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 79 THR OG1 : rot -110:sc= 0.629 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0.57 USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0.69 USER MOD Set 2.2: A 98 GLN : amide:sc= 1.13 X(o=1.8,f=1.4) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0312 X(o=-0.031,f=0) 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 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.026) USER MOD Single : A 45 GLN : amide:sc= -1.01 X(o=-1,f=-1.4!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0322) USER MOD Single : A 49 THR OG1 : rot -149:sc= -1.48 USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.512 (180deg=-1.68!) 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 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 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 44:sc= 0.0108 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0.456 K(o=0.46,f=-4.9!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0825 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -0.118 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 0.745 14.344 -54.299 1.00 35.33 N ATOM 269 CA CYS A 18 -0.709 14.272 -54.383 1.00 74.01 C ATOM 270 C CYS A 18 -1.351 14.732 -53.078 1.00 3.44 C ATOM 271 O CYS A 18 -0.664 15.161 -52.152 1.00 40.24 O ATOM 272 CB CYS A 18 -1.151 12.844 -54.707 1.00 62.02 C ATOM 273 SG CYS A 18 -1.829 12.638 -56.385 1.00 72.43 S ATOM 0 HA CYS A 18 -1.037 14.936 -55.183 1.00 74.01 H new ATOM 0 HB2 CYS A 18 -0.299 12.175 -54.586 1.00 62.02 H new ATOM 0 HB3 CYS A 18 -1.904 12.535 -53.982 1.00 62.02 H new ATOM 279 N SER A 19 -2.676 14.639 -53.013 1.00 45.31 N ATOM 280 CA SER A 19 -3.414 15.049 -51.823 1.00 13.20 C ATOM 281 C SER A 19 -4.594 14.117 -51.567 1.00 32.45 C ATOM 282 O SER A 19 -4.759 13.596 -50.465 1.00 73.32 O ATOM 283 CB SER A 19 -3.910 16.488 -51.976 1.00 21.15 C ATOM 284 OG SER A 19 -5.058 16.719 -51.178 1.00 64.15 O ATOM 0 H SER A 19 -3.260 14.284 -53.770 1.00 45.31 H new ATOM 0 HA SER A 19 -2.738 14.993 -50.970 1.00 13.20 H new ATOM 0 HB2 SER A 19 -3.119 17.181 -51.690 1.00 21.15 H new ATOM 0 HB3 SER A 19 -4.144 16.686 -53.022 1.00 21.15 H new ATOM 0 HG SER A 19 -5.355 17.646 -51.292 1.00 64.15 H new ATOM 290 N GLU A 20 -5.412 13.912 -52.595 1.00 1.34 N ATOM 291 CA GLU A 20 -6.577 13.043 -52.482 1.00 3.31 C ATOM 292 C GLU A 20 -6.341 11.719 -53.203 1.00 25.22 C ATOM 293 O GLU A 20 -6.985 11.425 -54.210 1.00 63.40 O ATOM 294 CB GLU A 20 -7.815 13.736 -53.057 1.00 71.44 C