 H ALA A 63 0.271 -11.084 -31.916 1.00 40.24 H new ATOM 0 HA ALA A 63 1.762 -13.412 -32.495 1.00 11.24 H new ATOM 0 HB1 ALA A 63 3.404 -12.400 -30.946 1.00 71.01 H new ATOM 0 HB2 ALA A 63 2.762 -11.207 -32.101 1.00 71.01 H new ATOM 0 HB3 ALA A 63 2.173 -11.226 -30.421 1.00 71.01 H new ATOM 958 N ASP A 64 0.070 -13.458 -29.736 1.00 70.04 N ATOM 959 CA ASP A 64 -0.326 -14.287 -28.604 1.00 3.24 C ATOM 960 C ASP A 64 0.861 -14.557 -27.685 1.00 3.13 C ATOM 961 O ASP A 64 0.981 -15.640 -27.110 1.00 73.51 O ATOM 962 CB ASP A 64 -0.918 -15.609 -29.096 1.00 4.35 C ATOM 963 CG ASP A 64 -1.797 -15.431 -30.317 1.00 32.55 C ATOM 964 OD1 ASP A 64 -2.442 -14.368 -30.435 1.00 51.03 O ATOM 965 OD2 ASP A 64 -1.841 -16.355 -31.157 1.00 71.31 O ATOM 0 H ASP A 64 -0.516 -12.636 -29.883 1.00 70.04 H new ATOM 0 HA ASP A 64 -1.084 -13.747 -28.037 1.00 3.24 H new ATOM 0 HB2 ASP A 64 -0.109 -16.300 -29.332 1.00 4.35 H new ATOM 0 HB3 ASP A 64 -1.502 -16.063 -28.295 1.00 4.35 H new ATOM 970 N CYS A 65 1.736 -13.567 -27.552 1.00 55.25 N ATOM 971 CA CYS A 65 2.915 -13.697 -26.704 1.00 73.25 C ATOM 972 C CYS A 65 2.857 -12.717 -25.537 1.00 45.22 C ATOM 973 O CYS A 65 2.386 -11.589 -25.680 1.00 63.32 O ATOM 974 CB CYS A 65 4.187 -13.456 -27.523 1.00 5.22 C ATOM 975 SG CYS A 65 4.508 -14.727 -28.787 1.00 24.41 S ATOM 0 H CYS A 65 1.651 -12.665 -28.021 1.00 55.25 H new ATOM 0 HA CYS A 65 2.934 -14.711 -26.304 1.00 73.25 H new ATOM 0 HB2 CYS A 65 4.114 -12.484 -28.011 1.00 5.22 H new ATOM 0 HB3 CYS A 65 5.039 -13.409 -26.845 1.00 5.22 H new ATOM 981 N LYS A 66 3.339 -13.157 -24.379 1.00 43.14 N ATOM 982 CA LYS A 66 3.344 -12.320 -23.184 1.00 73.44 C ATOM 983 C LYS A 66 4.522 -11.351 -23.203 1.00 73.42 C ATOM 984 O LYS A 66 5.634 -11.718 -23.585 1.00 12.45 O ATOM 985 CB LYS A 66 3.407 -13.190 -21.927 1.00 32.13 C ATOM 986 CG LYS A 66 3.113 -12.430 -20.646 1.00 51.20 C ATOM 987 CD LYS A 66 1.654 -12.013 -20.566 1.00 30.43 C ATOM 988 CE LYS A 66 1.255 -11.646 -19.145 1.00 44.02 C ATOM 989 NZ LYS A 66 0.556 -10.331 -19.087 1.00 65.32 N ATOM 0 H LYS A 66 3.731 -14.089 -24.243 1.00 43.14 H new ATOM 0 HA LYS A 66 2.420 -11.742 -23.173 1.00 73.44 H new ATOM 0 HB2 LYS A 66 2.694 -14.008 -22.026 1.00 32.13 H new ATOM 0 HB3 LYS A 66 4.398 -13.638 -21.855 1.00 32.13 H new ATOM 0 HG2 LYS A 66 3.362 -13.053 -19.787 1.00 51.20 H new ATOM 0 HG3 LYS A 66 3.748 -11.546 -20.593 1.00 51.20 H new ATOM 0 HD2 LYS A 66 1.481 -11.162 -21.225 1.00 30.43 H new ATOM 0 HD3 LYS A 66 1.022 -12.826 -20.924 1.00 30.43 H new ATOM 0 HE2 LYS A 66 0.605 -12.421 -18.739 1.00 44.02 H new ATOM 0 HE3 LYS A 66 2.144 -11.613 -18.515 1.00 44.02 H new ATOM 0 HZ1 LYS A 66 0.301 -10.117 -18.102 1.00 65.32 H new ATOM 0 HZ2 LYS A 66 1.185 -9.587 -19.451 1.00 65.32 H new ATOM 0 HZ3 LYS A 66 -0.306 -10.370 -19.667 1.00 65.32 H new ATOM 1003 N TYR A 67 4.271 -10.114 -22.788 1.00 60.42 N ATOM 1004 CA TYR A 67 5.311 -9.093 -22.759 1.00 74.35 C ATOM 1005 C TYR A 67 5.360 -8.404 -21.398 1.00 74.33 C ATOM 1006 O TYR A 67 4.339 -8.259 -20.726 1.00 42.14 O ATOM 1007 CB TYR A 67 5.070 -8.057 -23.859 1.00 72.41 C ATOM 1008 CG TYR A 67 5.406 -8.558 -25.246 1.00 0.12 C ATOM 1009 CD1 TYR A 67 6.714 -8.871 -25.595 1.00 33.21 C ATOM 1010 CD2 TYR A 67 4.415 -8.718 -26.207 1.00 42.02 C ATOM 1011 CE1 TYR A 67 7.026 -9.328 -26.861 1.00 12.20 C ATOM 1012 CE2 TYR A 67 4.718 -9.176 -27.474 1.00 33.43 C ATOM 1013 CZ TYR A 67 6.024 -9.479 -27.798 1.00 44.34 C ATOM 1014 OH TYR A 67 6.329 -9.935 -29.059 1.00 12.31 O ATOM 0 H TYR A 67 3.357 -9.795 -22.467 1.00 60.42 H new ATOM 0 HA TYR A 67 6.269 -9.582 -22.934 1.00 74.35 H new ATOM 0 HB2 TYR A 67 4.024 -7.751 -23.836 1.00 72.41 H new ATOM 0 HB3 TYR A 67 5.667 -7.169 -23.648 1.00 72.41 H new ATOM 0 HD1 TYR A 67 7.500 -8.755 -24.864 1.00 33.21 H new ATOM 0 HD2 TYR A 67 3.391 -8.480 -25.959 1.00 42.02 H new ATOM 0 HE1 TYR A 67 8.048 -9.566 -27.116 1.00 12.20 H new ATOM 0 HE2 TYR A 67 3.935 -9.296 -28.208 1.00 33.43 H new ATOM 0 HH TYR A 67 5.510 -9.985 -29.596 1.00 12.31 H new ATOM 1024 N LYS A 68 6.555 -7.979 -21.000 1.00 22.44 N ATOM 1025 CA LYS A 68 6.739 -7.303 -19.722 1.00 43.20 C ATOM 1026 C LYS A 68 7.123 -5.841 -19.930 1.00 71.32 C ATOM 1027 O LYS A 68 8.230 -5.536 -20.374 1.00 31.35 O ATOM 1028 CB LYS A 68 7.817 -8.012 -18.898 1.00 53.30 C ATOM 1029 CG LYS A 68 8.111 -7.334 -17.571 1.00 64.44 C ATOM 1030 CD LYS A 68 6.887 -7.316 -16.671 1.00 1.43 C ATOM 1031 CE LYS A 68 7.172 -6.602 -15.358 1.00 25.24 C ATOM 1032 NZ LYS A 68 6.436 -7.221 -14.220 1.00 72.32 N ATOM 0 H LYS A 68 7.410 -8.091 -21.545 1.00 22.44 H new ATOM 0 HA LYS A 68 5.794 -7.339 -19.181 1.00 43.20 H new ATOM 0 HB2 LYS A 68 7.503 -9.039 -18.710 1.00 53.30 H new ATOM 0 HB3 LYS A 68 8.736 -8.062 -19.483 1.00 53.30 H new ATOM 0 HG2 LYS A 68 8.926 -7.855 -17.068 1.00 64.44 H new ATOM 0 HG3 LYS A 68 8.447 -6.313 -17.750 1.00 64.44 H new ATOM 0 HD2 LYS A 68 6.063 -6.820 -17.185 1.00 1.43 H new ATOM 0 HD3 LYS A 68 6.567 -8.338 -16.469 1.00 1.43 H new ATOM 0 HE2 LYS A 68 8.243 -6.628 -15.155 1.00 25.24 H new ATOM 0 HE3 