USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=21 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 79 THR OG1 : rot -11:sc= 0.993 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.32) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.59) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0618 K(o=-0.062,f=-4.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.12 K(o=-2.1,f=-5.9!) USER MOD Single : A 45 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.86) 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+ -166:sc= -0.0419 (180deg=-0.287) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.04 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 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.149 USER MOD Single : A 85 SER OG : rot -8:sc= 0.43! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.033) USER MOD Single : A 94 ASN : amide:sc= -3.82 K(o=-3.8,f=-8.3!) USER MOD Single : A 98 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.73) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0838 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.158 USER MOD Single : A 105 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.127) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0398 USER MOD ----------------------------------------------------------------- ATOM 268 N CYS A 18 -20.067 11.275 -51.333 1.00 61.12 N ATOM 269 CA CYS A 18 -19.474 11.044 -50.021 1.00 23.34 C ATOM 270 C CYS A 18 -18.484 9.883 -50.068 1.00 31.24 C ATOM 271 O CYS A 18 -18.843 8.762 -50.431 1.00 12.41 O ATOM 272 CB CYS A 18 -20.566 10.756 -48.989 1.00 30.01 C ATOM 273 SG CYS A 18 -20.078 11.118 -47.271 1.00 33.44 S ATOM 0 HA CYS A 18 -18.936 11.946 -49.729 1.00 23.34 H new ATOM 0 HB2 CYS A 18 -21.449 11.345 -49.236 1.00 30.01 H new ATOM 0 HB3 CYS A 18 -20.852 9.707 -49.061 1.00 30.01 H new ATOM 279 N SER A 19 -17.238 10.159 -49.700 1.00 52.23 N ATOM 280 CA SER A 19 -16.195 9.140 -49.704 1.00 13.23 C ATOM 281 C SER A 19 -15.705 8.860 -48.287 1.00 65.35 C ATOM 282 O SER A 19 -15.259 7.754 -47.980 1.00 13.51 O ATOM 283 CB SER A 19 -15.023 9.582 -50.583 1.00 24.34 C ATOM 284 OG SER A 19 -14.420 8.470 -51.224 1.00 44.44 O ATOM 0 H SER A 19 -16.925 11.081 -49.395 1.00 52.23 H new ATOM 0 HA SER A 19 -16.619 8.223 -50.112 1.00 13.23 H new ATOM 0 HB2 SER A 19 -15.373 10.292 -51.332 1.00 24.34 H new ATOM 0 HB3 SER A 19 -14.283 10.101 -49.974 1.00 24.34 H new ATOM 0 HG SER A 19 -13.675 8.778 -51.781 1.00 44.44 H new ATOM 290 N GLU A 20 -15.791 9.870 -47.427 1.00 44.23 N ATOM 291 CA GLU A 20 -15.355 9.732 -46.042 1.00 2.25 C ATOM 292 C GLU A 20 -16.536 9.866 -45.084 1.00 62.44 C ATOM 293 O GLU A 20 -16.585 10.786 -44.267 1.00 23.05 O ATOM 294 CB GLU A 20 -14.295 10.785 -45.711 1.00 62.34 C ATOM 295 CG GLU A 20 -13.366 10.378 -44.579 1.00 2.00 C ATOM 296 CD GLU A 20 -13.971 10.626 -43.211 1.00 13.51 C ATOM 297 OE1 GLU A 20 -14.169 11.807 -42.854 1.00 54.54 O ATOM 298 OE2 GLU A 20 -14.247 9.640 -42.497 1.00 12.14 O ATOM 0 H GLU A 20 -16.158 10.792 -47.664 1.00 44.23 H new ATOM 0 HA GLU A 20 -14.922 8.739 -45.921 1.00 2.25 H new ATOM 0 HB2 GLU A 20 -13.701 10.984 -46.603 1.00 62.34 H new ATOM 0 HB3 GLU A 20 -14.792 11.718 -45.444 1.00 62.34 H new ATOM 0 HG2 GLU A 20 -13.121 9.321 -44.678 1.00 2.00 H new ATOM 0 HG3 GLU A 20 -12.431 10.931 -44.664 1.00 2.00 H new ATOM 305 N TRP A 21 -17.484 8.942 -45.191 1.00 12.43 N ATOM 306 CA TRP A 21 -18.665 8.957 -44.336 1.00 20.42 C ATOM 307 C TRP A 21 -18.271 9.050 -42.866 1.00 44.51 C ATOM 308 O TRP A 21 -17.289 8.444 -42.438 1.00 42.00 O ATOM 309 CB TRP A 21 -19.506 7.701 -44.572 1.00 0.02 C ATOM 310 CG TRP A 21 -20.600 7.899 -45.578 1.00 72.12 C ATOM 311 CD1 TRP A 21 -20.498 7.772 -46.934 1.00 22.43 C ATOM 312 CD2 TRP A 21 -21.958 8.262 -45.307 1.00 63.41 C ATOM 313 NE1 TRP A 21 -21.712 8.033 -47.523 1.00 3.13 N ATOM 314 CE2 TRP A 21 -22.624 8.336 -46.546 1.00 20.11 C ATOM 315 CE3 TRP A 21 -22.676 8.529 -44.140 1.00 43.23 C ATOM 316 CZ2 TRP A 21 -23.972 8.667 -46.647 1.00 3.01 C ATOM 317 CZ3 TRP A 21 -24.015 8.859 -44.241 1.00 60.41 C ATOM 318 CH2 TRP A 21 -24.651 8.924 -45.487 1.00 10.44 C ATOM 0 H TRP A 21 -17.458 8.173 -45.861 1.00 12.43 H new ATOM 0 HA TRP A 21 -19.257 9.836 -44.591 1.00 20.42 H new ATOM 0 HB2 TRP A 21 -18.855 6.894 -44.908 1.00 0.02 H new ATOM 0 HB3 TRP A 21 -19.945 7.383 -43.626 1.00 0.02 H new ATOM 0 HD1 TRP A 21 -19.596 7.506 -47.465 1.00 22.43 H new ATOM 0 HE1 TRP A 21 -21.903 8.006 -48.525 1.00 3.13 H new ATOM 0 HE3 TRP A 21 -22.194 8.479 -43.175 1.00 43.23 H new ATOM 0 HZ2 TRP A 21 -24.465 8.719 -47.607 1.00 3.01 H new ATOM 0 HZ3 TRP A 21 -24.579 9.070 -43.345 1.00 60.41 H new ATOM 0 HH2 TRP A 21 -25.699 9.182 -45.533 1.00 10.44 H new ATOM 329 N GLN A 22 -19.043 9.813 -42.099 1.00 52.14 N ATOM 330 CA GLN A 22 -18.772 9.985 -40.676 1.00 23.14 C ATOM 331 C GLN A 22 -19.711 9.125 -39.836 1.00 40.04 C ATOM 332 O GLN A 22 -20.869 9.479 -39.622 1.00 25.05 O ATOM 333 CB GLN A 22 -18.921 11.456 -40.282 1.00 53.24 C ATOM 334 CG GLN A 22 -20.225 12.083 -40.747 1.00 64.40 C ATOM 335 CD GLN A 22 -20.011 13.211 -41.735 1.00 33.11 C ATOM 336 OE1 GLN A 22 -19.224 13.088 -42.676 1.00 23.34 O ATOM 337 NE2 GLN A 22 -20.710 14.321 -41.528 1.00 1.13 N ATOM 0 H GLN A 22 -19.860 10.321 -42.438 1.00 52.14 H new ATOM 0 HA GLN A 22 -17.747 9.666 -40.485 1.00 23.14 H new ATOM 0 HB2 GLN A 22 -18.853 11.541 -39.197 1.00 53.24 H new ATOM 0 HB3 GLN A 22 -18.087 12.021 -40.699 1.00 53.24 H new ATOM 0 HG2 GLN A 22 -20.849 11.316 -41.207 1.00 64.40 H new ATOM 0 HG3 GLN A 22 -20.770 12.461 -39.882 1.00 64.40 H new ATOM 0 HE21 GLN A 22 -21.351 14.380 -40.736 1.00 1.13 H new ATOM 0 HE22 GLN A 22 -20.606 15.114 -42.161 1.00 1.13 H new ATOM 346 N TYR A 23 -19.201 7.993 -39.362 1.00 13.41 N ATOM 347 CA TYR A 23 -19.994 7.080 -38.547 1.00 52.22 C ATOM 348 C TYR A 23 -20.025 7.536 -37.091 1.00 51.31 C ATOM 349 O TYR A 23 -19.078 8.150 -36.601 1.00 1.35 O ATOM 350 CB TYR A 23 -19.430 5.661 -38.636 1.00 53.42 C ATOM 351 CG TYR A 23 -19.090 5.233 -40.046 1.00 63.13 C ATOM 352 CD1 TYR A 23 -19.919 5.561 -41.111 1.00 55.32 C ATOM 353 CD2 TYR A 23 -17.940 4.499 -40.312 1.00 1.01 C ATOM 354 CE1 TYR A 23 -19.613 5.171 -42.402 1.00 45.14 C ATOM 355 CE2 TYR A 23 -17.626 4.106 -41.599 1.00 74.12 C ATOM 356 CZ TYR A 23 -18.466 4.445 -42.640 1.00 72.43 C ATOM 357 OH TYR A 23 -18.156 4.054 -43.922 1.00 71.22 O ATOM 0 H TYR A 23 -18.243 7.686 -39.528 1.00 13.41 H new ATOM 0 HA TYR A 23 -21.014 7.083 -38.932 1.00 52.22 H new ATOM 0 HB2 TYR A 23 -18.534 5.596 -38.019 1.00 53.42 H new ATOM 0 HB3 TYR A 23 -20.156 4.963 -38.218 1.00 53.42 H new ATOM 0 HD1 TYR A 23 -20.818 6.130 -40.928 1.00 55.32 H new ATOM 0 HD2 TYR A 23 -17.281 4.231 -39.499 1.00 1.01 H new ATOM 0 HE1 TYR A 23 -20.269 5.434 -43.219 1.00 45.14 H new ATOM 0 HE2 TYR A 23 -16.728 3.537 -41.789 1.00 74.12 H new ATOM 0 HH TYR A 23 -17.315 3.552 -43.916 1.00 71.22 H new ATOM 367 N GLY A 24 -21.122 7.231 -36.405 1.00 60.00 N ATOM 368 CA GLY A 24 -21.258 7.616 -35.013 1.00 62.32 C ATOM 369 C GLY A 24 -20.930 6.481 -34.063 1.00 75.03 C ATOM 370 O GLY A 24 -20.410 5.445 -34.477 1.00 23.22 O ATOM 0 H GLY A 24 -21.919 6.724 -36.789 1.00 60.00 H new ATOM 0 HA2 GLY A 24 -20.600 8.460 -34.807 1.00 62.32 H new ATOM 0 HA3 GLY A 24 -22.278 7.955 -34.831 1.00 62.32 H new ATOM 374 N LYS A 25 -21.231 6.676 -32.784 1.00 42.14 N ATOM 375 CA LYS A 25 -20.965 5.662 -31.771 1.00 60.41 C ATOM 376 C LYS A 25 -21.711 4.369 -32.086 1.00 72.30 C ATOM 377 O LYS A 25 -22.719 4.379 -32.793 1.00 3.22 O ATOM 378 CB LYS A 25 -21.373 6.174 -30.387 1.00 21.34 C ATOM 379 CG LYS A 25 -22.870 6.116 -30.135 1.00 43.41 C ATOM 380 CD LYS A 25 -23.603 7.224 -30.872 1.00 40.04 C ATOM 381 CE LYS A 25 -24.298 6.700 -32.119 1.00 72.32 C ATOM 382 NZ LYS A 25 -25.601 7.381 -32.356 1.00 71.55 N ATOM 0 H LYS A 25 -21.660 7.528 -32.424 1.00 42.14 H new ATOM 0 HA LYS A 25 -19.895 5.454 -31.774 1.00 60.41 H new ATOM 0 HB2 LYS A 25 -20.862 5.585 -29.626 1.00 21.34 H new ATOM 0 HB3 LYS A 25 -21.034 7.204 -30.275 1.00 21.34 H new ATOM 0 HG2 LYS A 25 -23.256 5.148 -30.454 1.00 43.41 H new ATOM 0 HG3 LYS A 25 -23.063 6.199 -29.066 1.00 43.41 H new ATOM 0 HD2 LYS A 25 -24.338 7.679 -30.208 1.00 40.04 H new ATOM 0 HD3 LYS A 25 -22.897 8.007 -31.150 1.00 40.04 H new ATOM 0 HE2 LYS A 25 -23.650 6.845 -32.984 1.00 72.32 H new ATOM 0 HE3 LYS A 25 -24.462 5.627 -32.020 1.00 72.32 H new ATOM 0 HZ1 LYS A 25 -26.043 6.996 -33.215 1.00 71.55 H new ATOM 0 HZ2 LYS A 25 -26.229 7.222 -31.542 1.00 71.55 H new ATOM 0 HZ3 LYS A 25 -25.442 8.402 -32.477 1.00 71.55 H new ATOM 396 N CYS A 26 -21.209 3.258 -31.559 1.00 64.20 N ATOM 397 CA CYS A 26 -21.827 1.957 -31.783 1.00 61.42 C ATOM 398 C CYS A 26 -22.591 1.497 -30.544 1.00 32.04 C ATOM 399 O CYS A 26 -21.993 1.164 -29.521 1.00 22.24 O ATOM 400 CB CYS A 26 -20.765 0.921 -32.155 1.00 43.34 C ATOM 401 SG CYS A 26 -19.576 1.492 -33.410 1.00 13.01 S ATOM 0 H CYS A 26 -20.375 3.233 -30.973 1.00 64.20 H new ATOM 0 HA CYS A 26 -22.533 2.055 -32.608 1.00 61.42 H new ATOM 0 HB2 CYS A 26 -20.219 0.637 -31.255 1.00 43.34 H new ATOM 0 HB3 CYS A 26 -21.262 0.023 -32.523 1.00 43.34 H new ATOM 407 N VAL A 27 -23.916 1.481 -30.646 1.00 4.21 N ATOM 408 CA VAL A 27 -24.763 1.061 -29.535 1.00 21.53 C ATOM 409 C VAL A 27 -25.488 -0.241 -29.859 1.00 54.22 C ATOM 410 O VAL A 27 -26.161 -0.368 -30.881 1.00 23.31 O ATOM 411 CB VAL A 27 -25.803 