ATOM 295 CG GLU A 20 -9.124 13.195 -52.507 1.00 2.43 C ATOM 296 CD GLU A 20 -9.718 14.086 -51.432 1.00 12.44 C ATOM 297 OE1 GLU A 20 -8.961 14.530 -50.545 1.00 51.55 O ATOM 298 OE2 GLU A 20 -10.940 14.339 -51.481 1.00 52.45 O ATOM 0 H GLU A 20 -5.289 14.336 -53.515 1.00 1.34 H new ATOM 0 HA GLU A 20 -6.743 12.836 -51.425 1.00 3.31 H new ATOM 0 HB2 GLU A 20 -7.755 14.804 -52.845 1.00 71.44 H new ATOM 0 HB3 GLU A 20 -7.813 13.625 -54.141 1.00 71.44 H new ATOM 0 HG2 GLU A 20 -9.840 13.089 -53.322 1.00 2.43 H new ATOM 0 HG3 GLU A 20 -8.957 12.199 -52.097 1.00 2.43 H new ATOM 305 N TRP A 21 -5.414 10.925 -52.679 1.00 33.01 N ATOM 306 CA TRP A 21 -5.092 9.632 -53.273 1.00 14.20 C ATOM 307 C TRP A 21 -6.351 8.802 -53.485 1.00 24.13 C ATOM 308 O TRP A 21 -7.036 8.441 -52.528 1.00 50.42 O ATOM 309 CB TRP A 21 -4.108 8.871 -52.383 1.00 74.01 C ATOM 310 CG TRP A 21 -2.673 9.088 -52.763 1.00 62.31 C ATOM 311 CD1 TRP A 21 -1.992 10.271 -52.752 1.00 4.25 C ATOM 312 CD2 TRP A 21 -1.746 8.092 -53.210 1.00 2.35 C ATOM 313 NE1 TRP A 21 -0.698 10.073 -53.167 1.00 62.40 N ATOM 314 CE2 TRP A 21 -0.521 8.744 -53.453 1.00 65.03 C ATOM 315 CE3 TRP A 21 -1.830 6.714 -53.427 1.00 10.44 C ATOM 316 CZ2 TRP A 21 0.608 8.064 -53.902 1.00 2.13 C ATOM 317 CZ3 TRP A 21 -0.710 6.040 -53.874 1.00 53.55 C ATOM 318 CH2 TRP A 21 0.496 6.716 -54.106 1.00 34.45 C ATOM 0 H TRP A 21 -4.873 11.153 -51.845 1.00 33.01 H new ATOM 0 HA TRP A 21 -4.630 9.811 -54.244 1.00 14.20 H new ATOM 0 HB2 TRP A 21 -4.253 9.179 -51.347 1.00 74.01 H new ATOM 0 HB3 TRP A 21 -4.333 7.806 -52.433 1.00 74.01 H new ATOM 0 HD1 TRP A 21 -2.410 11.223 -52.460 1.00 4.25 H new ATOM 0 HE1 TRP A 21 0.016 10.797 -53.249 1.00 62.40 H new ATOM 0 HE3 TRP A 21 -2.755 6.185 -53.248 1.00 10.44 H new ATOM 0 HZ2 TRP A 21 1.538 8.582 -54.083 1.00 2.13 H new ATOM 0 HZ3 TRP A 21 -0.764 4.975 -54.047 1.00 53.55 H new ATOM 0 HH2 TRP A 21 1.355 6.161 -54.453 1.00 34.45 H new ATOM 329 N GLN A 22 -6.651 8.500 -54.744 1.00 4.34 N ATOM 330 CA GLN A 22 -7.831 7.712 -55.080 1.00 60.53 C ATOM 331 C GLN A 22 -7.670 6.267 -54.618 1.00 55.24 C ATOM 332 O GLN A 22 -7.070 5.445 -55.312 1.00 15.53 O ATOM 333 CB GLN A 22 -8.086 7.752 -56.587 1.00 33.45 C ATOM 334 CG GLN A 22 -8.266 9.157 -57.137 1.00 13.43 C ATOM 335 CD GLN A 22 -9.657 9.707 -56.890 1.00 3.13 C ATOM 336 OE1 GLN A 22 -10.524 9.647 -57.762 1.00 4.43 O ATOM 337 NE2 GLN A 22 -9.878 10.245 -55.696 1.00 13.44 N ATOM 0 H GLN A 22 -6.094 8.789 -55.548 1.00 4.34 H new ATOM 0 HA GLN A 22 -8.686 8.147 -54.563 