LYS A 68 6.889 -5.553 -15.446 1.00 25.24 H new ATOM 0 HZ1 LYS A 68 6.656 -6.707 -13.343 1.00 72.32 H new ATOM 0 HZ2 LYS A 68 5.413 -7.174 -14.401 1.00 72.32 H new ATOM 0 HZ3 LYS A 68 6.724 -8.215 -14.120 1.00 72.32 H new ATOM 1046 N PHE A 69 6.202 -4.940 -19.604 1.00 31.34 N ATOM 1047 CA PHE A 69 6.444 -3.510 -19.755 1.00 24.10 C ATOM 1048 C PHE A 69 6.836 -2.882 -18.421 1.00 14.34 C ATOM 1049 O PHE A 69 6.523 -3.413 -17.356 1.00 31.30 O ATOM 1050 CB PHE A 69 5.199 -2.816 -20.313 1.00 64.52 C ATOM 1051 CG PHE A 69 4.860 -3.230 -21.717 1.00 64.14 C ATOM 1052 CD1 PHE A 69 5.491 -2.638 -22.799 1.00 63.41 C ATOM 1053 CD2 PHE A 69 3.910 -4.211 -21.953 1.00 71.53 C ATOM 1054 CE1 PHE A 69 5.182 -3.017 -24.092 1.00 70.23 C ATOM 1055 CE2 PHE A 69 3.598 -4.595 -23.244 1.00 33.10 C ATOM 1056 CZ PHE A 69 4.234 -3.996 -24.314 1.00 12.04 C ATOM 0 H PHE A 69 5.281 -5.175 -19.234 1.00 31.34 H new ATOM 0 HA PHE A 69 7.269 -3.378 -20.455 1.00 24.10 H new ATOM 0 HB2 PHE A 69 4.350 -3.033 -19.664 1.00 64.52 H new ATOM 0 HB3 PHE A 69 5.352 -1.737 -20.288 1.00 64.52 H new ATOM 0 HD1 PHE A 69 6.233 -1.872 -22.630 1.00 63.41 H new ATOM 0 HD2 PHE A 69 3.408 -4.680 -21.120 1.00 71.53 H new ATOM 0 HE1 PHE A 69 5.681 -2.548 -24.927 1.00 70.23 H new ATOM 0 HE2 PHE A 69 2.858 -5.362 -23.416 1.00 33.10 H new ATOM 0 HZ PHE A 69 3.990 -4.293 -25.323 1.00 12.04 H new ATOM 1066 N GLY A 70 7.524 -1.745 -18.489 1.00 2.12 N ATOM 1067 CA GLY A 70 7.947 -1.063 -17.281 1.00 51.44 C ATOM 1068 C GLY A 70 7.370 0.334 -17.171 1.00 41.34 C ATOM 1069 O GLY A 70 6.599 0.624 -16.256 1.00 62.12 O ATOM 0 H GLY A 70 7.795 -1.286 -19.358 1.00 2.12 H new ATOM 0 HA2 GLY A 70 7.643 -1.647 -16.412 1.00 51.44 H new ATOM 0 HA3 GLY A 70 9.035 -1.006 -17.262 1.00 51.44 H new ATOM 1073 N ARG A 71 7.744 1.203 -18.105 1.00 41.24 N ATOM 1074 CA ARG A 71 7.261 2.578 -18.107 1.00 3.15 C ATOM 1075 C ARG A 71 7.444 3.217 -19.480 1.00 33.50 C ATOM 1076 O ARG A 71 8.411 2.927 -20.186 1.00 1.52 O ATOM 1077 CB ARG A 71 7.995 3.402 -17.047 1.00 21.13 C ATOM 1078 CG ARG A 71 7.264 3.474 -15.716 1.00 73.51 C ATOM 1079 CD ARG A 71 6.937 4.909 -15.337 1.00 50.23 C ATOM 1080 NE ARG A 71 7.997 5.519 -14.540 1.00 51.40 N ATOM 1081 CZ ARG A 71 7.963 6.776 -14.110 1.00 41.31 C ATOM 1082 NH1 ARG A 71 6.926 7.551 -14.399 1.00 43.12 N ATOM 1083 NH2 ARG A 71 8.965 7.260 -13.388 1.00 75.44 N ATOM 0 H ARG A 71 8.380 0.979 -18.870 1.00 41.24 H new ATOM 0 HA ARG A 71 6.197 2.562 -17.872 1.00 3.15 H new ATOM 0 HB2 ARG A 71 8.984 2.973 -16.886 1.00 21.13 H new ATOM 0 HB3 ARG A 71 8.144 4.413 -17.425 1.00 21.13 H new ATOM 0 HG2 ARG A 71 6.344 2.893 -15.773 1.00 73.51 H new ATOM 0 HG3 ARG A 71 7.878 3.022 -14.937 1.00 73.51 H new ATOM 0 HD2 ARG A 71 6.780 5.496 -16.242 1.00 50.23 H new ATOM 0 HD3 ARG A 71 6.003 4.932 -14.776 1.00 50.23 H new ATOM 0 HE ARG A 71 8.808 4.949 -14.300 1.00 51.40 H new ATOM 0 HH11 ARG A 71 6.152 7.182 -14.952 1.00 43.12 H new ATOM 0 HH12 ARG A 71 6.902 8.515 -14.068 1.00 43.12 H new ATOM 0 HH21 ARG A 71 9.764 6.667 -13.162 1.00 75.44 H new ATOM 0 HH22 ARG A 71 8.937 8.225 -13.059 1.00 75.44 H new ATOM 1097 N TRP A 72 6.511 4.085 -19.852 1.00 22.11 N ATOM 1098 CA TRP A 72 6.569 4.764 -21.142 1.00 60.32 C ATOM 1099 C TRP A 72 7.707 5.779 -21.171 1.00 60.02 C ATOM 1100 O TRP A 72 8.051 6.308 -22.227 1.00 72.45 O ATOM 1101 CB TRP A 72 5.240 5.461 -21.436 1.00 41.12 C ATOM 1102 CG TRP A 72 4.314 4.640 -22.280 1.00 0.14 C ATOM 1103 CD1 TRP A 72 3.060 4.212 -21.944 1.00 60.24 C ATOM 1104 CD2 TRP A 72 4.567 4.147 -23.600 1.00 12.43 C ATOM 1105 NE1 TRP A 72 2.520 3.482 -22.975 1.00 52.22 N ATOM 1106 CE2 TRP A 72 3.424 3.429 -24.003 1.00 52.01 C ATOM 1107 CE3 TRP A 72 5.647 4.245 -24.482 1.00 44.41 C ATOM 1108 CZ2 TRP A 72 3.333 2.812 -25.248 1.00 61.24 C ATOM 1109 CZ3 TRP A 72 5.555 3.631 -25.717 1.00 71.02 C ATOM 1110 CH2 TRP A 72 4.406 2.924 -26.091 1.00 23.00 C ATOM 0 H TRP A 72 5.705 4.336 -19.279 1.00 22.11 H new ATOM 0 HA TRP A 72 6.755 4.014 -21.911 1.00 60.32 H new ATOM 0 HB2 TRP A 72 4.746 5.699 -20.494 1.00 41.12 H new ATOM 0 HB3 TRP A 72 5.438 6.407 -21.940 1.00 41.12 H new ATOM 0 HD1 TRP A 72 2.566 4.418 -21.006 1.00 60.24 H new ATOM 0 HE1 TRP A 72 1.596 3.050 -22.975 1.00 52.22 H new ATOM 0 HE3 TRP A 72 6.537 4.790 -24.204 1.00 44.41 H new ATOM 0 HZ2 TRP A 72 2.448 2.265 -25.538 1.00 61.24 H new ATOM 0 HZ3 TRP A 72 6.384 3.698 -26.406 1.00 71.02 H new ATOM 0 HH2 TRP A 72 4.365 2.457 -27.064 1.00 23.00 H new ATOM 1121 N ALA A 73 8.287 6.046 -20.006 1.00 3.33 N ATOM 1122 CA ALA A 73 9.387 6.996 -19.899 1.00 30.42 C ATOM 1123 C ALA A 73 8.937 8.402 -20.279 1.00 35.44 C ATOM 1124 O ALA A 73 7.787 8.613 -20.666 1.00 64.43 O ATOM 1125 CB ALA A 73 10.551 6.556 -20.775 1.00 11.15 C ATOM 0 H ALA A 73 8.013 5.617 -19.122 1.00 3.33 H new ATOM 0 HA ALA A 73 9.717 7.018 -18.860 1.00 30.42 H new ATOM 0 HB1 ALA A 73 11.366 7.275 -20.686 1.00 11.15 H new ATOM 0 HB2 ALA A 73 10.897 5.573 -20.454 1.00 11.15 H new ATOM 0 HB3 ALA A 73 10.225 6.504 -21.814 1.00 11.15 H new ATOM 1131 N GLU A 74 9.850 9.362 -20.167 1.00 74.41 N ATOM 1132 CA GLU A 74 9.545 10.748 -20.500 1.00 10.35 C ATOM 1133 C GLU A 74 9.940 11.063 -21.940 1.00 3.23 C ATOM 1134 O GLU A 74 10.539 10.236 -22.626 1.00 61.45 O ATOM 1135 CB GLU A 74 10.270 11.696 -19.542 1.00 12.43 C ATOM 1136 CG GLU A 74 9.764 11.619 -18.112 1.00 45.54 C ATOM 1137 CD GLU A 74 8.926 12.822 -17.722 1.00 13.11 C ATOM 1138 OE1 GLU A 74 8.218 13.358 -18.600 1.00 4.53 O ATOM 1139 OE2 GLU A 74 8.979 13.226 -16.542 1.00 51.21 O ATOM 0 H GLU A 74 10.806 9.205 -19.848 1.00 74.41 H new ATOM 0 HA GLU A 74 8.469 10.891 -20.398 1.00 10.35 H new ATOM 0 HB2 GLU A 74 11.336 11.467 -19.554 1.00 12.43 H new ATOM 0 HB3 GLU A 74 10.160 12.719 -19.903 1.00 12.43 H new ATOM 0 HG2 GLU A 74 9.171 10.713 -17.989 1.00 45.54 H new ATOM 0 HG3 GLU A 74 10.614 11.538 -17.434 1.00 45.54 H new ATOM 1146 N CYS A 75 9.597 12.265 -22.391 1.00 74.43 N ATOM 1147 CA CYS A 75 9.914 12.690 -23.750 1.00 5.43 C ATOM 1148 C CYS A 75 11.226 13.469 -23.784 1.00 1.24 C ATOM 1149 O CYS A 75 11.357 14.512 -23.144 1.00 32.11 O ATOM 1150 CB CYS A 75 8.782 13.552 -24.314 1.00 62.15 C ATOM 1151 SG CYS A 75 7.458 12.600 -25.125 1.00 35.13 S ATOM 0 H CYS A 75 9.100 12.962 -21.836 1.00 74.43 H new ATOM 0 HA CYS A 75 10.025 11.798 -24.367 1.00 5.43 H new ATOM 0 HB2 CYS A 75 8.349 14.140 -23.505 1.00 62.15 H new ATOM 0 HB3 CYS A 75 9.200 14.258 -25.032 1.00 62.15 H new ATOM 1157 N ASP A 76 12.193 12.954 -24.535 1.00 24.23 N ATOM 1158 CA ASP A 76 13.495 13.601 -24.655 1.00 1.33 C ATOM 1159 C ASP A 76 13.392 14.880 -25.478 1.00 54.11 C ATOM 1160 O ASP A 76 12.717 14.918 -26.508 1.00 65.53 O ATOM 1161 CB ASP A 76 14.505 12.647 -25.295 1.00 41.33 C ATOM 1162 CG ASP A 76 15.896 12.802 -24.713 1.00 55.30 C ATOM 1163 OD1 ASP A 76 16.049 12.629 -23.486 1.00 72.04 O ATOM 1164 OD2 ASP A 76 16.832 13.097 -25.486 1.00 63.35 O ATOM 0 H ASP A 76 12.100 12.090 -25.070 1.00 24.23 H new ATOM 0 HA ASP A 76 13.838 13.862 -23.654 1.00 1.33 H new ATOM 0 HB2 ASP A 76 14.169 11.620 -25.156 1.00 41.33 H new ATOM 0 HB3 ASP A 76 14.541 12.828 -26.369 1.00 41.33 H new ATOM 1169 N THR A 77 14.065 15.930 -25.017 1.00 55.31 N ATOM 1170 CA THR A 77 14.048 17.214 -25.709 1.00 21.42 C ATOM 1171 C THR A 77 14.616 17.086 -27.117 1.00 70.44 C ATOM 1172 O THR A 77 14.402 17.952 -27.966 1.00 23.40 O ATOM 1173 CB THR A 77 14.849 18.278 -24.938 1.00 53.13 C ATOM 1174 OG1 THR A 77 15.907 17.656 -24.199 1.00 3.24 O ATOM 1175 CG2 THR A 77 13.948 19.053 -23.989 1.00 10.23 C ATOM 0 H THR A 77 14.629 15.917 -24.167 1.00 55.31 H new ATOM 0 HA THR A 77 13.006 17.528 -25.768 1.00 21.42 H new ATOM 0 HB THR A 77 15.273 18.975 -25.661 1.00 53.13 H new ATOM 0 HG1 THR A 77 16.413 18.340 -23.713 1.00 3.24 H new ATOM 0 HG21 THR A 77 14.537 19.799 -23.456 1.00 10.23 H new ATOM 0 HG22 THR A 77 13.162 19.550 -24.558 1.00 10.23 H new ATOM 0 HG23 THR A 77 13.498 18.366 -23.272 1.00 10.23 H new ATOM 1183 N THR A 78 15.344 15.999 -27.361 1.00 13.14 N ATOM 1184 CA THR A 78 15.944 15.759 -28.667 1.00 74.34 C ATOM 1185 C THR A 78 14.891 15.785 -29.769 1.00 61.44 C ATOM 1186 O THR A 78 14.784 16.757 -30.516 1.00 35.44 O ATOM 1187 CB THR A 78 16.680 14.406 -28.707 1.00 3.55 C ATOM 1188 OG1 THR A 78 17.755 14.405 -27.761 1.00 50.12 O ATOM 1189 CG2 THR A 78 17.222 14.124 -30.099 1.00 15.45 C ATOM 0 H THR A 78 15.532 15.272 -26.671 1.00 13.14 H new ATOM 0 HA THR A 78 16.663 16.560 -28.837 1.00 74.34 H new ATOM 0 HB THR A 78 15.968 13.623 -28.448 1.00 3.55 H new ATOM 0 HG1 THR A 78 17.468 13.952 -26.940 1.00 50.12 H new ATOM 0 HG21 THR A 78 17.737 13.163 -30.101 1.00 15.45 H new ATOM 0 HG22 THR A 78 16.398 14.095 -30.812 1.00 15.45 H new ATOM 0 HG23 THR A 78 17.920 14.911 -30.384 1.00 15.45 H new ATOM 1197 N THR A 79 14.116 14.709 -29.865 1.00 15.12 N ATOM 1198 CA THR A 79 13.072 14.608 -30.877 1.00 31.42 C ATOM 1199 C THR A 79 11.694 14.854 -30.272 1.00 25.12 C ATOM 1200 O THR A 79 10.715 15.051 -30.991 1.00 23.30 O ATOM 1201 CB THR A 79 13.082 13.228 -31.559 1.00 24.40 C ATOM 1202 OG1 THR A 79 14.395 12.931 -32.048 1.00 44.41 O ATOM 1203 CG2 THR A 79 12.086 13.184 -32.709 1.00 61.13 C ATOM 0 H THR A 79 14.192 13.896 -29.254 1.00 15.12 H new ATOM 0 HA THR A 79 13.280 15.375 -31.623 1.00 31.42 H new ATOM 0 HB THR A 79 12.793 12.481 -30.819 1.00 24.40 H new ATOM 0 HG1 THR A 79 14.392 12.051 -32.479 1.00 44.41 H new ATOM 0 HG21 THR A 79 12.112 12.199 -33.175 1.00 61.13 H new ATOM 0 HG22 THR A 79 11.083 13.380 -32.329 1.00 61.13 H new ATOM 0 HG23 THR A 79 12.349 13.942 -33.447 1.00 61.13 H new ATOM 1211 N GLY A 80 11.625 14.840 -28.944 1.00 12.53 N ATOM 1212 CA GLY A 80 10.362 15.064 -28.265 1.00 24.21 C ATOM 1213 C GLY A 80 9.460 13.847 -28.306 1.00 25.04 C ATOM 1214 O GLY A 80 8.315 13.928 -28.755 1.00 61.44 O ATOM 0 H GLY A 80 12.421 14.678 -28.327 1.00 12.53 H new ATOM 0 HA2 GLY A 80 10.554 15.336 -27.227 1.00 24.21 H new ATOM 0 HA3 GLY A 80 9.850 15.908 -28.726 1.00 24.21 H new ATOM 1218 N THR A 81 9.973 12.714 -27.836 1.00 35.33 N ATOM 1219 CA THR A 81 9.206 11.474 -27.825 1.00 70.11 C ATOM 1220 C THR A 81 