2.141 -29.183 1.00 30.13 C ATOM 412 CG1 VAL A 27 -26.464 2.678 -30.444 1.00 65.10 C ATOM 413 CG2 VAL A 27 -26.842 1.585 -28.222 1.00 24.33 C ATOM 0 H VAL A 27 -24.426 1.754 -31.486 1.00 4.21 H new ATOM 0 HA VAL A 27 -24.108 0.905 -28.678 1.00 21.53 H new ATOM 0 HB VAL A 27 -25.291 2.968 -28.691 1.00 30.13 H new ATOM 0 HG11 VAL A 27 -27.196 3.440 -30.175 1.00 65.10 H new ATOM 0 HG12 VAL A 27 -25.706 3.116 -31.094 1.00 65.10 H new ATOM 0 HG13 VAL A 27 -26.964 1.863 -30.968 1.00 65.10 H new ATOM 0 HG21 VAL A 27 -27.569 2.361 -27.984 1.00 24.33 H new ATOM 0 HG22 VAL A 27 -27.352 0.740 -28.686 1.00 24.33 H new ATOM 0 HG23 VAL A 27 -26.351 1.254 -27.307 1.00 24.33 H new ATOM 423 N PRO A 28 -25.347 -1.233 -28.967 1.00 60.21 N ATOM 424 CA PRO A 28 -25.982 -2.544 -29.135 1.00 31.44 C ATOM 425 C PRO A 28 -27.496 -2.480 -28.972 1.00 11.13 C ATOM 426 O PRO A 28 -28.228 -3.271 -29.564 1.00 22.43 O ATOM 427 CB PRO A 28 -25.359 -3.386 -28.018 1.00 11.23 C ATOM 428 CG PRO A 28 -24.953 -2.397 -26.980 1.00 12.14 C ATOM 429 CD PRO A 28 -24.558 -1.152 -27.726 1.00 33.23 C ATOM 0 HA PRO A 28 -25.821 -2.950 -30.134 1.00 31.44 H new ATOM 0 HB2 PRO A 28 -26.073 -4.107 -27.620 1.00 11.23 H new ATOM 0 HB3 PRO A 28 -24.502 -3.953 -28.381 1.00 11.23 H new ATOM 0 HG2 PRO A 28 -25.773 -2.195 -26.291 1.00 12.14 H new ATOM 0 HG3 PRO A 28 -24.122 -2.775 -26.384 1.00 12.14 H new ATOM 0 HD2 PRO A 28 -24.793 -0.252 -27.158 1.00 33.23 H new ATOM 0 HD3 PRO A 28 -23.488 -1.129 -27.931 1.00 33.23 H new ATOM 437 N ASN A 29 -27.960 -1.531 -28.165 1.00 61.22 N ATOM 438 CA ASN A 29 -29.389 -1.363 -27.924 1.00 23.11 C ATOM 439 C ASN A 29 -30.031 -2.687 -27.520 1.00 40.35 C ATOM 440 O ASN A 29 -31.203 -2.932 -27.804 1.00 63.43 O ATOM 441 CB ASN A 29 -30.077 -0.811 -29.173 1.00 12.45 C ATOM 442 CG ASN A 29 -31.416 -0.170 -28.862 1.00 62.40 C ATOM 443 OD1 ASN A 29 -31.545 0.587 -27.900 1.00 23.23 O ATOM 444 ND2 ASN A 29 -32.420 -0.474 -29.676 1.00 65.01 N ATOM 0 H ASN A 29 -27.367 -0.867 -27.667 1.00 61.22 H new ATOM 0 HA ASN A 29 -29.513 -0.654 -27.106 1.00 23.11 H new ATOM 0 HB2 ASN A 29 -29.427 -0.076 -29.647 1.00 12.45 H new ATOM 0 HB3 ASN A 29 -30.222 -1.618 -29.891 1.00 12.45 H new ATOM 0 HD21 ASN A 29 -33.345 -0.075 -29.516 1.00 65.01 H new ATOM 0 HD22 ASN A 29 -32.266 -1.107 -30.461 1.00 65.01 H new ATOM 451 N SER A 30 -29.255 -3.536 -26.853 1.00 25.32 N ATOM 452 CA SER A 30 -29.746 -4.836 -26.412 1.00 41.20 C ATOM 453 C SER A 30 -28.661 -5.601 -25.661 1.00 50.30 C ATOM 454 O SER A 30 -27.473 -5.320 -25.809 1.00 73.05 O ATOM 455 CB SER A 30 -30.228 -5.656 -27.610 1.00 30.44 C ATOM 456 OG SER A 30 -31.476 -6.272 -27.339 1.00 54.23 O ATOM 0 H SER A 30 -28.284 -3.346 -26.606 1.00 25.32 H new ATOM 0 HA SER A 30 -30.583 -4.669 -25.734 1.00 41.20 H new ATOM 0 HB2 SER A 30 -30.320 -5.010 -28.483 1.00 30.44 H new ATOM 0 HB3 SER A 30 -29.488 -6.418 -27.854 1.00 30.44 H new ATOM 0 HG SER A 30 -31.763 -6.788 -28.121 1.00 54.23 H new ATOM 462 N GLY A 31 -29.080 -6.571 -24.854 1.00 41.13 N ATOM 463 CA GLY A 31 -28.132 -7.362 -24.091 1.00 64.34 C ATOM 464 C GLY A 31 -27.172 -6.504 -23.290 1.00 14.25 C ATOM 465 O GLY A 31 -27.534 -5.969 -22.242 1.00 32.32 O ATOM 0 H GLY A 31 -30.059 -6.823 -24.715 1.00 41.13 H new ATOM 0 HA2 GLY A 31 -28.675 -8.022 -23.415 1.00 64.34 H new ATOM 0 HA3 GLY A 31 -27.565 -7.999 -24.770 1.00 64.34 H new ATOM 469 N ASP A 32 -25.946 -6.373 -23.783 1.00 31.24 N ATOM 470 CA ASP A 32 -24.931 -5.575 -23.107 1.00 74.23 C ATOM 471 C ASP A 32 -23.879 -5.081 -24.096 1.00 4.14 C ATOM 472 O ASP A 32 -23.616 -3.881 -24.191 1.00 22.32 O ATOM 473 CB ASP A 32 -24.263 -6.392 -22.000 1.00 30.21 C ATOM 474 CG ASP A 32 -24.033 -7.835 -22.403 1.00 33.12 C ATOM 475 OD1 ASP A 32 -24.942 -8.665 -22.187 1.00 14.45 O ATOM 476 OD2 ASP A 32 -22.945 -8.135 -22.938 1.00 65.43 O ATOM 0 H ASP A 32 -25.631 -6.810 -24.649 1.00 31.24 H new ATOM 0 HA ASP A 32 -25.422 -4.709 -22.663 1.00 74.23 H new ATOM 0 HB2 ASP A 32 -23.309 -5.934 -21.740 1.00 30.21 H new ATOM 0 HB3 ASP A 32 -24.885 -6.363 -21.105 1.00 30.21 H new ATOM 481 N CYS A 33 -23.282 -6.012 -24.831 1.00 61.34 N ATOM 482 CA CYS A 33 -22.258 -5.673 -25.812 1.00 12.21 C ATOM 483 C CYS A 33 -22.180 -6.735 -26.906 1.00 0.33 C ATOM 484 O CYS A 33 -22.468 -7.907 -26.669 1.00 52.32 O ATOM 485 CB CYS A 33 -20.897 -5.526 -25.130 1.00 43.13 C ATOM 486 SG CYS A 33 -20.234 -7.082 -24.450 1.00 11.43 S ATOM 0 H CYS A 33 -23.490 -7.009 -24.766 1.00 61.34 H new ATOM 0 HA CYS A 33 -22.531 -4.723 -26.271 1.00 12.21 H new ATOM 0 HB2 CYS A 33 -20.184 -5.123 -25.849 1.00 43.13 H new ATOM 0 HB3 CYS A 33 -20.983 -4.797 -24.324 1.00 43.13 H new ATOM 492 N GLY A 34 -21.787 -6.314 -28.104 1.00 54.21 N ATOM 493 CA GLY A 34 -21.677 -7.241 -29.216 1.00 11.42 C ATOM 494 C GLY A 34 -21.742 -6.542 -30.560 1.00 74.21 C ATOM 495 O GLY A 34 -20.991 -5.601 -30.815 1.00 23.24 O ATOM 0 H GLY A 34 -21.543 -5.349 -28.325 1.00 54.21 H new ATOM 0 HA2 GLY A 34 -20.737 -7.787 -29.139 1.00 11.42 H new ATOM 0 HA3 GLY A 34 -22.479 -7.977 -29.153 1.00 11.42 H new ATOM 499 N ASN A 35 -22.640 -7.006 -31.423 1.00 35.44 N ATOM 500 CA ASN A 35 -22.797 -6.421 -32.750 1.00 50.20 C ATOM 501 C ASN A 35 -23.927 -5.395 -32.762 1.00 64.01 C ATOM 502 O ASN A 35 -25.068 -5.717 -33.090 1.00 0.13 O ATOM 503 CB ASN A 35 -23.077 -7.516 -33.783 1.00 52.54 C ATOM 504 CG ASN A 35 -22.721 -7.084 -35.193 1.00 52.43 C ATOM 505 OD1 ASN A 35 -23.052 -5.977 -35.617 1.00 23.44 O ATOM 506 ND2 ASN A 35 -22.043 -7.959 -35.925 1.00 73.41 N ATOM 0 H ASN A 35 -23.269 -7.784 -31.228 1.00 35.44 H new ATOM 0 HA ASN A 35 -21.867 -5.915 -33.009 1.00 50.20 H new ATOM 0 HB2 ASN A 35 -22.508 -8.409 -33.525 1.00 52.54 H new ATOM 0 HB3 ASN A 35 -24.132 -7.787 -33.744 1.00 52.54 H new ATOM 0 HD21 ASN A 35 -21.775 -7.725 -36.881 1.00 73.41 H new ATOM 0 HD22 ASN A 35 -21.790 -8.865 -35.532 1.00 73.41 H new ATOM 513 N GLY A 36 -23.599 -4.158 -32.402 1.00 40.30 N ATOM 514 CA GLY A 36 -24.596 -3.104 -32.378 1.00 24.22 C ATOM 515 C GLY A 36 -24.750 -2.421 -33.722 1.00 41.15 C ATOM 516 O GLY A 36 -24.523 -3.032 -34.766 1.00 60.52 O ATOM 0 H GLY A 36 -22.661 -3.867 -32.127 1.00 40.30 H new ATOM 0 HA2 GLY A 36 -25.556 -3.523 -32.075 1.00 24.22 H new ATOM 0 HA3 GLY A 36 -24.320 -2.364 -31.627 1.00 24.22 H new ATOM 520 N ILE A 37 -25.138 -1.151 -33.697 1.00 14.44 N ATOM 521 CA ILE A 37 -25.323 -0.385 -34.924 1.00 52.14 C ATOM 522 C ILE A 37 -24.772 1.029 -34.777 1.00 53.54 C ATOM 523 O ILE A 37 -24.703 1.568 -33.672 1.00 52.00 O ATOM 524 CB ILE A 37 -26.809 -0.305 -35.320 1.00 44.31 C ATOM 525 CG1 ILE A 37 -26.947 0.088 -36.792 1.00 35.01 C ATOM 526 CG2 ILE A 37 -27.542 0.687 -34.430 1.00 30.15 C ATOM 527 CD1 ILE A 37 -27.884 -0.808 -37.571 1.00 74.40 C ATOM 0 H ILE A 37 -25.330 -0.630 -32.841 1.00 14.44 H new ATOM 0 HA ILE A 37 -24.774 -0.908 -35.707 1.00 52.14 H new ATOM 0 HB ILE A 37 -27.260 -1.288 -35.182 1.00 44.31 H new ATOM 0 HG12 ILE A 37 -27.305 1.116 -36.853 1.00 35.01 H new ATOM 0 HG13 ILE A 37 -25.963 0.065 -37.260 1.00 35.01 H new ATOM 0 HG21 ILE A 37 -28.591 0.732 -34.723 1.00 30.15 H new ATOM 0 HG22 ILE A 37 -27.469 0.367 -33.391 1.00 30.15 H new ATOM 0 HG23 ILE A 37 -27.092 1.674 -34.538 1.00 30.15 H new ATOM 0 HD11 ILE A 37 -27.933 -0.471 -38.606 1.00 74.40 H new ATOM 0 HD12 ILE A 37 -27.516 -1.833 -37.541 1.00 74.40 H new ATOM 0 HD13 ILE A 37 -28.879 -0.767 -37.128 1.00 74.40 H new ATOM 539 N ARG A 38 -24.382 1.627 -35.898 1.00 35.20 N ATOM 540 CA ARG A 38 -23.836 2.979 -35.895 1.00 5.33 C ATOM 541 C ARG A 38 -24.580 3.867 -36.889 1.00 60.20 C ATOM 542 O ARG A 38 -24.915 3.434 -37.991 1.00 12.02 O ATOM 543 CB ARG A 38 -22.346 2.952 -36.234 1.00 75.22 C ATOM 544 CG ARG A 38 -22.061 2.720 -37.710 1.00 43.33 C ATOM 545 CD ARG A 38 -20.591 2.417 -37.953 1.00 24.21 C ATOM 546 NE ARG A 38 -20.372 1.017 -38.306 1.00 35.12 N ATOM 547 CZ ARG A 38 -19.177 0.507 -38.582 1.00 34.11 C ATOM 548 NH1 ARG A 38 -18.099 1.278 -38.547 1.00 1.11 N ATOM 549 NH2 ARG A 38 -19.059 -0.777 -38.896 1.00 31.33 N ATOM 0 H ARG A 38 -24.434 1.196 -36.821 1.00 35.20 H new ATOM 0 HA ARG A 38 -23.965 3.394 -34.895 1.00 5.33 H new ATOM 0 HB2 ARG A 38 -21.896 3.897 -35.930 1.00 75.22 H new ATOM 0 HB3 ARG A 38 -21.864 2.167 -35.652 1.00 75.22 H new ATOM 0 HG2 ARG A 38 -22.669 1.892 -38.073 1.00 43.33 H new ATOM 0 HG3 ARG A 38 -22.351 3.602 -38.281 1.00 43.33 H new ATOM 0 HD2 ARG A 38 -20.217 3.055 -38.753 1.00 24.21 H new ATOM 0 HD3 ARG A 38 -20.018 2.659 -37.058 1.00 24.21 H new ATOM 0 HE ARG A 38 -21.181 0.397 -38.343 1.00 35.12 H new ATOM 0 HH11 ARG A 38 -18.186 2.266 -38.308 1.00 1.11 H new ATOM 0 HH12 ARG A 38 -17.183 0.883 -38.759 1.00 1.11 H new ATOM 0 HH21 ARG A 38 -19.886 -1.373 -38.926 1.00 31.33 H new ATOM 0 HH22 ARG A 38 -18.141 -1.168 -39.108 1.00 31.33 H new ATOM 563 N GLU A 39 -24.833 5.109 -36.490 1.00 3.32 N ATOM 564 CA GLU A 39 -25.538 6.057 -37.346 1.00 45.23 C ATOM 565 C GLU A 39 -24.568 7.067 -37.952 1.00 3.34 C ATOM 566 O GLU A 39 -23.695 7.595 -37.265 1.00 31.12 O ATOM 567 CB GLU A 39 -26.622 6.787 -36.551 1.00 0.40 C ATOM 568 CG GLU A 39 -27.906 5.990 -36.395 1.00 75.35 C ATOM 569 CD GLU A 39 -28.276 5.757 -34.944 1.00 51.44 C ATOM 570 OE1 GLU A 39 -27.463 5.156 -34.212 1.00 72.41 O ATOM 571 OE2 GLU A 39 -29.380 6.179 -34.540 1.00 45.33 O ATOM 0 H GLU A 39 -24.561 5.483 -35.581 1.00 3.32 H new ATOM 0 HA GLU A 39 -26.007 5.498 -38.156 1.00 45.23 H new ATOM 0 HB2 GLU A 39 -26.233 