1.00 60.53 H new ATOM 0 HB2 GLN A 22 -7.252 7.274 -57.101 1.00 33.45 H new ATOM 0 HB3 GLN A 22 -8.977 7.166 -56.812 1.00 33.45 H new ATOM 0 HG2 GLN A 22 -7.531 9.819 -56.679 1.00 13.43 H new ATOM 0 HG3 GLN A 22 -8.067 9.152 -58.209 1.00 13.43 H new ATOM 0 HE21 GLN A 22 -9.130 10.274 -55.003 1.00 13.44 H new ATOM 0 HE22 GLN A 22 -10.796 10.630 -55.472 1.00 13.44 H new ATOM 346 N TYR A 23 -8.207 5.963 -53.442 1.00 4.53 N ATOM 347 CA TYR A 23 -8.121 4.618 -52.886 1.00 15.30 C ATOM 348 C TYR A 23 -9.199 3.714 -53.475 1.00 13.33 C ATOM 349 O TYR A 23 -10.377 4.069 -53.502 1.00 40.02 O ATOM 350 CB TYR A 23 -8.255 4.663 -51.364 1.00 41.24 C ATOM 351 CG TYR A 23 -7.269 5.596 -50.696 1.00 75.44 C ATOM 352 CD1 TYR A 23 -5.914 5.542 -51.006 1.00 3.41 C ATOM 353 CD2 TYR A 23 -7.689 6.527 -49.756 1.00 53.03 C ATOM 354 CE1 TYR A 23 -5.009 6.391 -50.399 1.00 41.30 C ATOM 355 CE2 TYR A 23 -6.791 7.381 -49.144 1.00 13.11 C ATOM 356 CZ TYR A 23 -5.452 7.310 -49.469 1.00 25.43 C ATOM 357 OH TYR A 23 -4.554 8.156 -48.862 1.00 44.45 O ATOM 0 H TYR A 23 -8.707 6.630 -52.855 1.00 4.53 H new ATOM 0 HA TYR A 23 -7.146 4.207 -53.147 1.00 15.30 H new ATOM 0 HB2 TYR A 23 -9.268 4.973 -51.106 1.00 41.24 H new ATOM 0 HB3 TYR A 23 -8.118 3.658 -50.966 1.00 41.24 H new ATOM 0 HD1 TYR A 23 -5.564 4.824 -51.733 1.00 3.41 H new ATOM 0 HD2 TYR A 23 -8.736 6.585 -49.498 1.00 53.03 H new ATOM 0 HE1 TYR A 23 -3.960 6.336 -50.651 1.00 41.30 H new ATOM 0 HE2 TYR A 23 -7.136 8.100 -48.415 1.00 13.11 H new ATOM 0 HH TYR A 23 -5.028 8.741 -48.235 1.00 44.45 H new ATOM 367 N GLY A 24 -8.787 2.541 -53.948 1.00 52.31 N ATOM 368 CA GLY A 24 -9.728 1.603 -54.531 1.00 55.43 C ATOM 369 C GLY A 24 -10.544 0.876 -53.482 1.00 22.43 C ATOM 370 O GLY A 24 -10.333 1.056 -52.283 1.00 73.43 O ATOM 0 H GLY A 24 -7.818 2.224 -53.938 1.00 52.31 H new ATOM 0 HA2 GLY A 24 -10.399 2.137 -55.204 1.00 55.43 H new ATOM 0 HA3 GLY A 24 -9.185 0.875 -55.134 1.00 55.43 H new ATOM 374 N LYS A 25 -11.484 0.051 -53.933 1.00 21.13 N ATOM 375 CA LYS A 25 -12.336 -0.708 -53.026 1.00 4.21 C ATOM 376 C LYS A 25 -11.505 -1.622 -52.133 1.00 73.25 C ATOM 377 O LYS A 25 -10.377 -1.983 -52.474 1.00 1.25 O ATOM 378 CB LYS A 25 -13.349 -1.537 -53.819 1.00 25.55 C ATOM 379 CG LYS A 25 -12.761 -2.800 -54.424 1.00 70.53 C ATOM 380 CD LYS A 25 -11.909 -2.491 -55.644 1.00 64.32 C ATOM 381 CE LYS A 25 -10.426 -2.548 -55.316 1.00 34.32 C ATOM 382 NZ LYS A 25 -9.631 -3.119 -56.439 1.00 24.15 N ATOM 0 H LYS A 25 -11.674 -0.109 -54.922 1.00 21.13 H new ATOM 