9.647 10.567 -26.682 1.00 72.44 C ATOM 1221 O THR A 81 10.777 10.661 -26.202 1.00 74.33 O ATOM 1222 CB THR A 81 9.350 10.712 -29.156 1.00 2.32 C ATOM 1223 OG1 THR A 81 10.460 9.810 -29.087 1.00 42.33 O ATOM 1224 CG2 THR A 81 9.546 11.678 -30.315 1.00 2.53 C ATOM 0 H THR A 81 10.917 12.630 -27.458 1.00 35.33 H new ATOM 0 HA THR A 81 8.161 11.749 -27.685 1.00 70.11 H new ATOM 0 HB THR A 81 8.434 10.147 -29.326 1.00 2.32 H new ATOM 0 HG1 THR A 81 10.544 9.328 -29.936 1.00 42.33 H new ATOM 0 HG21 THR A 81 9.645 11.116 -31.244 1.00 2.53 H new ATOM 0 HG22 THR A 81 8.685 12.344 -30.383 1.00 2.53 H new ATOM 0 HG23 THR A 81 10.448 12.267 -30.149 1.00 2.53 H new ATOM 1232 N ARG A 82 8.749 9.688 -26.251 1.00 2.01 N ATOM 1233 CA ARG A 82 9.045 8.762 -25.163 1.00 55.45 C ATOM 1234 C ARG A 82 8.906 7.316 -25.626 1.00 75.50 C ATOM 1235 O ARG A 82 7.860 6.915 -26.138 1.00 14.21 O ATOM 1236 CB ARG A 82 8.115 9.021 -23.977 1.00 41.01 C ATOM 1237 CG ARG A 82 6.647 8.781 -24.291 1.00 51.40 C ATOM 1238 CD ARG A 82 5.742 9.472 -23.283 1.00 25.54 C ATOM 1239 NE ARG A 82 4.381 9.632 -23.789 1.00 55.23 N ATOM 1240 CZ ARG A 82 3.361 10.037 -23.041 1.00 44.24 C ATOM 1241 NH1 ARG A 82 3.547 10.321 -21.759 1.00 55.04 N ATOM 1242 NH2 ARG A 82 2.153 10.159 -23.573 1.00 34.14 N ATOM 0 H ARG A 82 7.810 9.597 -26.638 1.00 2.01 H new ATOM 0 HA ARG A 82 10.076 8.927 -24.850 1.00 55.45 H new ATOM 0 HB2 ARG A 82 8.410 8.379 -23.147 1.00 41.01 H new ATOM 0 HB3 ARG A 82 8.243 10.051 -23.644 1.00 41.01 H new ATOM 0 HG2 ARG A 82 6.424 9.147 -25.293 1.00 51.40 H new ATOM 0 HG3 ARG A 82 6.444 7.710 -24.290 1.00 51.40 H new ATOM 0 HD2 ARG A 82 5.720 8.893 -22.359 1.00 25.54 H new ATOM 0 HD3 ARG A 82 6.154 10.450 -23.036 1.00 25.54 H new ATOM 0 HE ARG A 82 4.204 9.421 -24.771 1.00 55.23 H new ATOM 0 HH11 ARG A 82 4.475 10.229 -21.346 1.00 55.04 H new ATOM 0 HH12 ARG A 82 2.762 10.632 -21.186 1.00 55.04 H new ATOM 0 HH21 ARG A 82 2.005 9.942 -24.559 1.00 34.14 H new ATOM 0 HH22 ARG A 82 1.371 10.470 -22.997 1.00 34.14 H new ATOM 1256 N SER A 83 9.968 6.536 -25.445 1.00 31.00 N ATOM 1257 CA SER A 83 9.965 5.135 -25.849 1.00 52.04 C ATOM 1258 C SER A 83 10.083 4.220 -24.634 1.00 2.32 C ATOM 1259 O SER A 83 10.568 4.630 -23.580 1.00 24.23 O ATOM 1260 CB SER A 83 11.114 4.861 -26.822 1.00 45.20 C ATOM 1261 OG SER A 83 12.367 5.151 -26.227 1.00 44.30 O ATOM 0 H SER A 83 10.841 6.851 -25.021 1.00 31.00 H new ATOM 0 HA SER A 83 9.018 4.927 -26.348 1.00 52.04 H new ATOM 0 HB2 SER A 83 11.089 3.817 -27.134 1.00 45.20 H new ATOM 0 HB3 SER A 83 10.986 5.465 -27.720 1.00 45.20 H new ATOM 0 HG SER A 83 13.084 4.966 -26.868 1.00 44.30 H new ATOM 1267 N ARG A 84 9.634 2.978 -24.791 1.00 41.42 N ATOM 1268 CA ARG A 84 9.687 2.004 -23.708 1.00 40.24 C ATOM 1269 C ARG A 84 10.188 0.655 -24.214 1.00 5.51 C ATOM 1270 O ARG A 84 9.893 0.256 -25.340 1.00 35.53 O ATOM 1271 CB ARG A 84 8.305 1.842 -23.071 1.00 72.23 C ATOM 1272 CG ARG A 84 8.185 0.615 -22.182 1.00 12.13 C ATOM 1273 CD ARG A 84 6.795 0.502 -21.574 1.00 74.44 C ATOM 1274 NE ARG A 84 5.750 0.517 -22.594 1.00 2.21 N ATOM 1275 CZ ARG A 84 4.456 0.393 -22.320 1.00 21.44 C ATOM 1276 NH1 ARG A 84 4.051 0.244 -21.067 1.00 11.41 N ATOM 1277 NH2 ARG A 84 3.564 0.415 -23.303 1.00 2.43 N ATOM 0 H ARG A 84 9.230 2.623 -25.658 1.00 41.42 H new ATOM 0 HA ARG A 84 10.385 2.372 -22.956 1.00 40.24 H new ATOM 0 HB2 ARG A 84 8.079 2.731 -22.482 1.00 72.23 H new ATOM 0 HB3 ARG A 84 7.555 1.784 -23.860 1.00 72.23 H new ATOM 0 HG2 ARG A 84 8.403 -0.280 -22.764 1.00 12.13 H new ATOM 0 HG3 ARG A 84 8.928 0.666 -21.386 1.00 12.13 H new ATOM 0 HD2 ARG A 84 6.725 -0.420 -20.997 1.00 74.44 H new ATOM 0 HD3 ARG A 84 6.635 1.326 -20.879 1.00 74.44 H new ATOM 0 HE ARG A 84 6.029 0.629 -23.569 1.00 2.21 H new ATOM 0 HH11 ARG A 84 4.734 0.224 -20.309 1.00 11.41 H new ATOM 0 HH12 ARG A 84 3.057 0.149 -20.860 1.00 11.41 H new ATOM 0 HH21 ARG A 84 3.872 0.527 -24.269 1.00 2.43 H new ATOM 0 HH22 ARG A 84 2.571 0.320 -23.092 1.00 2.43 H new ATOM 1291 N SER A 85 10.945 -0.043 -23.374 1.00 64.24 N ATOM 1292 CA SER A 85 11.490 -1.346 -23.738 1.00 62.10 C ATOM 1293 C SER A 85 10.947 -2.437 -22.820 1.00 3.23 C ATOM 1294 O SER A 85 11.037 -2.337 -21.597 1.00 24.14 O ATOM 1295 CB SER A 85 13.018 -1.321 -23.669 1.00 14.43 C ATOM 1296 OG SER A 85 13.541 -2.620 -23.457 1.00 30.35 O ATOM 0 H SER A 85 11.195 0.272 -22.437 1.00 64.24 H new ATOM 0 HA SER A 85 11.183 -1.568 -24.760 1.00 62.10 H new ATOM 0 HB2 SER A 85 13.420 -0.911 -24.595 1.00 14.43 H new ATOM 0 HB3 SER A 85 13.338 -0.661 -22.863 1.00 14.43 H new ATOM 0 HG SER A 85 14.519 -2.576 -23.418 1.00 30.35 H new ATOM 1302 N GLY A 86 10.382 -3.480 -23.420 1.00 32.41 N ATOM 1303 CA GLY A 86 9.832 -4.576 -22.643 1.00 15.54 C ATOM 1304 C GLY A 86 10.592 -5.871 -22.850 1.00 4.41 C ATOM 1305 O GLY A 86 11.131 -6.120 -23.929 1.00 15.43 O ATOM 0 H GLY A 86 10.295 -3.586 -24.431 1.00 32.41 H new ATOM 0 HA2 GLY A 86 9.850 -4.313 -21.585 1.00 15.54 H new ATOM 0 HA3 GLY A 86 8.787 -4.723 -22.917 1.00 15.54 H new ATOM 1309 N THR A 87 