7.030 -35.562 1.00 0.40 H new ATOM 0 HB3 GLU A 39 -26.849 7.732 -37.045 1.00 0.40 H new ATOM 0 HG2 GLU A 39 -28.719 6.518 -36.893 1.00 75.35 H new ATOM 0 HG3 GLU A 39 -27.795 5.029 -36.897 1.00 75.35 H new ATOM 578 N ALA A 40 -24.729 7.329 -39.245 1.00 11.10 N ATOM 579 CA ALA A 40 -23.870 8.277 -39.945 1.00 54.13 C ATOM 580 C ALA A 40 -24.696 9.327 -40.681 1.00 74.44 C ATOM 581 O ALA A 40 -25.820 9.062 -41.107 1.00 43.55 O ATOM 582 CB ALA A 40 -22.957 7.543 -40.917 1.00 23.11 C ATOM 0 H ALA A 40 -25.446 6.898 -39.829 1.00 11.10 H new ATOM 0 HA ALA A 40 -23.257 8.790 -39.204 1.00 54.13 H new ATOM 0 HB1 ALA A 40 -22.321 8.262 -41.433 1.00 23.11 H new ATOM 0 HB2 ALA A 40 -22.334 6.836 -40.368 1.00 23.11 H new ATOM 0 HB3 ALA A 40 -23.561 7.004 -41.647 1.00 23.11 H new ATOM 588 N THR A 41 -24.129 10.521 -40.827 1.00 10.33 N ATOM 589 CA THR A 41 -24.814 11.612 -41.510 1.00 4.42 C ATOM 590 C THR A 41 -23.938 12.210 -42.605 1.00 13.35 C ATOM 591 O THR A 41 -22.881 12.779 -42.329 1.00 25.34 O ATOM 592 CB THR A 41 -25.217 12.726 -40.525 1.00 22.43 C ATOM 593 OG1 THR A 41 -24.504 12.573 -39.294 1.00 24.21 O ATOM 594 CG2 THR A 41 -26.715 12.695 -40.258 1.00 31.40 C ATOM 0 H THR A 41 -23.199 10.757 -40.482 1.00 10.33 H new ATOM 0 HA THR A 41 -25.714 11.190 -41.958 1.00 4.42 H new ATOM 0 HB THR A 41 -24.963 13.687 -40.973 1.00 22.43 H new ATOM 0 HG1 THR A 41 -24.765 13.286 -38.674 1.00 24.21 H new ATOM 0 HG21 THR A 41 -26.977 13.490 -39.560 1.00 31.40 H new ATOM 0 HG22 THR A 41 -27.254 12.842 -41.194 1.00 31.40 H new ATOM 0 HG23 THR A 41 -26.988 11.731 -39.829 1.00 31.40 H new ATOM 602 N CYS A 42 -24.385 12.080 -43.851 1.00 64.34 N ATOM 603 CA CYS A 42 -23.642 12.608 -44.989 1.00 63.22 C ATOM 604 C CYS A 42 -24.539 12.717 -46.219 1.00 41.34 C ATOM 605 O CYS A 42 -25.368 11.845 -46.475 1.00 51.53 O ATOM 606 CB CYS A 42 -22.439 11.715 -45.298 1.00 24.23 C ATOM 607 SG CYS A 42 -21.239 12.456 -46.451 1.00 1.45 S ATOM 0 H CYS A 42 -25.258 11.614 -44.097 1.00 64.34 H new ATOM 0 HA CYS A 42 -23.287 13.606 -44.730 1.00 63.22 H new ATOM 0 HB2 CYS A 42 -21.929 11.475 -44.365 1.00 24.23 H new ATOM 0 HB3 CYS A 42 -22.796 10.775 -45.717 1.00 24.23 H new ATOM 613 N ASN A 43 -24.364 13.795 -46.977 1.00 74.33 N ATOM 614 CA ASN A 43 -25.156 14.020 -48.180 1.00 24.44 C ATOM 615 C ASN A 43 -26.631 14.204 -47.834 1.00 62.32 C ATOM 616 O ASN A 43 -27.492 14.181 -48.713 1.00 41.33 O ATOM 617 CB ASN A 43 -24.992 12.848 -49.151 1.00 62.32 C ATOM 618 CG ASN A 43 -23.559 12.684 -49.621 1.00 44.30 C ATOM 619 OD1 ASN A 43 -22.642 13.301 -49.078 1.00 33.54 O ATOM 620 ND2 ASN A 43 -23.361 11.848 -50.633 1.00 70.03 N ATOM 0 H ASN A 43 -23.681 14.526 -46.779 1.00 74.33 H new ATOM 0 HA ASN A 43 -24.796 14.932 -48.656 1.00 24.44 H new ATOM 0 HB2 ASN A 43 -25.320 11.929 -48.666 1.00 62.32 H new ATOM 0 HB3 ASN A 43 -25.640 13.001 -50.014 1.00 62.32 H new ATOM 0 HD21 ASN A 43 -22.418 11.695 -50.992 1.00 70.03 H new ATOM 0 HD22 ASN A 43 -24.152 11.358 -51.052 1.00 70.03 H new ATOM 627 N GLU A 44 -26.913 14.386 -46.548 1.00 50.41 N ATOM 628 CA GLU A 44 -28.284 14.574 -46.086 1.00 73.55 C ATOM 629 C GLU A 44 -29.073 13.271 -46.179 1.00 53.22 C ATOM 630 O GLU A 44 -29.816 13.051 -47.134 1.00 11.25 O ATOM 631 CB GLU A 44 -28.977 15.662 -46.907 1.00 2.12 C ATOM 632 CG GLU A 44 -30.124 16.340 -46.175 1.00 71.25 C ATOM 633 CD GLU A 44 -31.252 15.382 -45.845 1.00 43.21 C ATOM 634 OE1 GLU A 44 -31.982 14.981 -46.775 1.00 12.45 O ATOM 635 OE2 GLU A 44 -31.404 15.033 -44.655 1.00 33.23 O ATOM 0 H GLU A 44 -26.211 14.407 -45.808 1.00 50.41 H new ATOM 0 HA GLU A 44 -28.249 14.884 -45.041 1.00 73.55 H new ATOM 0 HB2 GLU A 44 -28.242 16.415 -47.190 1.00 2.12 H new ATOM 0 HB3 GLU A 44 -29.355 15.223 -47.830 1.00 2.12 H new ATOM 0 HG2 GLU A 44 -29.749 16.786 -45.253 1.00 71.25 H new ATOM 0 HG3 GLU A 44 -30.511 17.154 -46.788 1.00 71.25 H new ATOM 642 N GLN A 45 -28.903 12.411 -45.180 1.00 71.11 N ATOM 643 CA GLN A 45 -29.598 11.129 -45.150 1.00 43.01 C ATOM 644 C GLN A 45 -29.210 10.328 -43.911 1.00 41.34 C ATOM 645 O GLN A 45 -28.178 10.587 -43.290 1.00 61.25 O ATOM 646 CB GLN A 45 -29.283 10.325 -46.411 1.00 71.23 C ATOM 647 CG GLN A 45 -27.832 10.431 -46.854 1.00 12.45 C ATOM 648 CD GLN A 45 -27.353 9.193 -47.586 1.00 32.34 C ATOM 649 OE1 GLN A 45 -27.678 8.068 -47.206 1.00 31.33 O ATOM 650 NE2 GLN A 45 -26.575 9.395 -48.644 1.00 24.32 N ATOM 0 H GLN A 45 -28.291 12.578 -44.381 1.00 71.11 H new ATOM 0 HA GLN A 45 -30.669 11.326 -45.112 1.00 43.01 H new ATOM 0 HB2 GLN A 45 -29.524 9.277 -46.233 1.00 71.23 H new ATOM 0 HB3 GLN A 45 -29.927 10.668 -47.221 1.00 71.23 H new ATOM 0 HG2 GLN A 45 -27.717 11.299 -47.503 1.00 12.45 H new ATOM 0 HG3 GLN A 45 -27.201 10.599 -45.981 1.00 12.45 H new ATOM 0 HE21 GLN A 45 -26.331 10.345 -48.923 1.00 24.32 H new ATOM 0 HE22 GLN A 45 -26.222 8.600 -49.177 1.00 24.32 H new ATOM 659 N THR A 46 -30.042 9.355 -43.556 1.00 22.30 N ATOM 660 CA THR A 46 -29.788 8.517 -42.391 1.00 51.33 C ATOM 661 C THR A 46 -29.595 7.060 -42.793 1.00 73.20 C ATOM 662 O THR A 46 -30.444 6.472 -43.464 1.00 15.04 O ATOM 663 CB THR A 46 -30.938 8.609 -41.371 1.00 44.44 C ATOM 664 OG1 THR A 46 -31.759 9.746 -41.660 1.00 22.43 O ATOM 665 CG2 THR A 46 -30.396 8.716 -39.953 1.00 51.40 C ATOM 0 H THR A 46 -30.899 9.127 -44.060 1.00 22.30 H new ATOM 0 HA THR A 46 -28.873 8.887 -41.929 1.00 51.33 H new ATOM 0 HB THR A 46 -31.536 7.701 -41.447 1.00 44.44 H new ATOM 0 HG1 THR A 46 -32.489 9.797 -41.008 1.00 22.43 H new ATOM 0 HG21 THR A 46 -31.226 8.780 -39.250 1.00 51.40 H new ATOM 0 HG22 THR A 46 -29.795 7.835 -39.726 1.00 51.40 H new ATOM 0 HG23 THR A 46 -29.778 9.609 -39.866 1.00 51.40 H new ATOM 673 N LYS A 47 -28.474 6.480 -42.379 1.00 73.00 N ATOM 674 CA LYS A 47 -28.170 5.089 -42.695 1.00 53.45 C ATOM 675 C LYS A 47 -27.617 4.363 -41.473 1.00 71.33 C ATOM 676 O LYS A 47 -26.701 4.849 -40.809 1.00 35.34 O ATOM 677 CB LYS A 47 -27.163 5.013 -43.845 1.00 52.42 C ATOM 678 CG LYS A 47 -25.907 5.836 -43.609 1.00 23.44 C ATOM 679 CD LYS A 47 -24.678 4.952 -43.479 1.00 31.54 C ATOM 680 CE LYS A 47 -23.839 4.974 -44.748 1.00 22.44 C ATOM 681 NZ LYS A 47 -22.728 3.984 -44.696 1.00 74.30 N ATOM 0 H LYS A 47 -27.760 6.952 -41.824 1.00 73.00 H new ATOM 0 HA LYS A 47 -29.096 4.601 -42.999 1.00 53.45 H new ATOM 0 HB2 LYS A 47 -26.881 3.972 -44.002 1.00 52.42 H new ATOM 0 HB3 LYS A 47 -27.644 5.354 -44.761 1.00 52.42 H new ATOM 0 HG2 LYS A 47 -25.768 6.535 -44.434 1.00 23.44 H new ATOM 0 HG3 LYS A 47 -26.026 6.431 -42.704 1.00 23.44 H new ATOM 0 HD2 LYS A 47 -24.074 5.288 -42.636 1.00 31.54 H new ATOM 0 HD3 LYS A 47 -24.986 3.929 -43.263 1.00 31.54 H new ATOM 0 HE2 LYS A 47 -24.475 4.761 -45.607 1.00 22.44 H new ATOM 0 HE3 LYS A 47 -23.429 5.973 -44.895 1.00 22.44 H new ATOM 0 HZ1 LYS A 47 -22.180 4.030 -45.579 1.00 74.30 H new ATOM 0 HZ2 LYS A 47 -22.106 4.202 -43.891 1.00 74.30 H new ATOM 0 HZ3 LYS A 47 -23.120 3.028 -44.582 1.00 74.30 H new ATOM 695 N LYS A 48 -28.178 3.194 -41.181 1.00 45.20 N ATOM 696 CA LYS A 48 -27.740 2.398 -40.040 1.00 1.15 C ATOM 697 C LYS A 48 -26.860 1.238 -40.493 1.00 72.45 C ATOM 698 O LYS A 48 -27.234 0.470 -41.380 1.00 55.15 O ATOM 699 CB LYS A 48 -28.950 1.864 -39.271 1.00 64.21 C ATOM 700 CG LYS A 48 -30.072 2.878 -39.120 1.00 50.14 C ATOM 701 CD LYS A 48 -30.859 2.653 -37.840 1.00 54.22 C ATOM 702 CE LYS A 48 -31.591 1.320 -37.863 1.00 32.53 C ATOM 703 NZ LYS A 48 -32.572 1.245 -38.981 1.00 41.31 N ATOM 0 H LYS A 48 -28.937 2.777 -41.719 1.00 45.20 H new ATOM 0 HA LYS A 48 -27.154 3.041 -39.383 1.00 1.15 H new ATOM 0 HB2 LYS A 48 -29.335 0.982 -39.783 1.00 64.21 H new ATOM 0 HB3 LYS A 48 -28.627 1.542 -38.281 1.00 64.21 H new ATOM 0 HG2 LYS A 48 -29.656 3.885 -39.120 1.00 50.14 H new ATOM 0 HG3 LYS A 48 -30.742 2.810 -39.977 1.00 50.14 H new ATOM 0 HD2 LYS A 48 -30.183 2.683 -36.986 1.00 54.22 H new ATOM 0 HD3 LYS A 48 -31.578 3.462 -37.706 1.00 54.22 H new ATOM 0 HE2 LYS A 48 -30.868 0.510 -37.960 1.00 32.53 H new ATOM 0 HE3 LYS A 48 -32.109 1.174 -36.915 1.00 32.53 H new ATOM 0 HZ1 LYS A 48 -33.210 0.438 -38.829 1.00 41.31 H new ATOM 0 HZ2 LYS A 48 -33.127 2.124 -39.016 1.00 41.31 H new ATOM 0 HZ3 LYS A 48 -32.065 1.120 -39.880 1.00 41.31 H new ATOM 717 N THR A 49 -25.688 1.114 -39.876 1.00 31.30 N ATOM 718 CA THR A 49 -24.755 0.047 -40.215 1.00 24.11 C ATOM 719 C THR A 49 -24.269 -0.676 -38.964 1.00 75.20 C ATOM 720 O THR A 49 -23.832 -0.047 -38.000 1.00 15.12 O ATOM 721 CB THR A 49 -23.537 0.590 -40.986 1.00 31.02 C ATOM 722 OG1 THR A 49 -22.450 0.824 -40.084 1.00 43.10 O ATOM 723 CG2 THR A 49 -23.888 1.881 -41.712 1.00 61.22 C ATOM 0 H THR A 49 -25.363 1.740 -39.139 1.00 31.30 H new ATOM 0 HA THR A 49 -25.295 -0.655 -40.851 1.00 24.11 H new ATOM 0 HB THR A 49 -23.241 -0.155 -41.725 1.00 31.02 H new ATOM 0 HG1 THR A 49 -21.679 1.168 -40.583 1.00 43.10 H new ATOM 0 HG21 THR A 49 -23.013 2.246 -42.249 1.00 61.22 H new ATOM 0 HG22 THR A 49 -24.696 1.693 -42.419 1.00 61.22 H new ATOM 0 HG23 THR A 49 -24.207 2.630 -40.988 1.00 61.22 H new ATOM 731 N LYS A 50 -24.346 -2.002 -38.985 1.00 24.52 N ATOM 732 CA LYS A 50 -23.913 -2.813 -37.853 1.00 33.12 C ATOM 733 C LYS A 50 -22.476 -2.479 -37.464 1.00 31.23 C ATOM 734 O LYS A 50 -21.590 -2.412 -38.318 1.00 3.25 O ATOM 735 CB LYS A 50 -24.029 -4.301 -38.191 1.00 61.20 C ATOM 736 CG LYS A 50 -25.247 -4.970 -37.580 1.00 4.11 C ATOM 737 CD LYS A 50 -26.535 -4.467 -38.211 1.00 