0 HA LYS A 25 -12.870 0.001 -52.393 1.00 4.21 H new ATOM 0 HB2 LYS A 25 -14.176 -1.809 -53.163 1.00 25.55 H new ATOM 0 HB3 LYS A 25 -13.764 -0.921 -54.617 1.00 25.55 H new ATOM 0 HG2 LYS A 25 -12.156 -3.314 -53.677 1.00 70.53 H new ATOM 0 HG3 LYS A 25 -13.566 -3.479 -54.704 1.00 70.53 H new ATOM 0 HD2 LYS A 25 -12.135 -3.204 -56.437 1.00 64.32 H new ATOM 0 HD3 LYS A 25 -12.161 -1.501 -56.024 1.00 64.32 H new ATOM 0 HE2 LYS A 25 -10.065 -1.545 -55.089 1.00 34.32 H new ATOM 0 HE3 LYS A 25 -10.275 -3.151 -54.421 1.00 34.32 H new ATOM 0 HZ1 LYS A 25 -8.625 -3.141 -56.176 1.00 24.15 H new ATOM 0 HZ2 LYS A 25 -9.958 -4.086 -56.639 1.00 24.15 H new ATOM 0 HZ3 LYS A 25 -9.755 -2.529 -57.287 1.00 24.15 H new ATOM 396 N CYS A 26 -12.066 -1.994 -50.987 1.00 53.31 N ATOM 397 CA CYS A 26 -11.377 -2.867 -50.045 1.00 53.53 C ATOM 398 C CYS A 26 -11.936 -4.284 -50.107 1.00 24.51 C ATOM 399 O CYS A 26 -13.066 -4.537 -49.687 1.00 12.10 O ATOM 400 CB CYS A 26 -11.504 -2.318 -48.623 1.00 44.10 C ATOM 401 SG CYS A 26 -10.208 -1.122 -48.167 1.00 71.35 S ATOM 0 H CYS A 26 -12.997 -1.704 -50.688 1.00 53.31 H new ATOM 0 HA CYS A 26 -10.323 -2.899 -50.322 1.00 53.53 H new ATOM 0 HB2 CYS A 26 -12.478 -1.840 -48.515 1.00 44.10 H new ATOM 0 HB3 CYS A 26 -11.478 -3.151 -47.920 1.00 44.10 H new ATOM 407 N VAL A 27 -11.137 -5.207 -50.634 1.00 24.33 N ATOM 408 CA VAL A 27 -11.551 -6.600 -50.751 1.00 20.10 C ATOM 409 C VAL A 27 -10.721 -7.498 -49.840 1.00 21.30 C ATOM 410 O VAL A 27 -9.491 -7.459 -49.843 1.00 50.42 O ATOM 411 CB VAL A 27 -11.428 -7.104 -52.201 1.00 55.22 C ATOM 412 CG1 VAL A 27 -10.096 -6.680 -52.801 1.00 33.34 C ATOM 413 CG2 VAL A 27 -11.591 -8.615 -52.256 1.00 35.04 C ATOM 0 H VAL A 27 -10.199 -5.015 -50.987 1.00 24.33 H new ATOM 0 HA VAL A 27 -12.597 -6.645 -50.447 1.00 20.10 H new ATOM 0 HB VAL A 27 -12.226 -6.655 -52.793 1.00 55.22 H new ATOM 0 HG11 VAL A 27 -10.026 -7.045 -53.826 1.00 33.34 H new ATOM 0 HG12 VAL A 27 -10.025 -5.592 -52.797 1.00 33.34 H new ATOM 0 HG13 VAL A 27 -9.281 -7.099 -52.210 1.00 33.34 H new ATOM 0 HG21 VAL A 27 -11.501 -8.953 -53.288 1.00 35.04 H new ATOM 0 HG22 VAL A 27 -10.817 -9.087 -51.651 1.00 35.04 H new ATOM 0 HG23 VAL A 27 -12.572 -8.889 -51.868 1.00 35.04 H new ATOM 423 N PRO A 28 -11.408 -8.330 -49.042 1.00 4.51 N ATOM 424 CA PRO A 28 -10.754 -9.255 -48.112 1.00 13.35 C ATOM 425 C PRO A 28 -10.032 -10.387 -48.834 1.00 42.34 C ATOM 426 O PRO A 28 -10.663 -11.283 -49.393 1.00 4.40 O ATOM 427 CB PRO A 28 -11.917 -9.804 -47.282 1.00 34.34 C