10.637 -6.700 -21.812 1.00 43.40 N ATOM 1310 CA THR A 87 11.339 -7.976 -21.882 1.00 31.24 C ATOM 1311 C THR A 87 10.366 -9.126 -22.116 1.00 14.12 C ATOM 1312 O THR A 87 9.204 -9.062 -21.712 1.00 73.21 O ATOM 1313 CB THR A 87 12.139 -8.249 -20.595 1.00 22.54 C ATOM 1314 OG1 THR A 87 11.252 -8.325 -19.474 1.00 23.42 O ATOM 1315 CG2 THR A 87 13.172 -7.157 -20.359 1.00 4.25 C ATOM 0 H THR A 87 10.195 -6.511 -20.912 1.00 43.40 H new ATOM 0 HA THR A 87 12.030 -7.911 -22.723 1.00 31.24 H new ATOM 0 HB THR A 87 12.659 -9.200 -20.711 1.00 22.54 H new ATOM 0 HG1 THR A 87 11.768 -8.501 -18.660 1.00 23.42 H new ATOM 0 HG21 THR A 87 13.725 -7.371 -19.444 1.00 4.25 H new ATOM 0 HG22 THR A 87 13.863 -7.122 -21.201 1.00 4.25 H new ATOM 0 HG23 THR A 87 12.669 -6.195 -20.262 1.00 4.25 H new ATOM 1323 N LEU A 88 10.846 -10.178 -22.770 1.00 50.05 N ATOM 1324 CA LEU A 88 10.018 -11.344 -23.058 1.00 45.24 C ATOM 1325 C LEU A 88 9.594 -12.041 -21.768 1.00 1.23 C ATOM 1326 O LEU A 88 10.370 -12.141 -20.818 1.00 53.35 O ATOM 1327 CB LEU A 88 10.777 -12.325 -23.954 1.00 52.44 C ATOM 1328 CG LEU A 88 9.937 -13.081 -24.983 1.00 3.24 C ATOM 1329 CD1 LEU A 88 9.063 -14.121 -24.298 1.00 45.13 C ATOM 1330 CD2 LEU A 88 9.084 -12.114 -25.791 1.00 43.42 C ATOM 0 H LEU A 88 11.805 -10.248 -23.111 1.00 50.05 H new ATOM 0 HA LEU A 88 9.123 -11.004 -23.579 1.00 45.24 H new ATOM 0 HB2 LEU A 88 11.555 -11.775 -24.483 1.00 52.44 H new ATOM 0 HB3 LEU A 88 11.278 -13.054 -23.318 1.00 52.44 H new ATOM 0 HG LEU A 88 10.612 -13.596 -25.666 1.00 3.24 H new ATOM 0 HD11 LEU A 88 8.472 -14.649 -25.046 1.00 45.13 H new ATOM 0 HD12 LEU A 88 9.694 -14.832 -23.765 1.00 45.13 H new ATOM 0 HD13 LEU A 88 8.396 -13.627 -23.591 1.00 45.13 H new ATOM 0 HD21 LEU A 88 8.493 -12.671 -26.518 1.00 43.42 H new ATOM 0 HD22 LEU A 88 8.417 -11.570 -25.122 1.00 43.42 H new ATOM 0 HD23 LEU A 88 9.730 -11.408 -26.313 1.00 43.42 H new ATOM 1342 N LYS A 89 8.356 -12.523 -21.743 1.00 65.11 N ATOM 1343 CA LYS A 89 7.827 -13.214 -20.573 1.00 3.30 C ATOM 1344 C LYS A 89 7.558 -14.683 -20.884 1.00 62.03 C ATOM 1345 O LYS A 89 8.054 -15.574 -20.194 1.00 25.55 O ATOM 1346 CB LYS A 89 6.539 -12.540 -20.096 1.00 50.54 C ATOM 1347 CG LYS A 89 5.899 -13.226 -18.903 1.00 25.33 C ATOM 1348 CD LYS A 89 6.854 -13.302 -17.723 1.00 2.25 C ATOM 1349 CE LYS A 89 6.132 -13.706 -16.446 1.00 1.24 C ATOM 1350 NZ LYS A 89 7.072 -14.243 -15.424 1.00 71.41 N ATOM 0 H LYS A 89 7.700 -12.448 -22.520 1.00 65.11 H new ATOM 0 HA LYS A 89 8.574 -13.159 -19.781 1.00 3.30 H new ATOM 0 HB2 LYS A 89 6.756 -11.504 -19.835 1.00 50.54 H new ATOM 0 HB3 LYS A 89 5.824 -12.519 -20.919 1.00 50.54 H new ATOM 0 HG2 LYS A 89 5.000 -12.684 -18.610 1.00 25.33 H new ATOM 0 HG3 LYS A 89 5.587 -14.232 -19.185 1.00 25.33 H new ATOM 0 HD2 LYS A 89 7.644 -14.021 -17.939 1.00 2.25 H new ATOM 0 HD3 LYS A 89 7.335 -12.334 -17.580 1.00 2.25 H new ATOM 0 HE2 LYS A 89 5.606 -12.843 -16.038 1.00 1.24 H new ATOM 0 HE3 LYS A 89 5.378 -14.459 -16.677 1.00 1.24 H new ATOM 0 HZ1 LYS A 89 6.542 -14.507 -14.569 1.00 71.41 H new ATOM 0 HZ2 LYS A 89 7.556 -15.082 -15.804 1.00 71.41 H new ATOM 0 HZ3 LYS A 89 7.776 -13.516 -15.184 1.00 71.41 H new ATOM 1364 N LYS A 90 6.773 -14.928 -21.926 1.00 33.43 N ATOM 1365 CA LYS A 90 6.441 -16.290 -22.331 1.00 11.40 C ATOM 1366 C LYS A 90 5.986 -16.328 -23.787 1.00 62.52 C ATOM 1367 O LYS A 90 5.449 -15.351 -24.305 1.00 11.13 O ATOM 1368 CB LYS A 90 5.345 -16.859 -21.428 1.00 41.30 C ATOM 1369 CG LYS A 90 3.938 -16.544 -21.906 1.00 32.11 C ATOM 1370 CD LYS A 90 2.989 -16.323 -20.740 1.00 13.01 C ATOM 1371 CE LYS A 90 1.557 -16.673 -21.113 1.00 22.20 C ATOM 1372 NZ LYS A 90 0.653 -15.493 -21.015 1.00 72.23 N ATOM 0 H LYS A 90 6.354 -14.202 -22.507 1.00 33.43 H new ATOM 0 HA LYS A 90 7.338 -16.901 -22.233 1.00 11.40 H new ATOM 0 HB2 LYS A 90 5.464 -17.941 -21.364 1.00 41.30 H new ATOM 0 HB3 LYS A 90 5.474 -16.464 -20.421 1.00 41.30 H new ATOM 0 HG2 LYS A 90 3.957 -15.654 -22.534 1.00 32.11 H new ATOM 0 HG3 LYS A 90 3.571 -17.363 -22.525 1.00 32.11 H new ATOM 0 HD2 LYS A 90 3.304 -16.931 -19.892 1.00 13.01 H new ATOM 0 HD3 LYS A 90 3.039 -15.282 -20.421 1.00 13.01 H new ATOM 0 HE2 LYS A 90 1.532 -17.066 -22.129 1.00 22.20 H new ATOM 0 HE3 LYS A 90 1.194 -17.464 -20.457 1.00 22.20 H new ATOM 0 HZ1 LYS A 90 -0.329 -15.816 -20.906 1.00 72.23 H new ATOM 0 HZ2 LYS A 90 0.922 -14.917 -20.191 1.00 72.23 H new ATOM 0 HZ3 LYS A 90 0.735 -14.920 -21.879 1.00 72.23 H new ATOM 1386 N ALA A 91 6.204 -17.465 -24.440 1.00 70.21 N ATOM 1387 CA ALA A 91 5.813 -17.632 -25.834 1.00 34.22 C ATOM 1388 C ALA A 91 4.706 -18.672 -25.973 1.00 14.02 C ATOM 1389 O ALA A 91 4.535 -19.531 -25.107 1.00 12.22 O ATOM 1390 CB ALA A 91 7.018 -18.025 -26.677 1.00 5.01 C ATOM 0 H ALA A 91 6.649 -18.284 -24.026 1.00 70.21 H new ATOM 0 HA ALA A 91 5.427 -16.678 -26.194 1.00 34.22 H new ATOM 0 HB1 ALA A 91 6.711 -18.146 -27.716 1.00 5.01 H new ATOM 0 HB2 ALA A 91 7.778 -17.246 -26.612 1.00 5.01 H new ATOM 0 HB3 ALA A 91 7.429 -18.965 -26.308 1.00 5.01 H new ATOM 1396 N LEU