62.25 C ATOM 738 CE LYS A 50 -27.032 -5.413 -39.294 1.00 13.31 C ATOM 739 NZ LYS A 50 -28.131 -6.289 -38.802 1.00 34.43 N ATOM 0 H LYS A 50 -24.705 -2.539 -39.775 1.00 24.52 H new ATOM 0 HA LYS A 50 -24.562 -2.588 -37.007 1.00 33.12 H new ATOM 0 HB2 LYS A 50 -24.066 -4.417 -39.274 1.00 61.20 H new ATOM 0 HB3 LYS A 50 -23.132 -4.814 -37.846 1.00 61.20 H new ATOM 0 HG2 LYS A 50 -25.174 -6.050 -37.711 1.00 4.11 H new ATOM 0 HG3 LYS A 50 -25.268 -4.780 -36.507 1.00 4.11 H new ATOM 0 HD2 LYS A 50 -27.300 -4.359 -37.442 1.00 62.25 H new ATOM 0 HD3 LYS A 50 -26.370 -3.478 -38.638 1.00 62.25 H new ATOM 0 HE2 LYS A 50 -27.383 -4.835 -40.149 1.00 13.31 H new ATOM 0 HE3 LYS A 50 -26.205 -6.030 -39.645 1.00 13.31 H new ATOM 0 HZ1 LYS A 50 -28.442 -6.919 -39.569 1.00 34.43 H new ATOM 0 HZ2 LYS A 50 -27.789 -6.860 -38.003 1.00 34.43 H new ATOM 0 HZ3 LYS A 50 -28.930 -5.701 -38.491 1.00 34.43 H new ATOM 753 N CYS A 51 -22.250 -2.273 -36.172 1.00 22.02 N ATOM 754 CA CYS A 51 -20.921 -1.948 -35.669 1.00 13.05 C ATOM 755 C CYS A 51 -20.571 -2.808 -34.458 1.00 22.41 C ATOM 756 O CYS A 51 -21.446 -3.186 -33.678 1.00 41.54 O ATOM 757 CB CYS A 51 -20.843 -0.466 -35.295 1.00 41.01 C ATOM 758 SG CYS A 51 -19.194 0.076 -34.743 1.00 74.41 S ATOM 0 H CYS A 51 -22.971 -2.325 -35.453 1.00 22.02 H new ATOM 0 HA CYS A 51 -20.200 -2.156 -36.460 1.00 13.05 H new ATOM 0 HB2 CYS A 51 -21.140 0.131 -36.157 1.00 41.01 H new ATOM 0 HB3 CYS A 51 -21.564 -0.264 -34.503 1.00 41.01 H new ATOM 764 N LYS A 52 -19.288 -3.114 -34.308 1.00 63.11 N ATOM 765 CA LYS A 52 -18.820 -3.929 -33.192 1.00 33.01 C ATOM 766 C LYS A 52 -18.259 -3.053 -32.077 1.00 21.24 C ATOM 767 O LYS A 52 -17.418 -2.186 -32.317 1.00 22.13 O ATOM 768 CB LYS A 52 -17.750 -4.915 -33.667 1.00 1.23 C ATOM 769 CG LYS A 52 -17.742 -6.222 -32.893 1.00 23.44 C ATOM 770 CD LYS A 52 -17.002 -6.084 -31.574 1.00 12.33 C ATOM 771 CE LYS A 52 -15.581 -6.616 -31.674 1.00 61.12 C ATOM 772 NZ LYS A 52 -15.459 -7.986 -31.101 1.00 10.45 N ATOM 0 H LYS A 52 -18.552 -2.810 -34.945 1.00 63.11 H new ATOM 0 HA LYS A 52 -19.671 -4.486 -32.800 1.00 33.01 H new ATOM 0 HB2 LYS A 52 -17.909 -5.129 -34.724 1.00 1.23 H new ATOM 0 HB3 LYS A 52 -16.770 -4.445 -33.580 1.00 1.23 H new ATOM 0 HG2 LYS A 52 -18.767 -6.541 -32.704 1.00 23.44 H new ATOM 0 HG3 LYS A 52 -17.272 -7.000 -33.495 1.00 23.44 H new ATOM 0 HD2 LYS A 52 -16.979 -5.036 -31.276 1.00 12.33 H new ATOM 0 HD3 LYS A 52 -17.540 -6.625 -30.795 1.00 12.33 H new ATOM 0 HE2 LYS A 52 -15.272 -6.631 -32.719 1.00 61.12 H new ATOM 0 HE3 LYS A 52 -14.903 -5.942 -31.150 1.00 61.12 H new ATOM 0 HZ1 LYS A 52 -14.475 -8.313 -31.188 1.00 10.45 H new ATOM 0 HZ2 LYS A 52 -15.730 -7.968 -30.097 1.00 10.45 H new ATOM 0 HZ3 LYS A 52 -16.087 -8.635 -31.617 1.00 10.45 H new ATOM 786 N VAL A 53 -18.730 -3.285 -30.855 1.00 55.25 N ATOM 787 CA VAL A 53 -18.273 -2.518 -29.702 1.00 62.24 C ATOM 788 C VAL A 53 -17.067 -3.180 -29.045 1.00 21.40 C ATOM 789 O VAL A 53 -16.887 -4.397 -29.103 1.00 73.21 O ATOM 790 CB VAL A 53 -19.392 -2.360 -28.655 1.00 52.43 C ATOM 791 CG1 VAL A 53 -20.646 -1.789 -29.297 1.00 5.43 C ATOM 792 CG2 VAL A 53 -19.686 -3.694 -27.984 1.00 13.44 C ATOM 0 H VAL A 53 -19.427 -3.997 -30.639 1.00 55.25 H new ATOM 0 HA VAL A 53 -17.987 -1.532 -30.070 1.00 62.24 H new ATOM 0 HB VAL A 53 -19.054 -1.661 -27.890 1.00 52.43 H new ATOM 0 HG11 VAL A 53 -21.426 -1.684 -28.543 1.00 5.43 H new ATOM 0 HG12 VAL A 53 -20.423 -0.812 -29.726 1.00 5.43 H new ATOM 0 HG13 VAL A 53 -20.990 -2.461 -30.084 1.00 5.43 H new ATOM 0 HG21 VAL A 53 -20.479 -3.564 -27.247 1.00 13.44 H new ATOM 0 HG22 VAL A 53 -20.004 -4.417 -28.735 1.00 13.44 H new ATOM 0 HG23 VAL A 53 -18.786 -4.058 -27.488 1.00 13.44 H new ATOM 802 N PRO A 54 -16.220 -2.363 -28.402 1.00 13.33 N ATOM 803 CA PRO A 54 -15.017 -2.847 -27.720 1.00 34.23 C ATOM 804 C PRO A 54 -15.344 -3.651 -26.467 1.00 43.11 C ATOM 805 O PRO A 54 -15.233 -3.149 -25.348 1.00 41.34 O ATOM 806 CB PRO A 54 -14.276 -1.559 -27.351 1.00 65.00 C ATOM 807 CG PRO A 54 -15.341 -0.520 -27.268 1.00 31.31 C ATOM 808 CD PRO A 54 -16.373 -0.903 -28.293 1.00 13.41 C ATOM 0 HA PRO A 54 -14.437 -3.524 -28.348 1.00 34.23 H new ATOM 0 HB2 PRO A 54 -13.750 -1.663 -26.402 1.00 65.00 H new ATOM 0 HB3 PRO A 54 -13.530 -1.302 -28.103 1.00 65.00 H new ATOM 0 HG2 PRO A 54 -15.776 -0.486 -26.269 1.00 31.31 H new ATOM 0 HG3 PRO A 54 -14.936 0.471 -27.473 1.00 31.31 H new ATOM 0 HD2 PRO A 54 -17.378 -0.627 -27.974 1.00 13.41 H new ATOM 0 HD3 PRO A 54 -16.194 -0.408 -29.247 1.00 13.41 H new ATOM 816 N CYS A 55 -15.750 -4.902 -26.661 1.00 13.24 N ATOM 817 CA CYS A 55 -16.094 -5.776 -25.547 1.00 41.33 C ATOM 818 C CYS A 55 -15.077 -6.904 -25.406 1.00 62.43 C ATOM 819 O CYS A 55 -14.415 -7.281 -26.372 1.00 75.12 O ATOM 820 CB CYS A 55 -17.495 -6.359 -25.743 1.00 4.12 C ATOM 821 SG CYS A 55 -18.283 -6.933 -24.203 1.00 35.33 S ATOM 0 H CYS A 55 -15.849 -5.333 -27.580 1.00 13.24 H new ATOM 0 HA CYS A 55 -16.079 -5.182 -24.634 1.00 41.33 H new ATOM 0 HB2 CYS A 55 -18.131 -5.603 -26.204 1.00 4.12 H new ATOM 0 HB3 CYS A 55 -17.435 -7.194 -26.441 1.00 4.12 H new ATOM 827 N ASN A 56 -14.958 -7.440 -24.196 1.00 23.42 N ATOM 828 CA ASN A 56 -14.022 -8.525 -23.928 1.00 24.42 C ATOM 829 C ASN A 56 -14.217 -9.668 -24.920 1.00 74.15 C ATOM 830 O ASN A 56 -15.293 -10.258 -25.000 1.00 2.05 O ATOM 831 CB ASN A 56 -14.201 -9.041 -22.498 1.00 11.05 C ATOM 832 CG ASN A 56 -13.177 -8.460 -21.543 1.00 63.12 C ATOM 833 OD1 ASN A 56 -12.984 -7.246 -21.483 1.00 1.23 O ATOM 834 ND2 ASN A 56 -12.513 -9.329 -20.789 1.00 60.32 N ATOM 0 H ASN A 56 -15.499 -7.140 -23.385 1.00 23.42 H new ATOM 0 HA ASN A 56 -13.011 -8.135 -24.042 1.00 24.42 H new ATOM 0 HB2 ASN A 56 -15.203 -8.793 -22.148 1.00 11.05 H new ATOM 0 HB3 ASN A 56 -14.122 -10.128 -22.494 1.00 11.05 H new ATOM 0 HD21 ASN A 56 -11.811 -8.998 -20.127 1.00 60.32 H new ATOM 0 HD22 ASN A 56 -12.705 -10.327 -20.872 1.00 60.32 H new ATOM 941 N GLY A 62 -3.205 -13.239 -34.139 1.00 1.01 N ATOM 942 CA GLY A 62 -2.423 -12.023 -34.019 1.00 0.15 C ATOM 943 C GLY A 62 -1.096 -12.252 -33.324 1.00 20.21 C ATOM 944 O GLY A 62 -0.232 -12.961 -33.840 1.00 65.11 O ATOM 0 HA2 GLY A 62 -2.243 -11.611 -35.012 1.00 0.15 H new ATOM 0 HA3 GLY A 62 -2.996 -11.280 -33.465 1.00 0.15 H new ATOM 948 N ALA A 63 -0.932 -11.649 -32.151 1.00 72.02 N ATOM 949 CA ALA A 63 0.300 -11.792 -31.385 1.00 45.43 C ATOM 950 C ALA A 63 0.234 -13.004 -30.461 1.00 13.23 C ATOM 951 O ALA A 63 1.162 -13.810 -30.413 1.00 52.45 O ATOM 952 CB ALA A 63 0.571 -10.528 -30.582 1.00 34.32 C ATOM 0 H ALA A 63 -1.636 -11.057 -31.711 1.00 72.02 H new ATOM 0 HA ALA A 63 1.120 -11.947 -32.087 1.00 45.43 H new ATOM 0 HB1 ALA A 63 1.494 -10.648 -30.015 1.00 34.32 H new ATOM 0 HB2 ALA A 63 0.670 -9.680 -31.260 1.00 34.32 H new ATOM 0 HB3 ALA A 63 -0.256 -10.349 -29.895 1.00 34.32 H new ATOM 958 N ASP A 64 -0.868 -13.124 -29.729 1.00 60.43 N ATOM 959 CA ASP A 64 -1.055 -14.238 -28.806 1.00 31.11 C ATOM 960 C ASP A 64 0.156 -14.395 -27.892 1.00 24.11 C ATOM 961 O ASP A 64 0.485 -15.502 -27.464 1.00 34.24 O ATOM 962 CB ASP A 64 -1.296 -15.535 -29.581 1.00 34.12 C ATOM 963 CG ASP A 64 -2.053 -16.565 -28.765 1.00 54.50 C ATOM 964 OD1 ASP A 64 -3.079 -16.199 -28.154 1.00 53.15 O ATOM 965 OD2 ASP A 64 -1.620 -17.735 -28.738 1.00 34.13 O ATOM 0 H ASP A 64 -1.645 -12.464 -29.757 1.00 60.43 H new ATOM 0 HA ASP A 64 -1.928 -14.025 -28.189 1.00 31.11 H new ATOM 0 HB2 ASP A 64 -1.855 -15.313 -30.490 1.00 34.12 H new ATOM 0 HB3 ASP A 64 -0.338 -15.953 -29.890 1.00 34.12 H new ATOM 970 N CYS A 65 0.817 -13.281 -27.597 1.00 1.04 N ATOM 971 CA CYS A 65 1.992 -13.293 -26.734 1.00 33.01 C ATOM 972 C CYS A 65 1.828 -12.313 -25.576 1.00 33.32 C ATOM 973 O CYS A 65 1.253 -11.236 -25.736 1.00 73.11 O ATOM 974 CB CYS A 65 3.244 -12.943 -27.540 1.00 74.04 C ATOM 975 SG CYS A 65 3.740 -14.223 -28.738 1.00 14.54 S ATOM 0 H CYS A 65 0.558 -12.357 -27.943 1.00 1.04 H new ATOM 0 HA CYS A 65 2.100 -14.297 -26.323 1.00 33.01 H new ATOM 0 HB2 CYS A 65 3.070 -12.009 -28.074 1.00 74.04 H new ATOM 0 HB3 CYS A 65 4.069 -12.767 -26.850 1.00 74.04 H new ATOM 981 N LYS A 66 2.336 -12.694 -24.409 1.00 54.21 N ATOM 982 CA LYS A 66 2.249 -11.850 -23.224 1.00 44.12 C ATOM 983 C LYS A 66 3.522 -11.029 -23.045 1.00 43.12 C ATOM 984 O LYS A 66 4.608 -11.582 -22.872 1.00 12.41 O ATOM 985 CB LYS A 66 2.002 -12.707 -21.980 1.00 42.20 C ATOM 986 CG LYS A 66 1.795 -11.894 -20.713 1.00 71.21 C ATOM 987 CD LYS A 66 0.318 -11.721 -20.397 1.00 73.22 C ATOM 988 CE LYS A 66 -0.139 -10.291 -20.637 1.00 71.32 C ATOM 989 NZ LYS A 66 -1.586 -10.221 -20.980 1.00 70.31 N ATOM 0 H LYS A 66 2.813 -13.583 -24.259 1.00 54.21 H new ATOM 0 HA LYS A 66 1.412 -11.164 -23.358 1.00 44.12 H new ATOM 0 HB2 LYS A 66 1.125 -13.332 -22.148 1.00 42.20 H new ATOM 0 HB3 LYS A 66 2.849 -13.378 -21.837 1.00 42.20 H new ATOM 0 HG2 LYS A 66 2.291 -12.388 -19.878 1.00 71.21 H new ATOM 0 HG3 LYS A 66 2.261 -10.915 -20.827 1.00 71.21 H new ATOM 0 HD2 LYS A 66 -0.269 -12.400 -21.015 1.00 73.22 H new ATOM 0 HD3 LYS A 66 0.133 -11.994 -19.358 1.00 73.22 H new ATOM 0 HE2 LYS A 66 0.052 -9.694 -19.745 1.00 71.32 H new ATOM 0 HE3 LYS A 66 0.447 -9.853 -21.445 1.00 71.32 H new ATOM 0 HZ1 LYS A 66 -1.858 -9.229 -21.136 1.00 70.31 H new ATOM 0 HZ2 LYS A 66 -1.765 -10.769 -21.845 1.00 70.31 H new ATOM 0 HZ3 LYS A 66 -2.148 -10.615 -20.198 1.00 70.31 H new ATOM 1003 N TYR A 67 3.380 -9.709 -23.087 1.00 60.21 N ATOM 1004 CA TYR A 67 4.519 -8.813 -22.930 1.00 12.13 C ATOM 1005 C TYR A 67 4.552 -8.213 -21.527 1.00 23.21 C ATOM 1006 O TYR A 67 3.585 -8.317 -20.772 1.00 12.40 O ATOM 1007 CB TYR A 67 4.462 -7.695 -23.973 1.00 52.10 C ATOM 1008 CG TYR A 67 4.902 -8.131 -25.353 1.00 43.50 C ATOM 1009 CD1 TYR A 67 6.174 -8.646 -25.567 1.00 24.41 C ATOM 1010 CD2 TYR A 67 4.045 -8.026 -26.441 1.00 72.33 C ATOM 1011 CE1 TYR A 67 6.580 -9.045 -26.825 1.00 72.23 C ATOM 1012 CE2 TYR A 67 4.443 -8.424 -27.703 1.00 4.25 C ATOM 1013 CZ TYR A 67 5.711 -8.932 -27.890 1.00 23.35 C ATOM 1014 OH TYR A 67 6.111 -9.328 -29.146 1.00 61.22 O ATOM 0 H TYR A 67 2.487 -9.236 -23.228 1.00 60.21 H new ATOM 0 HA TYR A 67 5.429 -9.394 -23.078 1.00 12.13 H new ATOM 0 HB2 TYR A 67 3.442 -7.314 -24.029 1.00 52.10 H new ATOM 0 HB3 TYR A 67 5.093 -6.870 -23.643 1.00 52.10 H new ATOM 0 HD1 TYR A 67 6.857 -8.736 -24.735 1.00 24.41 H new ATOM 0 HD2 TYR A 67 3.052 -7.627 -26.298 1.00 72.33 H new ATOM 0 HE1 TYR A 67 7.573 -9.443 -26.974 1.00 72.23 H new ATOM 0 HE2 TYR A 67 3.764 -8.338 -28.539 1.00 4.25 H new ATOM 0 HH TYR A 67 5.380 -9.183 -29.783 1.00 61.22 H new ATOM 1024 N LYS A 68 5.672 -7.587 -21.185 1.00 12.42 N ATOM 1025 CA LYS A 68 5.833 -6.968 -19.875 1.00 55.14 C ATOM 1026 C LYS A 68 6.376 -5.548 -20.006 1.00 71.24 C ATOM 1027 O LYS A 68 7.535 -5.347 -20.369 1.00 20.10 O ATOM 1028 CB LYS A 68 6.774 -7.806 -19.005 1.00 10.14 C ATOM 1029 CG LYS A 68 6.605 -7.560 -17.515 1.00 54.11 C ATOM 1030 CD LYS A 68 5.625 -8.543 -16.895 1.00 54.52 C ATOM 1031 CE LYS A 68 6.303 -9.424 -15.858 1.00 42.24 C ATOM 1032 NZ LYS A 68 5.379 -9.780 -14.744 1.00 71.10 N ATOM 0 H LYS A 68 6.483 -7.495 -21.797 1.00 12.42 H new ATOM 0 HA LYS A 68 4.853 -6.921 -19.401 1.00 55.14 H new ATOM 0 HB2 LYS A 68 6.603 -8.862 -19.212 1.00 10.14 H new ATOM 0 HB3 LYS A 68 7.805 -7.589 -19.286 1.00 10.14 H new ATOM 0 HG2 LYS A 68 7.572 -7.647 -17.019 1.00 54.11 H new ATOM 0 HG3 LYS A 68 6.253 -6.542 -17.351 1.00 54.11 H new ATOM 0 HD2 LYS A 68 4.805 -7.996 -16.430 1.00 54.52 H new ATOM 0 HD3 LYS A 68 5.190 -9.167 -17.676 1.00 54.52 H new ATOM 0 HE2 LYS A 68 6.664 -10.335 -16.335 1.00 42.24 H new ATOM 0 HE3 LYS A 68 7.175 -8.907 -15.456 1.00 42.24 H new ATOM 0 HZ1 LYS A 68 5.878 -10.381 -14.058 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 5.054 -8.912 -14.272 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 4.560 -10.295 -15.124 1.00 71.10 H new ATOM 1046 N PHE A 69 5.532 -4.567 -19.707 1.00 11.15 N ATOM 1047 CA PHE A 69 5.927 -3.166 -19.792 1.00 43.02 C ATOM 1048 C PHE A 69 6.197 -2.593 -18.404 1.00 53.41 C ATOM 1049 O PHE A 69 5.706 -3.107 -17.401 1.00 63.53 O ATOM 1050 CB PHE A 69 4.838 -2.349 -20.491 1.00 13.51 C ATOM 1051 CG PHE A 69 4.972 -2.328 -21.987 1.00 22.34 C ATOM 1052 CD1 PHE A 69 6.142 -1.889 -22.586 1.00 0.42 C ATOM 1053 CD2 PHE A 69 3.927 -2.748 -22.795 1.00 10.10 C ATOM 1054 CE1 PHE A 69 6.267 -1.868 -23.962 1.00 72.13 C ATOM 1055 CE2 PHE A 69 4.047 -2.731 -24.171 1.00 53.04 C ATOM 1056 CZ PHE A 69 5.219 -2.289 -24.755 1.00 35.21 C ATOM 0 H PHE A 69 4.570 -4.716 -19.404 1.00 11.15 H new ATOM 0 HA PHE A 69 6.846 -3.107 -20.375 1.00 43.02 H new ATOM 0 HB2 PHE A 69 3.863 -2.758 -20.227 1.00 13.51 H new ATOM 0 HB3 PHE A 69 4.866 -1.325 -20.117 1.00 13.51 H new ATOM 0 HD1 PHE A 69 6.966 -1.559 -21.970 1.00 0.42 H new ATOM 0 HD2 PHE A 69 3.008 -3.093 -22.344 1.00 10.10 H new ATOM 0 HE1 PHE A 69 7.184 -1.522 -24.416 1.00 72.13 H new ATOM 0 HE2 PHE A 69 3.226 -3.063 -24.790 1.00 53.04 H new ATOM 0 HZ PHE A 69 5.315 -2.273 -25.831 1.00 35.21 H new ATOM 1066 N GLY A 70 6.983 -1.521 -18.356 1.00 63.04 N ATOM 1067 CA GLY A 70 7.306 -0.896 -17.087 1.00 15.53 C ATOM 1068 C GLY A 70 6.955 0.580 -17.061 1.00 74.30 C ATOM 1069 O GLY A 70 5.924 0.969 -16.513 1.00 53.41 O ATOM 0 H GLY A 70 7.401 -1.075 -19.173 1.00 63.04 H new ATOM 0 HA2 GLY A 70 6.771 -1.408 -16.287 1.00 15.53 H new ATOM 0 HA3 GLY A 70 8.371 -1.017 -16.887 1.00 15.53 H new ATOM 1073 N ARG A 71 7.814 1.401 -17.655 1.00 40.40 N ATOM 1074 CA ARG A 71 7.591 2.841 -17.696 1.00 20.21 C ATOM 1075 C ARG A 71 7.701 3.369 -19.124 1.00 23.34 C ATOM 1076 O ARG A 71 7.617 2.604 -20.085 1.00 12.14 O ATOM 1077 CB ARG A 71 8.597 3.560 -16.796 1.00 54.40 C ATOM 1078 CG ARG A 71 8.808 2.881 -15.453 1.00 50.24 C ATOM 1079 CD ARG A 71 8.651 3.862 -14.302 1.00 10.31 C ATOM 1080 NE ARG A 71 9.625 4.948 -14.371 1.00 45.42 N ATOM 1081 CZ ARG A 71 9.667 5.953 -13.503 1.00 63.33 C ATOM 1082 NH1 ARG A 71 8.797 6.008 -12.505 1.00 3.52 N ATOM 1083 NH2 ARG A 71 10.584 6.904 -13.631 1.00 32.34 N ATOM 0 H ARG A 71 8.671 1.094 -18.115 1.00 40.40 H new ATOM 0 HA ARG A 71 6.583 3.037 -17.332 1.00 20.21 H new ATOM 0 HB2 ARG A 71 9.554 3.625 -17.315 1.00 54.40 H new ATOM 0 HB3 ARG A 71 8.255 4.581 -16.627 1.00 54.40 H new ATOM 0 HG2 ARG A 71 8.092 2.067 -15.339 1.00 50.24 H new ATOM 0 HG3 ARG A 71 9.803 2.437 -15.421 1.00 50.24 H new ATOM 0 HD2 ARG A 71 7.643 4.278 -14.315 1.00 10.31 H new ATOM 0 HD3 ARG A 71 8.765 3.332 -13.356 1.00 10.31 H new ATOM 0 HE ARG A 71 10.310 4.934 -15.127 1.00 45.42 H new ATOM 0 HH11 ARG A 71 8.093 5.278 -12.402 1.00 3.52 H new ATOM 0 HH12 ARG A 71 8.832 6.781 -11.840 1.00 3.52 H new ATOM 0 HH21 ARG A 71 11.257 6.864 -14.396 1.00 32.34 H new ATOM 0 HH22 ARG A 71 10.615 7.675 -12.964 1.00 32.34 H new ATOM 1097 N TRP A 72 7.888 4.677 -19.253 1.00 62.53 N ATOM 1098 CA TRP A 72 8.009 5.306 -20.563 1.00 45.02 C ATOM 1099 C TRP A 72 9.201 6.255 -20.603 1.00 33.24 C ATOM 1100 O TRP A 72 9.313 7.087 -21.503 1.00 72.44 O ATOM 1101 CB TRP A 72 6.726 6.064 -20.908 1.00 25.01 C ATOM 1102 CG TRP A 72 5.652 5.187 -21.479 1.00 55.23 C ATOM 1103 CD1 TRP A 72 4.497 4.799 -20.865 1.00 52.41 C ATOM 1104 CD2 TRP A 72 5.638 4.589 -22.780 1.00 62.31 C ATOM 1105 NE1 TRP A 72 3.764 3.995 -21.705 1.00 44.43 N ATOM 1106 CE2 TRP A 72 4.443 3.852 -22.886 1.00 24.24 C ATOM 1107 CE3 TRP A 72 6.517 4.606 -23.866 1.00 61.54 C ATOM 1108 CZ2 TRP A 72 4.107 3.138 -24.034 1.00 53.11 C ATOM 1109 CZ3 TRP A 72 6.184 3.897 -25.004 1.00 3.12 C ATOM 1110 CH2 TRP A 72 4.986 3.172 -25.082 1.00 51.14 C ATOM 0 H TRP A 72 7.959 5.323 -18.467 1.00 62.53 H new ATOM 0 HA TRP A 72 8.169 4.521 -21.302 1.00 45.02 H new ATOM 0 HB2 TRP A 72 6.348 6.551 -20.009 1.00 25.01 H new ATOM 0 HB3 TRP A 72 6.960 6.852 -21.623 1.00 25.01 H new ATOM 0 HD1 TRP A 72 4.202 5.082 -19.865 1.00 52.41 H new ATOM 0 HE1 TRP A 72 2.862 3.574 -21.485 1.00 44.43 H new ATOM 0 HE3 TRP A 72 7.441 5.164 -23.817 1.00 61.54 H new ATOM 0 HZ2 TRP A 72 3.186 2.578 -24.095 1.00 53.11 H new ATOM 0 HZ3 TRP A 72 6.858 3.901 -25.848 1.00 3.12 H new ATOM 0 HH2 TRP A 72 4.753 2.630 -25.987 1.00 51.14 H new ATOM 1121 N ALA A 73 10.089 6.124 -19.624 1.00 51.51 N ATOM 1122 CA ALA A 73 11.275 6.969 -19.550 1.00 63.23 C ATOM 1123 C ALA A 73 10.901 8.446 -19.605 1.00 23.23 C ATOM 1124 O ALA A 73 9.721 8.797 -19.608 1.00 64.50 O ATOM 1125 CB ALA A 73 12.239 6.624 -20.675 1.00 41.42 C ATOM 0 H ALA A 73 10.010 5.441 -18.871 1.00 51.51 H new ATOM 0 HA ALA A 73 11.766 6.781 -18.595 1.00 63.23 H new ATOM 0 HB1 ALA A 73 13.120 7.262 -20.608 1.00 41.42 H new ATOM 0 HB2 ALA A 73 12.540 5.580 -20.589 1.00 41.42 H new ATOM 0 HB3 ALA A 73 11.749 6.782 -21.636 1.00 41.42 H new ATOM 1131 N GLU A 74 11.912 9.307 -19.647 1.00 51.01 N ATOM 1132 CA GLU A 74 11.688 10.747 -19.701 1.00 5.24 C ATOM 1133 C GLU A 74 11.426 11.204 -21.132 1.00 15.41 C ATOM 1134 O GLU A 74 11.743 10.497 -22.089 1.00 14.13 O ATOM 1135 CB GLU A 74 12.892 11.496 -19.126 1.00 34.43 C ATOM 1136 CG GLU A 74 13.238 11.091 -17.703 1.00 2.43 C ATOM 1137 CD GLU A 74 12.328 11.738 -16.676 1.00 41.35 C ATOM 1138 OE1 GLU A 74 12.420 12.970 -16.493 1.00 62.35 O ATOM 1139 OE2 GLU A 74 11.525 11.011 -16.055 1.00 3.13 O ATOM 0 H GLU A 74 12.894 9.033 -19.645 1.00 51.01 H new ATOM 0 HA GLU A 74 10.808 10.974 -19.099 1.00 5.24 H new ATOM 0 HB2 GLU A 74 13.757 11.321 -19.765 1.00 34.43 H new ATOM 0 HB3 GLU A 74 12.689 12.567 -19.151 1.00 34.43 H new ATOM 0 HG2 GLU A 74 13.171 10.007 -17.611 1.00 2.43 H new ATOM 0 HG3 GLU A 74 14.271 11.366 -17.492 1.00 2.43 H new ATOM 1146 N CYS A 75 10.847 12.392 -21.272 1.00 21.21 N ATOM 1147 CA CYS A 75 10.541 12.945 -22.586 1.00 43.14 C ATOM 1148 C CYS A 75 11.800 13.496 -23.251 1.00 45.41 C ATOM 1149 O CYS A 75 12.566 14.237 -22.634 1.00 64.35 O ATOM 1150 CB CYS A 75 9.489 14.049 -22.465 1.00 22.35 C ATOM 1151 SG CYS A 75 7.899 13.489 -21.776 1.00 25.34 S ATOM 0 H CYS A 75 10.580 12.991 -20.491 1.00 21.21 H new ATOM 0 HA CYS A 75 10.145 12.142 -23.208 1.00 43.14 H new ATOM 0 HB2 CYS A 75 9.885 14.846 -21.835 1.00 22.35 H new ATOM 0 HB3 CYS A 75 9.314 14.479 -23.451 1.00 22.35 H new ATOM 1157 N ASP A 76 12.005 13.130 -24.510 1.00 11.34 N ATOM 1158 CA ASP A 76 13.169 13.589 -25.260 1.00 62.51 C ATOM 1159 C ASP A 76 12.797 14.738 -26.192 1.00 74.30 C ATOM 1160 O ASP A 76 11.900 14.610 -27.026 1.00 10.03 O ATOM 1161 CB ASP A 76 13.770 12.436 -26.065 1.00 53.12 C ATOM 1162 CG ASP A 76 15.248 12.633 -26.343 1.00 31.12 C ATOM 1163 OD1 ASP A 76 15.901 13.375 -25.581 1.00 4.41 O ATOM 1164 OD2 ASP A 76 15.750 12.046 -27.325 1.00 40.33 O ATOM 0 H ASP A 76 11.381 12.517 -25.034 1.00 11.34 H new ATOM 0 HA ASP A 76 13.911 13.950 -24.547 1.00 62.51 H new ATOM 0 HB2 ASP A 76 13.627 11.503 -25.520 1.00 53.12 H new ATOM 0 HB3 ASP A 76 13.235 12.339 -27.010 1.00 53.12 H new ATOM 1169 N THR A 77 