ATOM 428 CG PRO A 28 -13.110 -9.667 -48.165 1.00 62.35 C ATOM 429 CD PRO A 28 -12.876 -8.430 -48.987 1.00 12.10 C ATOM 0 HA PRO A 28 -9.985 -8.761 -47.518 1.00 13.35 H new ATOM 0 HB2 PRO A 28 -11.748 -10.844 -47.003 1.00 34.34 H new ATOM 0 HB3 PRO A 28 -12.043 -9.242 -46.356 1.00 34.34 H new ATOM 0 HG2 PRO A 28 -13.226 -10.543 -48.803 1.00 62.35 H new ATOM 0 HG3 PRO A 28 -14.023 -9.578 -47.576 1.00 62.35 H new ATOM 0 HD2 PRO A 28 -13.310 -8.521 -49.983 1.00 12.10 H new ATOM 0 HD3 PRO A 28 -13.322 -7.550 -48.524 1.00 12.10 H new ATOM 437 N ASN A 29 -8.703 -10.342 -48.815 1.00 4.43 N ATOM 438 CA ASN A 29 -7.895 -11.365 -49.468 1.00 63.02 C ATOM 439 C ASN A 29 -8.225 -12.750 -48.921 1.00 41.21 C ATOM 440 O ASN A 29 -7.829 -13.100 -47.809 1.00 15.31 O ATOM 441 CB ASN A 29 -6.406 -11.069 -49.274 1.00 12.14 C ATOM 442 CG ASN A 29 -5.523 -12.200 -49.762 1.00 33.51 C ATOM 443 OD1 ASN A 29 -5.337 -12.384 -50.965 1.00 3.33 O ATOM 444 ND2 ASN A 29 -4.974 -12.968 -48.827 1.00 61.11 N ATOM 0 H ASN A 29 -8.164 -9.609 -48.355 1.00 4.43 H new ATOM 0 HA ASN A 29 -8.126 -11.350 -50.533 1.00 63.02 H new ATOM 0 HB2 ASN A 29 -6.148 -10.154 -49.807 1.00 12.14 H new ATOM 0 HB3 ASN A 29 -6.209 -10.888 -48.217 1.00 12.14 H new ATOM 0 HD21 ASN A 29 -4.371 -13.746 -49.095 1.00 61.11 H new ATOM 0 HD22 ASN A 29 -5.155 -12.779 -47.841 1.00 61.11 H new ATOM 451 N SER A 30 -8.952 -13.534 -49.710 1.00 71.42 N ATOM 452 CA SER A 30 -9.338 -14.881 -49.303 1.00 11.23 C ATOM 453 C SER A 30 -10.099 -14.851 -47.981 1.00 32.35 C ATOM 454 O SER A 30 -10.454 -13.786 -47.480 1.00 24.34 O ATOM 455 CB SER A 30 -8.101 -15.772 -49.172 1.00 15.14 C ATOM 456 OG SER A 30 -8.376 -17.093 -49.606 1.00 14.54 O ATOM 0 H SER A 30 -9.286 -13.261 -50.634 1.00 71.42 H new ATOM 0 HA SER A 30 -9.993 -15.292 -50.071 1.00 11.23 H new ATOM 0 HB2 SER A 30 -7.284 -15.355 -49.761 1.00 15.14 H new ATOM 0 HB3 SER A 30 -7.769 -15.789 -48.134 1.00 15.14 H new ATOM 0 HG SER A 30 -7.570 -17.642 -49.514 1.00 14.54 H new ATOM 462 N GLY A 31 -10.347 -16.032 -47.422 1.00 75.31 N ATOM 463 CA GLY A 31 -11.064 -16.121 -46.164 1.00 44.21 C ATOM 464 C GLY A 31 -12.524 -15.734 -46.300 1.00 30.25 C ATOM 465 O GLY A 31 -13.320 -16.479 -46.871 1.00 75.31 O ATOM 0 H GLY A 31 -10.064 -16.928 -47.818 1.00 75.31 H new ATOM 0 HA2 GLY A 31 -10.995 -17.139 -45.781 1.00 44.21 H new ATOM 0 HA3 GLY A 31 -10.586 -15.472 -45.430 1.00 44.21 H new ATOM 469 N ASP A 32 -12.876 -14.567 -45.774 1.00 53.24 N ATOM 470 CA ASP A 32 -14.250 -14.082 -45.838 1.00 31.21 C