A 92 3.957 -18.587 -27.066 1.00 22.13 N ATOM 1397 CA LEU A 92 2.864 -19.521 -27.318 1.00 60.12 C ATOM 1398 C LEU A 92 2.660 -19.728 -28.815 1.00 32.53 C ATOM 1399 O LEU A 92 3.028 -20.767 -29.366 1.00 64.04 O ATOM 1400 CB LEU A 92 1.571 -19.008 -26.683 1.00 45.33 C ATOM 1401 CG LEU A 92 1.592 -18.841 -25.163 1.00 25.13 C ATOM 1402 CD1 LEU A 92 0.398 -18.020 -24.700 1.00 4.40 C ATOM 1403 CD2 LEU A 92 1.604 -20.200 -24.477 1.00 14.22 C ATOM 0 H LEU A 92 4.086 -17.882 -27.792 1.00 22.13 H new ATOM 0 HA LEU A 92 3.127 -20.479 -26.869 1.00 60.12 H new ATOM 0 HB2 LEU A 92 1.326 -18.045 -27.131 1.00 45.33 H new ATOM 0 HB3 LEU A 92 0.765 -19.694 -26.942 1.00 45.33 H new ATOM 0 HG LEU A 92 2.503 -18.309 -24.888 1.00 25.13 H new ATOM 0 HD11 LEU A 92 0.429 -17.911 -23.616 1.00 4.40 H new ATOM 0 HD12 LEU A 92 0.432 -17.034 -25.164 1.00 4.40 H new ATOM 0 HD13 LEU A 92 -0.524 -18.525 -24.987 1.00 4.40 H new ATOM 0 HD21 LEU A 92 1.619 -20.062 -23.396 1.00 14.22 H new ATOM 0 HD22 LEU A 92 0.711 -20.758 -24.759 1.00 14.22 H new ATOM 0 HD23 LEU A 92 2.491 -20.755 -24.784 1.00 14.22 H new ATOM 1415 N PHE A 93 2.072 -18.734 -29.471 1.00 15.32 N ATOM 1416 CA PHE A 93 1.820 -18.806 -30.905 1.00 13.01 C ATOM 1417 C PHE A 93 2.747 -17.864 -31.669 1.00 23.34 C ATOM 1418 O PHE A 93 3.707 -17.335 -31.112 1.00 23.41 O ATOM 1419 CB PHE A 93 0.361 -18.457 -31.207 1.00 4.21 C ATOM 1420 CG PHE A 93 -0.626 -19.287 -30.435 1.00 62.02 C ATOM 1421 CD1 PHE A 93 -0.935 -18.974 -29.120 1.00 34.52 C ATOM 1422 CD2 PHE A 93 -1.242 -20.379 -31.023 1.00 45.43 C ATOM 1423 CE1 PHE A 93 -1.842 -19.735 -28.407 1.00 10.13 C ATOM 1424 CE2 PHE A 93 -2.151 -21.143 -30.314 1.00 61.32 C ATOM 1425 CZ PHE A 93 -2.450 -20.822 -29.005 1.00 70.24 C ATOM 0 H PHE A 93 1.761 -17.868 -29.032 1.00 15.32 H new ATOM 0 HA PHE A 93 2.018 -19.827 -31.231 1.00 13.01 H new ATOM 0 HB2 PHE A 93 0.193 -17.404 -30.981 1.00 4.21 H new ATOM 0 HB3 PHE A 93 0.178 -18.587 -32.274 1.00 4.21 H new ATOM 0 HD1 PHE A 93 -0.462 -18.126 -28.648 1.00 34.52 H new ATOM 0 HD2 PHE A 93 -1.010 -20.637 -32.046 1.00 45.43 H new ATOM 0 HE1 PHE A 93 -2.075 -19.480 -27.384 1.00 10.13 H new ATOM 0 HE2 PHE A 93 -2.627 -21.991 -30.784 1.00 61.32 H new ATOM 0 HZ PHE A 93 -3.158 -21.419 -28.450 1.00 70.24 H new ATOM 1435 N ASN A 94 2.452 -17.663 -32.950 1.00 3.21 N ATOM 1436 CA ASN A 94 3.259 -16.787 -33.791 1.00 22.21 C ATOM 1437 C ASN A 94 4.652 -17.370 -34.003 1.00 34.30 C ATOM 1438 O ASN A 94 5.561 -16.680 -34.464 1.00 65.14 O ATOM 1439 CB ASN A 94 3.367 -15.397 -33.160 1.00 35.14 C ATOM 1440 CG ASN A 94 3.367 -14.290 -34.198 1.00 24.34 C ATOM 1441 OD1 ASN A 94 4.278 -13.463 -34.238 1.00 4.24 O ATOM 1442 ND2 ASN A 94 2.343 -14.271 -35.043 1.00 64.21 N ATOM 0 H ASN A 94 1.661 -18.095 -33.427 1.00 3.21 H new ATOM 0 HA ASN A 94 2.768 -16.702 -34.760 1.00 22.21 H new ATOM 0 HB2 ASN A 94 2.534 -15.247 -32.473 1.00 35.14 H new ATOM 0 HB3 ASN A 94 4.282 -15.339 -32.570 1.00 35.14 H new ATOM 0 HD21 ASN A 94 2.289 -13.550 -35.763 1.00 64.21 H new ATOM 0 HD22 ASN A 94 1.610 -14.977 -34.972 1.00 64.21 H new ATOM 1449 N ALA A 95 4.812 -18.646 -33.666 1.00 42.03 N ATOM 1450 CA ALA A 95 6.094 -19.323 -33.823 1.00 1.23 C ATOM 1451 C ALA A 95 7.132 -18.760 -32.859 1.00 65.23 C ATOM 1452 O ALA A 95 7.421 -19.361 -31.824 1.00 52.20 O ATOM 1453 CB ALA A 95 6.583 -19.202 -35.259 1.00 4.43 C ATOM 0 H ALA A 95 4.070 -19.232 -33.283 1.00 42.03 H new ATOM 0 HA ALA A 95 5.952 -20.378 -33.588 1.00 1.23 H new ATOM 0 HB1 ALA A 95 7.541 -19.712 -35.361 1.00 4.43 H new ATOM 0 HB2 ALA A 95 5.856 -19.658 -35.931 1.00 4.43 H new ATOM 0 HB3 ALA A 95 6.703 -18.149 -35.515 1.00 4.43 H new ATOM 1459 N GLU A 96 7.692 -17.606 -33.206 1.00 14.24 N ATOM 1460 CA GLU A 96 8.701 -16.964 -32.371 1.00 64.23 C ATOM 1461 C GLU A 96 8.468 -15.459 -32.295 1.00 11.24 C ATOM 1462 O GLU A 96 8.428 -14.773 -33.317 1.00 1.43 O ATOM 1463 CB GLU A 96 10.102 -17.248 -32.916 1.00 34.22 C ATOM 1464 CG GLU A 96 10.302 -16.784 -34.350 1.00 61.33 C ATOM 1465 CD GLU A 96 10.899 -17.862 -35.234 1.00 62.42 C ATOM 1466 OE1 GLU A 96 10.202 -18.863 -35.502 1.00 1.40 O ATOM 1467 OE2 GLU A 96 12.064 -17.705 -35.656 1.00 70.51 O ATOM 0 H GLU A 96 7.464 -17.096 -34.060 1.00 14.24 H new ATOM 0 HA GLU A 96 8.620 -17.377 -31.366 1.00 64.23 H new ATOM 0 HB2 GLU A 96 10.837 -16.758 -32.278 1.00 34.22 H new ATOM 0 HB3 GLU A 96 10.295 -18.319 -32.859 1.00 34.22 H new ATOM 0 HG2 GLU A 96 9.344 -16.470 -34.763 1.00 61.33 H new ATOM 0 HG3 GLU A 96 10.954 -15.911 -34.358 1.00 61.33 H new ATOM 1474 N CYS A 97 8.312 -14.950 -31.077 1.00 63.42 N ATOM 1475 CA CYS A 97 8.082 -13.527 -30.866 1.00 34.12 C ATOM 1476 C CYS A 97 9.355 -12.834 -30.390 1.00 34.20 C ATOM 1477 O CYS A 97 10.201 -13.447 -29.740 1.00 24.11 O ATOM 1478 CB CYS A 97 6.962 -13.315 -29.845 1.00 23.50 C ATOM 1479 SG CYS A 97 5.309 -13.794 -30.444 1.00 34.23 S ATOM 0 H CYS A 97 8.341 -15.503 -30.221 1.00 63.42 H new ATOM 0 HA CYS A 97 7.785 -13.089 -31.819 1.00 34.12 H new ATOM 0 HB2 CYS A 97 7.191 -13.888 -28.946 1.00 23.50 H new ATOM 0 HB3 