13.492 15.861 -26.045 1.00 74.04 N ATOM 1170 CA THR A 77 13.234 17.034 -26.871 1.00 33.41 C ATOM 1171 C THR A 77 13.692 16.805 -28.307 1.00 72.10 C ATOM 1172 O THR A 77 13.234 17.478 -29.231 1.00 22.11 O ATOM 1173 CB THR A 77 13.940 18.282 -26.311 1.00 34.00 C ATOM 1174 OG1 THR A 77 15.350 18.196 -26.548 1.00 41.04 O ATOM 1175 CG2 THR A 77 13.679 18.429 -24.819 1.00 33.23 C ATOM 0 H THR A 77 14.239 15.983 -25.361 1.00 74.04 H new ATOM 0 HA THR A 77 12.157 17.200 -26.858 1.00 33.41 H new ATOM 0 HB THR A 77 13.539 19.158 -26.821 1.00 34.00 H new ATOM 0 HG1 THR A 77 15.791 18.995 -26.190 1.00 41.04 H new ATOM 0 HG21 THR A 77 14.188 19.318 -24.446 1.00 33.23 H new ATOM 0 HG22 THR A 77 12.607 18.525 -24.645 1.00 33.23 H new ATOM 0 HG23 THR A 77 14.054 17.550 -24.296 1.00 33.23 H new ATOM 1183 N THR A 78 14.600 15.851 -28.490 1.00 41.21 N ATOM 1184 CA THR A 78 15.122 15.535 -29.813 1.00 25.32 C ATOM 1185 C THR A 78 13.990 15.296 -30.807 1.00 43.21 C ATOM 1186 O THR A 78 13.711 16.139 -31.660 1.00 11.41 O ATOM 1187 CB THR A 78 16.028 14.290 -29.777 1.00 14.43 C ATOM 1188 OG1 THR A 78 17.151 14.527 -28.921 1.00 51.34 O ATOM 1189 CG2 THR A 78 16.515 13.935 -31.174 1.00 70.32 C ATOM 0 H THR A 78 14.989 15.283 -27.737 1.00 41.21 H new ATOM 0 HA THR A 78 15.710 16.394 -30.134 1.00 25.32 H new ATOM 0 HB THR A 78 15.446 13.454 -29.389 1.00 14.43 H new ATOM 0 HG1 THR A 78 17.722 13.730 -28.902 1.00 51.34 H new ATOM 0 HG21 THR A 78 17.153 13.053 -31.124 1.00 70.32 H new ATOM 0 HG22 THR A 78 15.659 13.728 -31.816 1.00 70.32 H new ATOM 0 HG23 THR A 78 17.082 14.770 -31.585 1.00 70.32 H new ATOM 1197 N THR A 79 13.340 14.142 -30.691 1.00 43.41 N ATOM 1198 CA THR A 79 12.239 13.792 -31.579 1.00 15.12 C ATOM 1199 C THR A 79 10.894 14.124 -30.945 1.00 43.41 C ATOM 1200 O THR A 79 9.845 13.958 -31.566 1.00 12.43 O ATOM 1201 CB THR A 79 12.266 12.297 -31.945 1.00 64.11 C ATOM 1202 OG1 THR A 79 11.098 11.956 -32.700 1.00 24.52 O ATOM 1203 CG2 THR A 79 12.336 11.434 -30.694 1.00 1.11 C ATOM 0 H THR A 79 13.558 13.434 -29.990 1.00 43.41 H new ATOM 0 HA THR A 79 12.365 14.383 -32.486 1.00 15.12 H new ATOM 0 HB THR A 79 13.155 12.110 -32.547 1.00 64.11 H new ATOM 0 HG1 THR A 79 10.461 12.700 -32.671 1.00 24.52 H new ATOM 0 HG21 THR A 79 12.354 10.382 -30.978 1.00 1.11 H new ATOM 0 HG22 THR A 79 13.241 11.675 -30.136 1.00 1.11 H new ATOM 0 HG23 THR A 79 11.463 11.626 -30.070 1.00 1.11 H new ATOM 1211 N GLY A 80 10.931 14.596 -29.701 1.00 14.52 N ATOM 1212 CA GLY A 80 9.708 14.945 -29.004 1.00 4.22 C ATOM 1213 C GLY A 80 8.972 13.727 -28.479 1.00 13.14 C ATOM 1214 O GLY A 80 7.899 13.848 -27.886 1.00 72.21 O ATOM 0 H GLY A 80 11.786 14.742 -29.165 1.00 14.52 H new ATOM 0 HA2 GLY A 80 9.944 15.609 -28.173 1.00 4.22 H new ATOM 0 HA3 GLY A 80 9.054 15.498 -29.678 1.00 4.22 H new ATOM 1218 N THR A 81 9.548 12.550 -28.697 1.00 35.43 N ATOM 1219 CA THR A 81 8.939 11.305 -28.246 1.00 53.22 C ATOM 1220 C THR A 81 9.957 10.423 -27.532 1.00 72.01 C ATOM 1221 O THR A 81 11.160 10.524 -27.775 1.00 34.43 O ATOM 1222 CB THR A 81 8.331 10.518 -29.422 1.00 32.34 C ATOM 1223 OG1 THR A 81 9.373 9.985 -30.247 1.00 62.43 O ATOM 1224 CG2 THR A 81 7.422 11.409 -30.257 1.00 74.24 C ATOM 0 H THR A 81 10.437 12.432 -29.184 1.00 35.43 H new ATOM 0 HA THR A 81 8.144 11.576 -27.551 1.00 53.22 H new ATOM 0 HB THR A 81 7.737 9.700 -29.014 1.00 32.34 H new ATOM 0 HG1 THR A 81 8.977 9.485 -30.991 1.00 62.43 H new ATOM 0 HG21 THR A 81 7.004 10.832 -31.082 1.00 74.24 H new ATOM 0 HG22 THR A 81 6.613 11.789 -29.634 1.00 74.24 H new ATOM 0 HG23 THR A 81 7.997 12.245 -30.655 1.00 74.24 H new ATOM 1232 N ARG A 82 9.467 9.559 -26.649 1.00 73.14 N ATOM 1233 CA ARG A 82 10.335 8.659 -25.899 1.00 42.10 C ATOM 1234 C ARG A 82 10.045 7.203 -26.252 1.00 32.04 C ATOM 1235 O ARG A 82 8.900 6.834 -26.512 1.00 75.22 O ATOM 1236 CB ARG A 82 10.152 8.876 -24.396 1.00 43.35 C ATOM 1237 CG ARG A 82 11.130 8.083 -23.543 1.00 3.31 C ATOM 1238 CD ARG A 82 12.572 8.410 -23.898 1.00 1.31 C ATOM 1239 NE ARG A 82 13.274 7.254 -24.448 1.00 35.11 N ATOM 1240 CZ ARG A 82 14.469 7.327 -25.024 1.00 53.35 C ATOM 1241 NH1 ARG A 82 15.092 8.494 -25.122 1.00 72.03 N ATOM 1242 NH2 ARG A 82 15.046 6.231 -25.501 1.00 21.31 N ATOM 0 H ARG A 82 8.474 9.463 -26.436 1.00 73.14 H new ATOM 0 HA ARG A 82 11.367 8.881 -26.169 1.00 42.10 H new ATOM 0 HB2 ARG A 82 10.267 9.937 -24.174 1.00 43.35 H new ATOM 0 HB3 ARG A 82 9.135 8.600 -24.119 1.00 43.35 H new ATOM 0 HG2 ARG A 82 10.955 8.301 -22.489 1.00 3.31 H new ATOM 0 HG3 ARG A 82 10.953 7.016 -23.681 1.00 3.31 H new ATOM 0 HD2 ARG A 82 12.592 9.225 -24.622 1.00 1.31 H new ATOM 0 HD3 ARG A 82 13.094 8.762 -23.008 1.00 1.31 H new ATOM 0 HE ARG A 82 12.823 6.341 -24.387 1.00 35.11 H new ATOM 0 HH11 ARG A 82 14.654 9.339 -24.755 1.00 72.03 H new ATOM 0 HH12 ARG A 82 16.009 8.547 -25.565 1.00 72.03 H new ATOM 0 HH21 ARG A 82 14.572 5.331 -25.426 1.00 21.31 H new ATOM 0 HH22 ARG A 82 15.963 6.289 -25.943 1.00 21.31 H new ATOM 1256 N SER A 83 11.090 6.382 -26.260 1.00 24.43 N ATOM 1257 CA SER A 83 10.948 4.968 -26.586 1.00 70.35 C ATOM 1258 C SER A 83 11.108 4.104 -25.337 1.00 32.44 C ATOM 1259 O SER A 83 11.935 4.391 -24.472 1.00 11.42 O ATOM 1260 CB SER A 83 11.980 4.559 -27.638 1.00 54.14 C ATOM 1261 OG SER A 83 13.293 4.902 -27.226 1.00 24.24 O ATOM 0 H SER A 83 12.044 6.672 -26.045 1.00 24.43 H new ATOM 0 HA SER A 83 9.947 4.812 -26.989 1.00 70.35 H new ATOM 0 HB2 SER A 83 11.919 3.485 -27.813 1.00 54.14 H new ATOM 0 HB3 SER A 83 11.753 5.049 -28.585 1.00 54.14 H new ATOM 0 HG SER A 83 13.934 4.628 -27.915 1.00 24.24 H new ATOM 1267 N ARG A 84 10.311 3.044 -25.253 1.00 14.12 N ATOM 1268 CA ARG A 84 10.362 2.139 -24.112 1.00 61.44 C ATOM 1269 C ARG A 84 10.639 0.708 -24.565 1.00 14.21 C ATOM 1270 O ARG A 84 10.149 0.270 -25.606 1.00 53.41 O ATOM 1271 CB ARG A 84 9.048 2.192 -23.332 1.00 3.22 C ATOM 1272 CG ARG A 84 8.901 1.080 -22.307 1.00 60.41 C ATOM 1273 CD ARG A 84 9.985 1.155 -21.244 1.00 21.03 C ATOM 1274 NE ARG A 84 10.200 -0.132 -20.588 1.00 32.15 N ATOM 1275 CZ ARG A 84 10.912 -0.281 -19.477 1.00 51.03 C ATOM 1276 NH1 ARG A 84 11.475 0.771 -18.900 1.00 13.13 N ATOM 1277 NH2 ARG A 84 11.062 -1.485 -18.940 1.00 21.51 N ATOM 0 H ARG A 84 9.622 2.791 -25.962 1.00 14.12 H new ATOM 0 HA ARG A 84 11.176 2.461 -23.462 1.00 61.44 H new ATOM 0 HB2 ARG A 84 8.976 3.154 -22.824 1.00 3.22 H new ATOM 0 HB3 ARG A 84 8.216 2.139 -24.035 1.00 3.22 H new ATOM 0 HG2 ARG A 84 7.921 1.147 -21.834 1.00 60.41 H new ATOM 0 HG3 ARG A 84 8.948 0.113 -22.808 1.00 60.41 H new ATOM 0 HD2 ARG A 84 10.917 1.489 -21.700 1.00 21.03 H new ATOM 0 HD3 ARG A 84 9.710 1.900 -20.498 1.00 21.03 H new ATOM 0 HE ARG A 84 9.780 -0.962 -21.006 1.00 32.15 H new ATOM 0 HH11 ARG A 84 11.362 1.698 -19.309 1.00 13.13 H new ATOM 0 HH12 ARG A 84 12.021 0.653 -18.047 1.00 13.13 H new ATOM 0 HH21 ARG A 84 10.630 -2.297 -19.381 1.00 21.51 H new ATOM 0 HH22 ARG A 84 11.609 -1.598 -18.087 1.00 21.51 H new ATOM 1291 N SER A 85 11.428 -0.015 -23.776 1.00 21.45 N ATOM 1292 CA SER A 85 11.773 -1.394 -24.098 1.00 61.32 C ATOM 1293 C SER A 85 11.211 -2.354 -23.053 1.00 53.04 C ATOM 1294 O SER A 85 11.458 -2.201 -21.857 1.00 11.31 O ATOM 1295 CB SER A 85 13.292 -1.554 -24.189 1.00 33.34 C ATOM 1296 OG SER A 85 13.861 -1.755 -22.908 1.00 44.12 O ATOM 0 H SER A 85 11.840 0.332 -22.910 1.00 21.45 H new ATOM 0 HA SER A 85 11.330 -1.637 -25.064 1.00 61.32 H new ATOM 0 HB2 SER A 85 13.534 -2.398 -24.834 1.00 33.34 H new ATOM 0 HB3 SER A 85 13.727 -0.667 -24.649 1.00 33.34 H new ATOM 0 HG SER A 85 13.176 -1.619 -22.221 1.00 44.12 H new ATOM 1302 N GLY A 86 10.453 -3.344 -23.514 1.00 54.12 N ATOM 1303 CA GLY A 86 9.867 -4.314 -22.607 1.00 72.23 C ATOM 1304 C GLY A 86 10.293 -5.735 -22.924 1.00 2.44 C ATOM 1305 O GLY A 86 10.922 -5.988 -23.951 1.00 73.00 O ATOM 0 H GLY A 86 10.234 -3.492 -24.499 1.00 54.12 H new ATOM 0 HA2 GLY A 86 10.155 -4.071 -21.584 1.00 72.23 H new ATOM 0 HA3 GLY A 86 8.780 -4.244 -22.657 1.00 72.23 H new ATOM 1309 N THR A 87 9.948 -6.665 -22.038 1.00 11.11 N ATOM 1310 CA THR A 87 10.300 -8.066 -22.227 1.00 2.22 C ATOM 1311 C THR A 87 9.067 -8.958 -22.148 1.00 64.51 C ATOM 1312 O THR A 87 8.159 -8.712 -21.351 1.00 72.23 O ATOM 1313 CB THR A 87 11.326 -8.534 -21.178 1.00 41.34 C ATOM 1314 OG1 THR A 87 10.724 -8.551 -19.879 1.00 43.24 O ATOM 1315 CG2 THR A 87 12.543 -7.622 -21.166 1.00 31.20 C ATOM 0 H THR A 87 9.426 -6.473 -21.183 1.00 11.11 H new ATOM 0 HA THR A 87 10.743 -8.149 -23.220 1.00 2.22 H new ATOM 0 HB THR A 87 11.649 -9.541 -21.442 1.00 41.34 H new ATOM 0 HG1 THR A 87 11.382 -8.851 -19.218 1.00 43.24 H new ATOM 0 HG21 THR A 87 13.253 -7.973 -20.417 1.00 31.20 H new ATOM 0 HG22 THR A 87 13.016 -7.633 -22.148 1.00 31.20 H new ATOM 0 HG23 THR A 87 12.233 -6.605 -20.924 1.00 31.20 H new ATOM 1323 N LEU A 88 9.037 -9.995 -22.978 1.00 52.43 N ATOM 1324 CA LEU A 88 7.914 -10.925 -23.002 1.00 62.25 C ATOM 1325 C LEU A 88 8.211 -12.158 -22.155 1.00 63.44 C ATOM 1326 O LEU A 88 9.347 -12.628 -22.098 1.00 75.31 O ATOM 1327 CB LEU A 88 7.603 -11.343 -24.440 1.00 42.22 C ATOM 1328 CG LEU A 88 8.183 -12.684 -24.890 1.00 64.32 C ATOM 1329 CD1 LEU A 88 7.412 -13.225 -26.084 1.00 74.13 C ATOM 1330 CD2 LEU A 88 9.660 -12.540 -25.226 1.00 61.11 C ATOM 0 H LEU A 88 9.778 -10.213 -23.644 1.00 52.43 H new ATOM 0 HA LEU A 88 7.045 -10.418 -22.582 1.00 62.25 H new ATOM 0 HB2 LEU A 88 6.520 -11.380 -24.560 1.00 42.22 H new ATOM 0 HB3 LEU A 88 7.972 -10.567 -25.111 1.00 42.22 H new ATOM 0 HG LEU A 88 8.086 -13.395 -24.069 1.00 64.32 H new ATOM 0 HD11 LEU A 88 7.839 -14.180 -26.390 1.00 74.13 H new ATOM 0 HD12 LEU A 88 6.367 -13.366 -25.808 1.00 74.13 H new ATOM 0 HD13 LEU A 88 7.477 -12.517 -26.910 1.00 74.13 H new ATOM 0 HD21 LEU A 88 10.056 -13.504 -25.544 1.00 61.11 H new ATOM 0 HD22 LEU A 88 9.781 -11.814 -26.030 1.00 61.11 H new ATOM 0 HD23 LEU A 88 10.202 -12.198 -24.344 1.00 61.11 H new ATOM 1342 N LYS A 89 7.180 -12.681 -21.498 1.00 70.21 N ATOM 1343 CA LYS A 89 7.328 -13.863 -20.657 1.00 12.12 C ATOM 1344 C LYS A 89 7.156 -15.138 -21.475 1.00 74.34 C ATOM 1345 O LYS A 89 8.128 -15.836 -21.768 1.00 31.21 O ATOM 1346 CB LYS A 89 6.307 -13.834 -19.518 1.00 50.32 C ATOM 1347 CG LYS A 89 6.887 -13.373 -18.192 1.00 54.50 C ATOM 1348 CD LYS A 89 6.579 -14.356 -17.075 1.00 12.00 C ATOM 1349 CE LYS A 89 6.427 -13.649 -15.737 1.00 31.53 C ATOM 1350 NZ LYS A 89 6.028 -14.592 -14.655 1.00 21.14 N ATOM 0 H LYS A 89 6.233 -12.304 -21.532 1.00 70.21 H new ATOM 0 HA LYS A 89 8.334 -13.855 -20.236 1.00 12.12 H new ATOM 0 HB2 LYS A 89 5.485 -13.173 -19.795 1.00 50.32 H new ATOM 0 HB3 LYS A 89 5.886 -14.832 -19.393 1.00 50.32 H new ATOM 0 HG2 LYS A 89 7.967 -13.256 -18.287 1.00 54.50 H new ATOM 0 HG3 LYS A 89 6.482 -12.394 -17.938 1.00 54.50 H new ATOM 0 HD2 LYS A 89 5.662 -14.897 -17.308 1.00 12.00 H new ATOM 0 HD3 LYS A 89 7.378 -15.095 -17.009 1.00 12.00 H new ATOM 0 HE2 LYS A 89 7.368 -13.168 -15.471 1.00 31.53 H new ATOM 0 HE3 LYS A 89 5.680 -12.860 -15.825 1.00 31.53 H new ATOM 0 HZ1 LYS A 89 5.935 -14.073 -13.759 1.00 21.14 H new ATOM 0 HZ2 LYS A 89 5.117 -15.032 -14.897 1.00 21.14 H new ATOM 0 HZ3 LYS A 89 6.753 -15.330 -14.553 1.00 21.14 H new ATOM 1364 N LYS A 90 5.914 -15.437 -21.842 1.00 72.54 N ATOM 1365 CA LYS A 90 5.615 -16.627 -22.629 1.00 20.53 C ATOM 1366 C LYS A 90 5.884 -16.383 -24.111 1.00 42.25 C ATOM 1367 O LYS A 90 5.351 -15.443 -24.700 1.00 52.31 O ATOM 1368 CB LYS A 90 4.156 -17.045 -22.427 1.00 53.21 C ATOM 1369 CG LYS A 90 3.884 -18.497 -22.777 1.00 75.32 C ATOM 1370 CD LYS A 90 3.028 -19.175 -21.721 1.00 3.32 C ATOM 1371 CE LYS A 90 1.836 -19.888 -22.343 1.00 73.03 C ATOM 1372 NZ LYS A 90 0.594 -19.072 -22.255 1.00 54.20 N ATOM 0 H LYS A 90 5.099 -14.871 -21.607 1.00 72.54 H new ATOM 0 HA LYS A 90 6.268 -17.430 -22.287 1.00 20.53 H new ATOM 0 HB2 LYS A 90 3.878 -16.873 -21.387 1.00 53.21 H new ATOM 0 HB3 LYS A 90 3.517 -16.407 -23.037 1.00 53.21 H new ATOM 0 HG2 LYS A 90 3.382 -18.551 -23.743 1.00 75.32 H new ATOM 0 HG3 LYS A 90 4.829 -19.031 -22.878 1.00 75.32 H new ATOM 0 HD2 LYS A 90 3.633 -19.892 -21.166 1.00 3.32 H new ATOM 0 HD3 LYS A 90 2.676 -18.433 -21.005 1.00 3.32 H new ATOM 0 HE2 LYS A 90 2.051 -20.111 -23.388 1.00 73.03 H new ATOM 0 HE3 LYS A 90 1.680 -20.842 -21.839 1.00 73.03 H new ATOM 0 HZ1 LYS A 90 -0.183 -19.570 -22.734 1.00 54.20 H new ATOM 0 HZ2 LYS A 90 0.346 -18.924 -21.256 1.00 54.20 H new ATOM 0 HZ3 LYS A 90 0.750 -18.152 -22.713 1.00 54.20 H new ATOM 1386 N ALA A 91 6.712 -17.235 -24.706 1.00 52.44 N ATOM 1387 CA ALA A 91 7.048 -17.112 -26.119 1.00 71.02 C ATOM 1388 C ALA A 91 6.093 -17.928 -26.984 1.00 63.24 C ATOM 1389 O ALA A 91 6.288 -19.129 -27.177 1.00 30.23 O ATOM 1390 CB ALA A 91 8.486 -17.549 -26.359 1.00 33.13 C ATOM 0 H ALA A 91 7.162 -18.018 -24.232 1.00 52.44 H new ATOM 0 HA ALA A 91 6.946 -16.064 -26.402 1.00 71.02 H new ATOM 0 HB1 ALA A 91 8.724 -17.452 -27.418 1.00 33.13 H new ATOM 0 HB2 ALA A 91 9.159 -16.920 -25.777 1.00 33.13 H new ATOM 0 HB3 ALA A 91 8.606 -18.588 -26.054 1.00 33.13 H new ATOM 1396 N LEU A 92 5.061 -17.270 -27.500 1.00 55.44 N ATOM 1397 CA LEU A 92 4.075 -17.936 -28.345 1.00 41.53 C ATOM 1398 C LEU A 92 4.133 -17.404 -29.773 1.00 0.01 C ATOM 1399 O LEU A 92 5.033 -16.641 -30.126 1.00 31.23 O ATOM 1400 CB LEU A 92 2.670 -17.739 -27.772 1.00 2.42 C ATOM 1401 CG LEU A 92 2.479 -18.140 -26.309 1.00 52.40 C ATOM 1402 CD1 LEU A 92 1.020 -17.999 -25.903 1.00 34.23 C ATOM 1403 CD2 LEU A 92 2.963 -19.564 -26.078 1.00 35.03 C ATOM 0 H LEU A 92 4.885 -16.277 -27.349 1.00 55.44 H new ATOM 0 HA LEU A 92 4.308 -19.001 -28.364 1.00 41.53 H new ATOM 0 HB2 LEU A 92 2.400 -16.688 -27.878 1.00 2.42 H new ATOM 0 HB3 LEU A 92 1.968 -18.311 -28.379 1.00 2.42 H new ATOM 0 HG LEU A 92 3.074 -17.470 -25.688 1.00 52.40 H new ATOM 0 HD11 LEU A 92 0.903 -18.289 -24.859 1.00 34.23 H new ATOM 0 HD12 LEU A 92 0.706 -16.963 -26.029 1.00 34.23 H new ATOM 0 HD13 LEU A 92 0.404 -18.644 -26.530 1.00 34.23 H new ATOM 0 HD21 LEU A 92 2.819 -19.832 -25.031 1.00 35.03 H new ATOM 0 HD22 LEU A 92 2.395 -20.248 -26.709 1.00 35.03 H new ATOM 0 HD23 LEU A 92 4.022 -19.634 -26.328 1.00 35.03 H new ATOM 1415 N PHE A 93 3.167 -17.810 -30.590 1.00 71.21 N ATOM 1416 CA PHE A 93 3.108 -17.375 -31.980 1.00 52.31 C ATOM 1417 C PHE A 93 4.367 -17.791 -32.735 1.00 64.11 C ATOM 1418 O PHE A 93 5.428 -17.191 -32.571 1.00 41.25 O ATOM 1419 CB PHE A 93 2.934 -15.856 -32.054 1.00 62.34 C ATOM 1420 CG PHE A 93 2.953 -15.318 -33.456 1.00 0.12 C ATOM 1421 CD1 PHE A 93 1.846 -15.451 -34.278 1.00 23.33 C ATOM 1422 CD2 PHE A 93 4.078 -14.678 -33.952 1.00 4.32 C ATOM 1423 CE1 PHE A 93 1.861 -14.958 -35.569 1.00 23.04 C ATOM 1424 CE2 PHE A 93 4.098 -14.181 -35.241 1.00 52.12 C ATOM 1425 CZ PHE A 93 2.988 -14.321 -36.050 1.00 11.45 C ATOM 0 H PHE A 93 2.414 -18.440 -30.313 1.00 71.21 H new ATOM 0 HA PHE A 93 2.249 -17.856 -32.449 1.00 52.31 H new ATOM 0 HB2 PHE A 93 1.990 -15.583 -31.581 1.00 62.34 H new ATOM 0 HB3 PHE A 93 3.728 -15.379 -31.480 1.00 62.34 H new ATOM 0 HD1 PHE A 93 0.961 -15.946 -33.906 1.00 23.33 H new ATOM 0 HD2 PHE A 93 4.949 -14.567 -33.323 1.00 4.32 H new ATOM 0 HE1 PHE A 93 0.992 -15.071 -36.201 1.00 23.04 H new ATOM 0 HE2 PHE A 93 4.981 -13.684 -35.615 1.00 52.12 H new ATOM 0 HZ PHE A 93 3.001 -13.933 -37.058 1.00 11.45 H new ATOM 1435 N ASN A 94 4.239 -18.823 -33.562 1.00 35.02 N ATOM 1436 CA ASN A 94 5.367 -19.320 -34.342 1.00 20.43 C ATOM 1437 C ASN A 94 6.464 -19.860 -33.430 1.00 61.05 C ATOM 1438 O ASN A 94 6.245 -20.068 -32.236 1.00 74.01 O ATOM 1439 CB ASN A 94 5.928 -18.210 -35.233 1.00 21.12 C ATOM 1440 CG ASN A 94 4.862 -17.570 -36.100 1.00 30.35 C ATOM 1441 OD1 ASN A 94 3.868 -17.047 -35.596 1.00 12.31 O ATOM 1442 ND2 ASN A 94 5.064 -17.610 -37.412 1.00 0.22 N ATOM 0 H ASN A 94 3.367 -19.331 -33.710 1.00 35.02 H new ATOM 0 HA ASN A 94 5.009 -20.135 -34.972 1.00 20.43 H new ATOM 0 HB2 ASN A 94 6.391 -17.446 -34.609 1.00 21.12 H new ATOM 0 HB3 ASN A 94 6.712 -18.620 -35.869 1.00 21.12 H new ATOM 0 HD21 ASN A 94 4.380 -17.197 -38.046 1.00 0.22 H new ATOM 0 HD22 ASN A 94 5.903 -18.054 -37.786 1.00 0.22 H new ATOM 1449 N ALA A 95 7.644 -20.082 -33.999 1.00 24.31 N ATOM 1450 CA ALA A 95 8.776 -20.593 -33.237 1.00 23.32 C ATOM 1451 C ALA A 95 8.916 -19.864 -31.904 1.00 14.14 C ATOM 1452 O ALA A 95 9.246 -20.470 -30.887 1.00 1.10 O ATOM 1453 CB ALA A 95 10.058 -20.469 -34.047 1.00 1.44 C ATOM 0 H ALA A 95 7.841 -19.916 -34.986 1.00 24.31 H new ATOM 0 HA ALA A 95 8.594 -21.647 -33.027 1.00 23.32 H new ATOM 0 HB1 ALA A 95 10.895 -20.855 -33.465 1.00 1.44 H new ATOM 0 HB2 ALA A 95 9.963 -21.042 -34.969 1.00 1.44 H new ATOM 0 HB3 ALA A 95 10.236 -19.421 -34.288 1.00 1.44 H new ATOM 1459 N GLU A 96 8.663 -18.559 -31.921 1.00 33.33 N ATOM 1460 CA GLU A 96 8.763 -17.747 -30.714 1.00 42.22 C ATOM 1461 C GLU A 96 8.429 -16.288 -31.010 1.00 15.22 C ATOM 1462 O GLU A 96 8.341 -15.882 -32.170 1.00 53.43 O ATOM 1463 CB GLU A 96 10.169 -17.849 -30.118 1.00 20.54 C ATOM 1464 CG GLU A 96 11.277 -17.683 -31.144 1.00 31.53 C ATOM 1465 CD GLU A 96 12.450 -16.883 -30.611 1.00 74.31 C ATOM 1466 OE1 GLU A 96 12.213 -15.873 -29.916 1.00 22.33 O ATOM 1467 OE2 GLU A 96 13.605 -17.268 -30.890 1.00 10.21 O ATOM 0 H GLU A 96 8.388 -18.042 -32.756 1.00 33.33 H new ATOM 0 HA GLU A 96 8.041 -18.127 -29.991 1.00 42.22 H new ATOM 0 HB2 GLU A 96 10.283 -17.088 -29.346 1.00 20.54 H new ATOM 0 HB3 GLU A 96 10.279 -18.818 -29.630 1.00 20.54 H new ATOM 0 HG2 GLU A 96 11.626 -18.666 -31.459 1.00 31.53 H new ATOM 0 HG3 GLU A 96 10.877 -17.188 -32.029 1.00 31.53 H new ATOM 1474 N CYS A 97 8.242 -15.503 -29.954 1.00 62.53 N ATOM 1475 CA CYS A 97 7.918 -14.090 -30.099 1.00 11.05 C ATOM 1476 C CYS A 97 9.143 -13.219 -29.835 1.00 62.42 C ATOM 1477 O CYS A 97 10.152 -13.694 -29.314 1.00 24.41 O ATOM 1478 CB CYS A 97 6.788 -13.704 -29.141 1.00 73.22 C ATOM 1479 SG CYS A 97 5.157 -13.552 -29.939 1.00 53.22 S ATOM 0 H CYS A 97 8.310 -15.823 -28.988 1.00 62.53 H new ATOM 0 HA CYS A 97 7.590 -13.922 -31.125 1.00 11.05 H new ATOM 0 HB2 CYS A 97 6.725 -14.451 -28.350 1.00 73.22 H new ATOM 0 HB3 CYS A 97 7.038 -12.756 -28.665 1.00 73.22 H new ATOM 1485 N GLN A 98 9.046 -11.944 -30.197 1.00 22.51 N ATOM 1486 CA GLN A 98 10.146 -11.008 -29.998 1.00 74.24 C ATOM 1487 C GLN A 98 10.569 -10.968 -28.533 1.00 14.33 C ATOM 1488 O GLN A 98 9.729 -10.923 -27.634 1.00 13.24 O ATOM 1489 CB GLN A 98 9.743 -9.609 -30.465 1.00 14.31 C ATOM 1490 CG GLN A 98 9.965 -9.374 -31.950 1.00 20.40 C ATOM 1491 CD GLN A 98 9.949 -10.661 -32.752 1.00 0.44 C ATOM 1492 OE1 GLN A 98 8.889 -11.235 -33.007 1.00 43.32 O ATOM 1493 NE2 GLN A 98 11.126 -11.122 -33.157 1.00 55.22 N ATOM 0 H GLN A 98 8.217 -11.536 -30.629 1.00 22.51 H new ATOM 0 HA GLN A 98 10.994 -11.350 -30.591 1.00 74.24 H new ATOM 0 HB2 GLN A 