CYS A 97 6.942 -12.264 -29.557 1.00 23.50 H new ATOM 1485 N GLN A 98 9.484 -11.553 -30.720 1.00 34.23 N ATOM 1486 CA GLN A 98 10.655 -10.776 -30.328 1.00 24.25 C ATOM 1487 C GLN A 98 10.825 -10.779 -28.812 1.00 60.01 C ATOM 1488 O GLN A 98 9.878 -10.520 -28.069 1.00 53.13 O ATOM 1489 CB GLN A 98 10.534 -9.339 -30.837 1.00 73.33 C ATOM 1490 CG GLN A 98 10.194 -9.244 -32.315 1.00 21.32 C ATOM 1491 CD GLN A 98 10.936 -10.268 -33.152 1.00 11.22 C ATOM 1492 OE1 GLN A 98 12.124 -10.515 -32.942 1.00 53.11 O ATOM 1493 NE2 GLN A 98 10.238 -10.870 -34.108 1.00 65.22 N ATOM 0 H GLN A 98 8.792 -11.031 -31.258 1.00 34.23 H new ATOM 0 HA GLN A 98 11.535 -11.239 -30.776 1.00 24.25 H new ATOM 0 HB2 GLN A 98 9.766 -8.822 -30.262 1.00 73.33 H new ATOM 0 HB3 GLN A 98 11.474 -8.817 -30.655 1.00 73.33 H new ATOM 0 HG2 GLN A 98 9.121 -9.382 -32.447 1.00 21.32 H new ATOM 0 HG3 GLN A 98 10.433 -8.244 -32.675 1.00 21.32 H new ATOM 0 HE21 GLN A 98 9.255 -10.635 -34.247 1.00 65.22 H new ATOM 0 HE22 GLN A 98 10.685 -11.568 -34.703 1.00 65.22 H new ATOM 1502 N THR A 99 12.040 -11.074 -28.358 1.00 55.01 N ATOM 1503 CA THR A 99 12.334 -11.111 -26.932 1.00 41.34 C ATOM 1504 C THR A 99 12.385 -9.705 -26.343 1.00 22.14 C ATOM 1505 O THR A 99 12.539 -9.532 -25.134 1.00 4.43 O ATOM 1506 CB THR A 99 13.674 -11.820 -26.653 1.00 54.21 C ATOM 1507 OG1 THR A 99 14.764 -10.977 -27.041 1.00 54.10 O ATOM 1508 CG2 THR A 99 13.755 -13.139 -27.406 1.00 23.55 C ATOM 0 H THR A 99 12.836 -11.291 -28.958 1.00 55.01 H new ATOM 0 HA THR A 99 11.528 -11.671 -26.458 1.00 41.34 H new ATOM 0 HB THR A 99 13.736 -12.025 -25.584 1.00 54.21 H new ATOM 0 HG1 THR A 99 15.612 -11.434 -26.859 1.00 54.10 H new ATOM 0 HG21 THR A 99 14.709 -13.621 -27.194 1.00 23.55 H new ATOM 0 HG22 THR A 99 12.941 -13.790 -27.088 1.00 23.55 H new ATOM 0 HG23 THR A 99 13.673 -12.952 -28.477 1.00 23.55 H new ATOM 1516 N THR A 100 12.254 -8.703 -27.207 1.00 42.42 N ATOM 1517 CA THR A 100 12.284 -7.312 -26.772 1.00 61.23 C ATOM 1518 C THR A 100 11.376 -6.446 -27.637 1.00 13.21 C ATOM 1519 O THR A 100 11.225 -6.690 -28.834 1.00 64.41 O ATOM 1520 CB THR A 100 13.714 -6.740 -26.817 1.00 25.42 C ATOM 1521 OG1 THR A 100 14.641 -7.699 -26.294 1.00 55.10 O ATOM 1522 CG2 THR A 100 13.806 -5.450 -26.019 1.00 54.33 C ATOM 0 H THR A 100 12.126 -8.829 -28.211 1.00 42.42 H new ATOM 0 HA THR A 100 11.926 -7.295 -25.743 1.00 61.23 H new ATOM 0 HB THR A 100 13.963 -6.523 -27.856 1.00 25.42 H new ATOM 0 HG1 THR A 100 15.548 -7.329 -26.327 1.00 55.10 H new ATOM 0 HG21 THR A 100 14.825 -5.065 -26.066 1.00 54.33 H new ATOM 0 HG22 THR A 100 13.120 -4.713 -26.438 1.00 54.33 H new ATOM 0 HG23 THR A 100 13.539 -5.645 -24.980 1.00 54.33 H new ATOM 1530 N ILE A 101 10.772 -5.433 -27.023 1.00 74.55 N ATOM 1531 CA ILE A 101 9.880 -4.529 -27.739 1.00 72.40 C ATOM 1532 C ILE A 101 10.423 -3.104 -27.737 1.00 44.21 C ATOM 1533 O ILE A 101 10.949 -2.629 -26.729 1.00 23.44 O ATOM 1534 CB ILE A 101 8.468 -4.529 -27.124 1.00 73.32 C ATOM 1535 CG1 ILE A 101 8.463 -5.304 -25.805 1.00 3.52 C ATOM 1536 CG2 ILE A 101 7.466 -5.128 -28.101 1.00 43.32 C ATOM 1537 CD1 ILE A 101 7.112 -5.326 -25.123 1.00 74.52 C ATOM 0 H ILE A 101 10.884 -5.218 -26.032 1.00 74.55 H new ATOM 0 HA ILE A 101 9.821 -4.891 -28.765 1.00 72.40 H new ATOM 0 HB ILE A 101 8.176 -3.499 -26.919 1.00 73.32 H new ATOM 0 HG12 ILE A 101 8.783 -6.329 -25.994 1.00 3.52 H new ATOM 0 HG13 ILE A 101 9.195 -4.861 -25.130 1.00 3.52 H new ATOM 0 HG21 ILE A 101 6.472 -5.122 -27.653 1.00 43.32 H new ATOM 0 HG22 ILE A 101 7.455 -4.538 -29.018 1.00 43.32 H new ATOM 0 HG23 ILE A 101 7.753 -6.154 -28.333 1.00 43.32 H new ATOM 0 HD11 ILE A 101 7.182 -5.892 -24.194 1.00 74.52 H new ATOM 0 HD12 ILE A 101 6.799 -4.305 -24.903 1.00 74.52 H new ATOM 0 HD13 ILE A 101 6.380 -5.796 -25.780 1.00 74.52 H new ATOM 1549 N LYS A 102 10.292 -2.425 -28.871 1.00 33.42 N ATOM 1550 CA LYS A 102 10.766 -1.052 -29.001 1.00 72.41 C ATOM 1551 C LYS A 102 9.648 -0.134 -29.483 1.00 4.41 C ATOM 1552 O LYS A 102 9.440 0.031 -30.684 1.00 34.35 O ATOM 1553 CB LYS A 102 11.947 -0.989 -29.973 1.00 1.43 C ATOM 1554 CG LYS A 102 13.258 -1.457 -29.368 1.00 72.22 C ATOM 1555 CD LYS A 102 14.039 -0.301 -28.767 1.00 55.21 C ATOM 1556 CE LYS A 102 15.501 -0.663 -28.559 1.00 44.22 C ATOM 1557 NZ LYS A 102 16.414 0.286 -29.255 1.00 1.23 N ATOM 0 H LYS A 102 9.861 -2.803 -29.714 1.00 33.42 H new ATOM 0 HA LYS A 102 11.093 -0.712 -28.018 1.00 72.41 H new ATOM 0 HB2 LYS A 102 11.721 -1.601 -30.846 1.00 1.43 H new ATOM 0 HB3 LYS A 102 12.064 0.036 -30.324 1.00 1.43 H new ATOM 0 HG2 LYS A 102 13.059 -2.202 -28.598 1.00 72.22 H new ATOM 0 HG3 LYS A 102 13.860 -1.944 -30.135 1.00 72.22 H new ATOM 0 HD2 LYS A 102 13.968 0.567 -29.423 1.00 55.21 H new ATOM 0 HD3 LYS A 102 13.594 -0.017 -27.813 1.00 55.21 H new ATOM 0 HE2 LYS A 102 15.726 -0.666 -27.492 1.00 44.22 H new ATOM 0 HE3 LYS A 102 15.680 -1.674 -28.926 1.00 44.22 H new ATOM 0 HZ1 LYS A 102 17.401 0.004 -29.088 1.00 1.23 H new ATOM 0 HZ2 LYS A 102 16.218 0.271 -30.276 1.00 1.23 H new ATOM 0 HZ3 LYS A 102 16.262 1.247 -28.887 1.00 1.23 H new ATOM 1571 N VAL A 103 8.931 0.463 -28.536 1.00 1.54 N ATOM 1572 CA VAL A 103 7.835 1.368 -28.864 1.00 2.13 C ATOM 1573 C VAL A 103 8.196 2.812 -28.533 1.00 34.23 C ATOM 1574 O VAL A 103 8.990 3.073 -27.630 1.00 62.31 O ATOM 1575 CB VAL A 103 6.547 0.987 -28.108 1.00 62.31 C ATOM 1576 CG1 VAL A 103 5.912 -0.250 -28.725 1.00 1.14 C ATOM 1577 CG2 VAL A 103 6.842 0.765 -26.632 1.00 33.22 C ATOM 0 H VAL A 103 9.089 0.337 -27.536 1.00 1.54 H new ATOM 0 HA VAL A 103 7.660 1.277 -29.936 1.00 2.13 H new ATOM 0 HB VAL A 103 5.839 1.811 -28.194 1.00 62.31 H new ATOM 0 HG11 VAL A 103 5.004 -0.504 -28.178 1.00 1.14 H new ATOM 0 HG12 VAL A 103 5.664 -0.050 -29.767 1.00 1.14 H new ATOM 0 HG13 VAL A 103 6.612 -1.083 -28.672 1.00 1.14 H new ATOM 0 HG21 VAL A 103 5.922 0.497 -26.113 1.00 33.22 H new ATOM 0 HG22 VAL A 103 7.568 -0.041 -26.523 1.00 33.22 H new ATOM 0 HG23 VAL A 103 7.248 1.680 -26.201 1.00 33.22 H new ATOM 1587 N SER A 104 7.608 3.747 -29.272 1.00 3.23 N ATOM 1588 CA SER A 104 7.869 5.166 -29.060 1.00 70.03 C ATOM 1589 C SER A 104 6.636 6.001 -29.391 1.00 52.24 C ATOM 1590 O SER A 104 5.816 5.617 -30.224 1.00 52.24 O ATOM 1591 CB SER A 104 9.053 5.620 -29.916 1.00 15.25 C ATOM 1592 OG SER A 104 10.134 4.709 -29.818 1.00 55.42 O ATOM 0 H SER A 104 6.947 3.548 -30.023 1.00 3.23 H new ATOM 0 HA SER A 104 8.113 5.313 -28.008 1.00 70.03 H new ATOM 0 HB2 SER A 104 8.741 5.707 -30.957 1.00 15.25 H new ATOM 0 HB3 SER A 104 9.378 6.610 -29.596 1.00 15.25 H new ATOM 0 HG SER A 104 10.877 5.022 -30.376 1.00 55.42 H new ATOM 1598 N LYS A 105 6.513 7.148 -28.731 1.00 0.40 N ATOM 1599 CA LYS A 105 5.383 8.041 -28.954 1.00 1.45 C ATOM 1600 C LYS A 105 5.784 9.495 -28.729 1.00 74.33 C ATOM 1601 O LYS A 105 6.141 9.903 -27.623 1.00 20.35 O ATOM 1602 CB LYS A 105 4.224 7.673 -28.024 1.00 22.31 C ATOM 1603 CG LYS A 105 2.914 8.352 -28.386 1.00 22.15 C ATOM 1604 CD LYS A 105 1.763 7.823 -27.547 1.00 11.54 C ATOM 1605 CE LYS A 105 0.530 8.706 -27.674 1.00 64.14 C ATOM 1606 NZ LYS A 105 -0.509 8.356 -26.666 1.00 32.51 N ATOM 0 H LYS A 105 7.183 7.481 -28.037 1.00 0.40 H new ATOM 0 HA LYS A 105 5.062 7.927 -29.989 1.00 1.45 H new ATOM 0 HB2 LYS A 105 4.081 6.593 -28.045 1.00 22.31 H new ATOM 0 HB3 LYS A 105 4.491 7.939 -27.001 1.00 22.31 H new ATOM 0 HG2 LYS A 105 3.008 9.428 -28.240 1.00 22.15 H new ATOM 0 HG3 LYS A 105 2.699 8.192 -29.443 1.00 22.15 H new ATOM 0 HD2 LYS A 105 1.519 6.808 -27.860 1.00 11.54 H new ATOM 0 HD3 LYS A 105 2.068 7.769 -26.502 1.00 11.54 H new ATOM 0 HE2 LYS A 105 0.817 9.750 -27.552 1.00 64.14 H new ATOM 0 HE3 LYS A 105 0.113 8.605 -28.676 1.00 64.14 H new ATOM 0 HZ1 LYS A 105 -1.333 8.980 -26.785 1.00 32.51 H new ATOM 0 HZ2 LYS A 105 -0.802 7.367 -26.798 1.00 32.51 H new ATOM 0 HZ3 LYS A 105 -0.119 8.477 -25.709 1.00 32.51 H new ATOM 1620 N PRO A 106 5.728 10.298 -29.802 1.00 14.32 N ATOM 1621 CA PRO A 106 6.081 11.720 -29.747 1.00 44.32 C ATOM 1622 C PRO A 106 5.065 12.539 -28.957 1.00 72.24 C ATOM 1623 O PRO A 106 3.889 12.602 -29.315 1.00 34.41 O ATOM 1624 CB PRO A 106 6.081 12.144 -31.218 1.00 64.31 C ATOM 1625 CG PRO A 106 5.161 11.183 -31.888 1.00 30.23 C ATOM 1626 CD PRO A 106 5.313 9.881 -31.152 1.00 1.33 C ATOM 0 HA PRO A 106 7.033 11.884 -29.242 1.00 44.32 H new ATOM 0 HB2 PRO A 106 5.734 13.171 -31.334 1.00 64.31 H new ATOM 0 HB3 PRO A 106 7.083 12.096 -31.644 1.00 64.31 H new ATOM 0 HG2 PRO A 106 4.131 11.536 -31.847 1.00 30.23 H new ATOM 0 HG3 PRO A 106 5.417 11.068 -32.941 1.00 30.23 H new ATOM 0 HD2 PRO A 106 4.378 9.321 -31.130 1.00 1.33 H new ATOM 0 HD3 PRO A 106 6.059 9.239 -31.621 1.00 1.33 H new ATOM 1634 N CYS A 107 5.527 13.167 -27.880 1.00 61.13 N ATOM 1635 CA CYS A 107 4.660 13.983 -27.039 1.00 23.10 C ATOM 1636 C CYS A 107 5.266 15.364 -26.811 1.00 34.13 C ATOM 1637 O CYS A 107 6.471 15.561 -26.971 1.00 65.50 O ATOM 1638 CB CYS A 107 4.420 13.291 -25.696 1.00 54.41 C ATOM 1639 SG CYS A 107 5.804 13.449 -24.521 1.00 24.11 S ATOM 0 H CYS A 107 6.498 13.126 -27.570 1.00 61.13 H new ATOM 0 HA CYS A 107 3.707 14.105 -27.553 1.00 23.10 H new ATOM 0 HB2 CYS A 107 3.521 13.707 -25.240 1.00 54.41 H new ATOM 0 HB3 CYS A 107 4.227 12.233 -25.874 1.00 54.41 H new ATOM 1645 N THR A 108 4.421 16.321 -26.437 1.00 70.14 N ATOM 1646 CA THR A 108 4.873 17.684 -26.187 1.00 53.14 C ATOM 1647 C THR A 108 5.338 17.855 -24.746 1.00 24.34 C ATOM 1648 O THR A 108 4.821 17.224 -23.823 1.00 21.31 O ATOM 1649 CB THR A 108 3.759 18.706 -26.481 1.00 53.12 C ATOM 1650 OG1 THR A 108 2.711 18.580 -25.514 1.00 23.42 O ATOM 1651 CG2 THR A 108 3.194 18.504 -27.879 1.00 53.42 C ATOM 0 H THR A 108 3.420 16.177 -26.301 1.00 70.14 H new ATOM 0 HA THR A 108 5.712 17.867 -26.859 1.00 53.14 H new ATOM 0 HB THR A 108 4.189 19.706 -26.422 1.00 53.12 H new ATOM 0 HG1 THR A 108 2.007 19.234 -25.707 1.00 23.42 H new ATOM 0 HG21 THR A 108 2.409 19.237 -28.064 1.00 53.42 H new ATOM 0 HG22 THR A 108 3.989 18.630 -28.614 1.00 53.42 H new ATOM 0 HG23 THR A 108 2.779 17.499 -27.962 1.00 53.42 H new