98 8.690 -9.448 -30.234 1.00 14.31 H new ATOM 0 HB3 GLN A 98 10.310 -8.869 -29.900 1.00 14.31 H new ATOM 0 HG2 GLN A 98 9.192 -8.705 -32.328 1.00 20.40 H new ATOM 0 HG3 GLN A 98 10.921 -8.871 -32.096 1.00 20.40 H new ATOM 0 HE21 GLN A 98 11.980 -10.615 -32.924 1.00 55.22 H new ATOM 0 HE22 GLN A 98 11.177 -11.983 -33.701 1.00 55.22 H new ATOM 1502 N THR A 99 11.878 -10.984 -28.300 1.00 21.23 N ATOM 1503 CA THR A 99 12.412 -10.950 -26.945 1.00 63.21 C ATOM 1504 C THR A 99 12.528 -9.518 -26.435 1.00 63.12 C ATOM 1505 O THR A 99 13.092 -9.271 -25.368 1.00 73.45 O ATOM 1506 CB THR A 99 13.796 -11.623 -26.869 1.00 71.41 C ATOM 1507 OG1 THR A 99 14.374 -11.702 -28.177 1.00 13.21 O ATOM 1508 CG2 THR A 99 13.687 -13.019 -26.273 1.00 50.42 C ATOM 0 H THR A 99 12.587 -11.020 -29.032 1.00 21.23 H new ATOM 0 HA THR A 99 11.713 -11.501 -26.316 1.00 63.21 H new ATOM 0 HB THR A 99 14.435 -11.019 -26.225 1.00 71.41 H new ATOM 0 HG1 THR A 99 15.254 -12.129 -28.120 1.00 13.21 H new ATOM 0 HG21 THR A 99 14.676 -13.474 -26.229 1.00 50.42 H new ATOM 0 HG22 THR A 99 13.273 -12.954 -25.267 1.00 50.42 H new ATOM 0 HG23 THR A 99 13.033 -13.630 -26.895 1.00 50.42 H new ATOM 1516 N THR A 100 11.990 -8.577 -27.202 1.00 11.54 N ATOM 1517 CA THR A 100 12.034 -7.168 -26.829 1.00 1.30 C ATOM 1518 C THR A 100 11.018 -6.357 -27.624 1.00 12.44 C ATOM 1519 O THR A 100 10.700 -6.690 -28.766 1.00 24.13 O ATOM 1520 CB THR A 100 13.437 -6.571 -27.049 1.00 62.00 C ATOM 1521 OG1 THR A 100 14.378 -7.617 -27.316 1.00 24.44 O ATOM 1522 CG2 THR A 100 13.884 -5.778 -25.831 1.00 55.14 C ATOM 0 H THR A 100 11.518 -8.764 -28.087 1.00 11.54 H new ATOM 0 HA THR A 100 11.788 -7.114 -25.769 1.00 1.30 H new ATOM 0 HB THR A 100 13.391 -5.897 -27.905 1.00 62.00 H new ATOM 0 HG1 THR A 100 15.267 -7.229 -27.456 1.00 24.44 H new ATOM 0 HG21 THR A 100 14.877 -5.366 -26.009 1.00 55.14 H new ATOM 0 HG22 THR A 100 13.181 -4.965 -25.648 1.00 55.14 H new ATOM 0 HG23 THR A 100 13.914 -6.434 -24.961 1.00 55.14 H new ATOM 1530 N ILE A 101 10.513 -5.289 -27.015 1.00 30.12 N ATOM 1531 CA ILE A 101 9.534 -4.429 -27.668 1.00 51.20 C ATOM 1532 C ILE A 101 10.091 -3.025 -27.881 1.00 72.21 C ATOM 1533 O ILE A 101 10.797 -2.489 -27.026 1.00 21.12 O ATOM 1534 CB ILE A 101 8.232 -4.334 -26.850 1.00 50.43 C ATOM 1535 CG1 ILE A 101 8.314 -5.235 -25.616 1.00 42.33 C ATOM 1536 CG2 ILE A 101 7.037 -4.713 -27.710 1.00 15.04 C ATOM 1537 CD1 ILE A 101 7.051 -5.233 -24.782 1.00 34.21 C ATOM 0 H ILE A 101 10.766 -4.999 -26.070 1.00 30.12 H new ATOM 0 HA ILE A 101 9.313 -4.881 -28.635 1.00 51.20 H new ATOM 0 HB ILE A 101 8.103 -3.304 -26.518 1.00 50.43 H new ATOM 0 HG12 ILE A 101 8.528 -6.255 -25.934 1.00 42.33 H new ATOM 0 HG13 ILE A 101 9.150 -4.913 -24.996 1.00 42.33 H new ATOM 0 HG21 ILE A 101 6.125 -4.641 -27.118 1.00 15.04 H new ATOM 0 HG22 ILE A 101 6.972 -4.035 -28.561 1.00 15.04 H new ATOM 0 HG23 ILE A 101 7.157 -5.735 -28.069 1.00 15.04 H new ATOM 0 HD11 ILE A 101 7.180 -5.893 -23.924 1.00 34.21 H new ATOM 0 HD12 ILE A 101 6.847 -4.221 -24.433 1.00 34.21 H new ATOM 0 HD13 ILE A 101 6.215 -5.584 -25.387 1.00 34.21 H new ATOM 1549 N LYS A 102 9.767 -2.433 -29.026 1.00 63.44 N ATOM 1550 CA LYS A 102 10.232 -1.090 -29.351 1.00 3.11 C ATOM 1551 C LYS A 102 9.054 -0.154 -29.604 1.00 72.54 C ATOM 1552 O LYS A 102 8.581 -0.026 -30.734 1.00 73.34 O ATOM 1553 CB LYS A 102 11.142 -1.128 -30.581 1.00 2.22 C ATOM 1554 CG LYS A 102 12.463 -1.835 -30.339 1.00 53.24 C ATOM 1555 CD LYS A 102 13.413 -0.978 -29.519 1.00 11.55 C ATOM 1556 CE LYS A 102 14.796 -0.920 -30.148 1.00 64.21 C ATOM 1557 NZ LYS A 102 15.874 -0.967 -29.122 1.00 41.12 N ATOM 0 H LYS A 102 9.184 -2.863 -29.744 1.00 63.44 H new ATOM 0 HA LYS A 102 10.798 -0.711 -28.500 1.00 3.11 H new ATOM 0 HB2 LYS A 102 10.617 -1.627 -31.396 1.00 2.22 H new ATOM 0 HB3 LYS A 102 11.340 -0.107 -30.907 1.00 2.22 H new ATOM 0 HG2 LYS A 102 12.283 -2.777 -29.821 1.00 53.24 H new ATOM 0 HG3 LYS A 102 12.926 -2.080 -31.295 1.00 53.24 H new ATOM 0 HD2 LYS A 102 13.010 0.031 -29.430 1.00 11.55 H new ATOM 0 HD3 LYS A 102 13.488 -1.381 -28.509 1.00 11.55 H new ATOM 0 HE2 LYS A 102 14.916 -1.754 -30.839 1.00 64.21 H new ATOM 0 HE3 LYS A 102 14.891 -0.005 -30.733 1.00 64.21 H new ATOM 0 HZ1 LYS A 102 16.801 -0.925 -29.591 1.00 41.12 H new ATOM 0 HZ2 LYS A 102 15.775 -0.157 -28.477 1.00 41.12 H new ATOM 0 HZ3 LYS A 102 15.799 -1.852 -28.580 1.00 41.12 H new ATOM 1571 N VAL A 103 8.586 0.500 -28.546 1.00 1.44 N ATOM 1572 CA VAL A 103 7.465 1.427 -28.655 1.00 61.44 C ATOM 1573 C VAL A 103 7.927 2.869 -28.480 1.00 42.41 C ATOM 1574 O VAL A 103 8.963 3.131 -27.868 1.00 34.12 O ATOM 1575 CB VAL A 103 6.378 1.117 -27.610 1.00 44.40 C ATOM 1576 CG1 VAL A 103 5.615 -0.143 -27.990 1.00 24.35 C ATOM 1577 CG2 VAL A 103 6.992 0.980 -26.225 1.00 53.02 C ATOM 0 H VAL A 103 8.965 0.405 -27.604 1.00 1.44 H new ATOM 0 HA VAL A 103 7.045 1.302 -29.653 1.00 61.44 H new ATOM 0 HB VAL A 103 5.673 1.948 -27.589 1.00 44.40 H new ATOM 0 HG11 VAL A 103 4.851 -0.346 -27.240 1.00 24.35 H new ATOM 0 HG12 VAL A 103 5.141 -0.002 -28.961 1.00 24.35 H new ATOM 0 HG13 VAL A 103 6.305 -0.985 -28.042 1.00 24.35 H new ATOM 0 HG21 VAL A 103 6.208 0.761 -25.500 1.00 53.02 H new ATOM 0 HG22 VAL A 103 7.720 0.169 -26.228 1.00 53.02 H new ATOM 0 HG23 VAL A 103 7.488 1.912 -25.953 1.00 53.02 H new ATOM 1587 N SER A 104 7.149 3.803 -29.020 1.00 54.15 N ATOM 1588 CA SER A 104 7.480 5.220 -28.927 1.00 60.31 C ATOM 1589 C SER A 104 6.215 6.072 -28.909 1.00 10.13 C ATOM 1590 O SER A 104 5.249 5.786 -29.617 1.00 3.54 O ATOM 1591 CB SER A 104 8.372 5.636 -30.098 1.00 11.01 C ATOM 1592 OG SER A 104 9.193 4.561 -30.521 1.00 24.52 O ATOM 0 H SER A 104 6.286 3.604 -29.526 1.00 54.15 H new ATOM 0 HA SER A 104 8.020 5.381 -27.994 1.00 60.31 H new ATOM 0 HB2 SER A 104 7.753 5.973 -30.929 1.00 11.01 H new ATOM 0 HB3 SER A 104 8.996 6.480 -29.802 1.00 11.01 H new ATOM 0 HG SER A 104 9.752 4.852 -31.271 1.00 24.52 H new ATOM 1598 N LYS A 105 6.228 7.122 -28.094 1.00 34.02 N ATOM 1599 CA LYS A 105 5.084 8.020 -27.984 1.00 62.24 C ATOM 1600 C LYS A 105 5.531 9.427 -27.601 1.00 43.11 C ATOM 1601 O LYS A 105 6.374 9.620 -26.725 1.00 65.41 O ATOM 1602 CB LYS A 105 4.092 7.488 -26.946 1.00 52.32 C ATOM 1603 CG LYS A 105 2.783 7.005 -27.547 1.00 75.24 C ATOM 1604 CD LYS A 105 1.618 7.882 -27.123 1.00 23.24 C ATOM 1605 CE LYS A 105 0.283 7.237 -27.464 1.00 44.21 C ATOM 1606 NZ LYS A 105 -0.015 6.076 -26.580 1.00 44.53 N ATOM 0 H LYS A 105 7.019 7.372 -27.500 1.00 34.02 H new ATOM 0 HA LYS A 105 4.594 8.066 -28.957 1.00 62.24 H new ATOM 0 HB2 LYS A 105 4.556 6.667 -26.400 1.00 52.32 H new ATOM 0 HB3 LYS A 105 3.881 8.274 -26.221 1.00 52.32 H new ATOM 0 HG2 LYS A 105 2.860 7.002 -28.634 1.00 75.24 H new ATOM 0 HG3 LYS A 105 2.597 5.977 -27.237 1.00 75.24 H new ATOM 0 HD2 LYS A 105 1.671 8.066 -26.050 1.00 23.24 H new ATOM 0 HD3 LYS A 105 1.692 8.851 -27.617 1.00 23.24 H new ATOM 0 HE2 LYS A 105 -0.512 7.977 -27.371 1.00 44.21 H new ATOM 0 HE3 LYS A 105 0.293 6.909 -28.503 1.00 44.21 H new ATOM 0 HZ1 LYS A 105 -1.017 5.813 -26.678 1.00 44.53 H new ATOM 0 HZ2 LYS A 105 0.582 5.270 -26.853 1.00 44.53 H new ATOM 0 HZ3 LYS A 105 0.181 6.333 -25.591 1.00 44.53 H new ATOM 1620 N PRO A 106 4.953 10.435 -28.270 1.00 33.32 N ATOM 1621 CA PRO A 106 5.276 11.842 -28.016 1.00 32.25 C ATOM 1622 C PRO A 106 4.763 12.318 -26.662 1.00 2.44 C ATOM 1623 O PRO A 106 3.587 12.151 -26.338 1.00 4.12 O ATOM 1624 CB PRO A 106 4.559 12.580 -29.149 1.00 52.20 C ATOM 1625 CG PRO A 106 3.438 11.680 -29.540 1.00 54.14 C ATOM 1626 CD PRO A 106 3.940 10.279 -29.328 1.00 72.31 C ATOM 0 HA PRO A 106 6.352 12.016 -27.990 1.00 32.25 H new ATOM 0 HB2 PRO A 106 4.190 13.551 -28.818 1.00 52.20 H new ATOM 0 HB3 PRO A 106 5.230 12.764 -29.988 1.00 52.20 H new ATOM 0 HG2 PRO A 106 2.553 11.873 -28.934 1.00 54.14 H new ATOM 0 HG3 PRO A 106 3.154 11.840 -30.580 1.00 54.14 H new ATOM 0 HD2 PRO A 106 3.138 9.607 -29.021 1.00 72.31 H new ATOM 0 HD3 PRO A 106 4.371 9.865 -30.239 1.00 72.31 H new ATOM 1634 N CYS A 107 5.652 12.913 -25.873 1.00 31.15 N ATOM 1635 CA CYS A 107 5.288 13.414 -24.553 1.00 54.22 C ATOM 1636 C CYS A 107 6.062 14.688 -24.224 1.00 2.23 C ATOM 1637 O CYS A 107 7.213 14.853 -24.630 1.00 4.24 O ATOM 1638 CB CYS A 107 5.561 12.350 -23.489 1.00 43.05 C ATOM 1639 SG CYS A 107 7.330 12.034 -23.188 1.00 13.32 S ATOM 0 H CYS A 107 6.629 13.060 -26.125 1.00 31.15 H new ATOM 0 HA CYS A 107 4.223 13.647 -24.560 1.00 54.22 H new ATOM 0 HB2 CYS A 107 5.094 12.659 -22.554 1.00 43.05 H new ATOM 0 HB3 CYS A 107 5.083 11.418 -23.791 1.00 43.05 H new ATOM 1645 N THR A 108 5.420 15.589 -23.485 1.00 23.41 N ATOM 1646 CA THR A 108 6.046 16.848 -23.101 1.00 24.45 C ATOM 1647 C THR A 108 6.700 16.742 -21.729 1.00 64.43 C ATOM 1648 O THR A 108 6.235 16.018 -20.847 1.00 54.50 O ATOM 1649 CB THR A 108 5.023 18.000 -23.081 1.00 32.22 C ATOM 1650 OG1 THR A 108 3.694 17.473 -22.989 1.00 10.31 O ATOM 1651 CG2 THR A 108 5.148 18.857 -24.333 1.00 61.24 C ATOM 0 H THR A 108 4.467 15.469 -23.141 1.00 23.41 H new ATOM 0 HA THR A 108 6.810 17.062 -23.849 1.00 24.45 H new ATOM 0 HB THR A 108 5.228 18.624 -22.211 1.00 32.22 H new ATOM 0 HG1 THR A 108 3.050 18.211 -22.975 1.00 10.31 H new ATOM 0 HG21 THR A 108 4.416 19.664 -24.296 1.00 61.24 H new ATOM 0 HG22 THR A 108 6.151 19.280 -24.386 1.00 61.24 H new ATOM 0 HG23 THR A 108 4.966 18.242 -25.214 1.00 61.24 H new