ATOM 471 C ASP A 32 -14.298 -12.563 -45.694 1.00 62.44 C ATOM 472 O ASP A 32 -14.721 -11.855 -46.607 1.00 24.34 O ATOM 473 CB ASP A 32 -15.097 -14.738 -44.747 1.00 52.41 C ATOM 474 CG ASP A 32 -16.578 -14.710 -45.069 1.00 70.04 C ATOM 475 OD1 ASP A 32 -16.929 -14.837 -46.260 1.00 70.50 O ATOM 476 OD2 ASP A 32 -17.387 -14.559 -44.128 1.00 33.42 O ATOM 0 H ASP A 32 -12.229 -13.938 -45.298 1.00 53.24 H new ATOM 0 HA ASP A 32 -14.658 -14.349 -46.813 1.00 31.21 H new ATOM 0 HB2 ASP A 32 -14.776 -15.771 -44.614 1.00 52.41 H new ATOM 0 HB3 ASP A 32 -14.924 -14.227 -43.800 1.00 52.41 H new ATOM 481 N CYS A 33 -13.862 -12.071 -44.539 1.00 32.02 N ATOM 482 CA CYS A 33 -13.856 -10.638 -44.273 1.00 44.52 C ATOM 483 C CYS A 33 -12.796 -10.282 -43.233 1.00 24.23 C ATOM 484 O CYS A 33 -12.469 -11.088 -42.364 1.00 11.02 O ATOM 485 CB CYS A 33 -15.234 -10.182 -43.787 1.00 30.44 C ATOM 486 SG CYS A 33 -15.947 -11.233 -42.481 1.00 4.21 S ATOM 0 H CYS A 33 -13.508 -12.644 -43.773 1.00 32.02 H new ATOM 0 HA CYS A 33 -13.616 -10.123 -45.203 1.00 44.52 H new ATOM 0 HB2 CYS A 33 -15.156 -9.161 -43.415 1.00 30.44 H new ATOM 0 HB3 CYS A 33 -15.918 -10.161 -44.635 1.00 30.44 H new ATOM 492 N GLY A 34 -12.264 -9.068 -43.332 1.00 51.33 N ATOM 493 CA GLY A 34 -11.247 -8.625 -42.394 1.00 34.13 C ATOM 494 C GLY A 34 -10.211 -7.729 -43.044 1.00 65.14 C ATOM 495 O GLY A 34 -10.515 -6.607 -43.444 1.00 42.52 O ATOM 0 H GLY A 34 -12.518 -8.383 -44.044 1.00 51.33 H new ATOM 0 HA2 GLY A 34 -11.723 -8.089 -41.573 1.00 34.13 H new ATOM 0 HA3 GLY A 34 -10.752 -9.495 -41.962 1.00 34.13 H new ATOM 499 N ASN A 35 -8.983 -8.226 -43.148 1.00 30.31 N ATOM 500 CA ASN A 35 -7.897 -7.461 -43.751 1.00 61.44 C ATOM 501 C ASN A 35 -8.046 -7.409 -45.268 1.00 32.23 C ATOM 502 O ASN A 35 -7.607 -8.314 -45.977 1.00 74.14 O ATOM 503 CB ASN A 35 -6.546 -8.075 -43.380 1.00 1.12 C ATOM 504 CG ASN A 35 -5.643 -7.092 -42.659 1.00 31.25 C ATOM 505 OD1 ASN A 35 -6.115 -6.174 -41.989 1.00 33.34 O ATOM 506 ND2 ASN A 35 -4.336 -7.281 -42.796 1.00 73.42 N ATOM 0 H ASN A 35 -8.715 -9.155 -42.823 1.00 30.31 H new ATOM 0 HA ASN A 35 -7.944 -6.443 -43.364 1.00 61.44 H new ATOM 0 HB2 ASN A 35 -6.708 -8.947 -42.747 1.00 1.12 H new ATOM 0 HB3 ASN A 35 -6.049 -8.425 -44.284 1.00 1.12 H new ATOM 0 HD21 ASN A 35 -3.679 -6.651 -42.336 1.00 73.42 H new ATOM 0 HD22 ASN A 35 -3.989 -8.056 -43.362 1.00 73.42 H new ATOM 513 N GLY A 36 -8.669 -6.343 -45.761 1.00 45.44 N ATOM 514 CA GLY A 36 -8.864 -6.192 -47.191 1.00 23.31 C ATOM 515 C GLY A 36 -7.763 -5.380 -47.844 1.00 43.31 C ATOM 516 O GLY A 36 -7.059 -4.626 -47.173 1.00 34.03 O ATOM 0 H GLY A 36 -9.042 -5.581 -45.195 1.00 45.44 H new ATOM 0 HA2 GLY A 36 -8.908 -7.178 -47.655 1.00 23.31 H new ATOM 0 HA3 GLY A 36 -9.824 -5.710 -47.375 1.00 23.31 H new ATOM 520 N ILE A 37 -7.615 -5.535 -49.155 1.00 71.10 N ATOM 521 CA ILE A 37 -6.592 -4.810 -49.898 1.00 52.21 C ATOM 522 C ILE A 37 -7.218 -3.810 -50.864 1.00 54.43 C ATOM 523 O ILE A 37 -8.236 -4.094 -51.495 1.00 61.15 O ATOM 524 CB ILE A 37 -5.684 -5.770 -50.689 1.00 32.40 C ATOM 525 CG1 ILE A 37 -5.047 -6.795 -49.749 1.00 75.25 C ATOM 526 CG2 ILE A 37 -4.612 -4.991 -51.436 1.00 22.35 C ATOM 527 CD1 ILE A 37 -4.202 -6.173 -48.660 1.00 73.23 C ATOM 0 H ILE A 37 -8.190 -6.156 -49.724 1.00 71.10 H new ATOM 0 HA ILE A 37 -5.990 -4.275 -49.164 1.00 52.21 H new ATOM 0 HB ILE A 37 -6.293 -6.303 -51.419 1.00 32.40 H new ATOM 0 HG12 ILE A 37 -5.834 -7.393 -49.290 1.00 75.25 H new ATOM 0 HG13 ILE A 37 -4.428 -7.476 -50.333 1.00 75.25 H new ATOM 0 HG21 ILE A 37 -3.978 -5.684 -51.990 1.00 22.35 H new ATOM 0 HG22 ILE A 37 -5.084 -4.296 -52.131 1.00 22.35 H new ATOM 0 HG23 ILE A 37 -4.004 -4.434 -50.723 1.00 22.35 H new ATOM 0 HD11 ILE A 37 -3.782 -6.959 -48.032 1.00 73.23 H new ATOM 0 HD12 ILE A 37 -3.393 -5.598 -49.111 1.00 73.23 H new ATOM 0 HD13 ILE A 37 -4.821 -5.513 -48.051 1.00 73.23 H new ATOM 539 N ARG A 38 -6.602 -2.637 -50.974 1.00 32.54 N ATOM 540 CA ARG A 38 -7.099 -1.594 -51.863 1.00 14.12 C ATOM 541 C ARG A 38 -5.974 -1.043 -52.737 1.00 42.30 C ATOM 542 O ARG A 38 -4.846 -0.874 -52.277 1.00 34.54 O ATOM 543 CB ARG A 38 -7.731 -0.462 -51.053 1.00 44.14 C ATOM 544 CG ARG A 38 -6.718 0.395 -50.310 1.00 12.05 C ATOM 545 CD ARG A 38 -7.386 1.575 -49.621 1.00 13.22 C ATOM 546 NE ARG A 38 -7.337 1.458 -48.166 1.00 1.23 N ATOM 547 CZ ARG A 38 -7.482 2.489 -47.341 1.00 63.40 C ATOM 548 NH1 ARG A 38 -7.684 3.706 -47.825 1.00 1.21 N ATOM 549 NH2 ARG A 38 -7.425 2.302 -46.029 1.00 44.32 N ATOM 0 H ARG A 38 -5.758 -2.386 -50.459 1.00 32.54 H new ATOM 0 HA ARG A 38 -7.857 -2.034 -52.511 1.00 14.12 H new ATOM 0 HB2 ARG A 38 -8.310 0.174 -51.723 1.00 44.14 H new ATOM 0 HB3 ARG A 38 -8.431 -0.888 -50.334 1.00 44.14 H new ATOM 0 HG2 ARG A 38 -6.198 -0.213 -49.570 1.00 12.05 H new ATOM 0 HG3 ARG A 38 -5.965 0.759 -51.009 1.00 12.05 H new ATOM 0 HD2 ARG A 38 -6.895 2.499 -49.927 1.00 13.22 H new ATOM 0 HD3 ARG A 38 -8.425 1.643 -49.945 1.00 13.22 H new ATOM 0 HE ARG A 38 -7.183 0.534 -47.761 1.00 1.23 H new ATOM 0 HH11 ARG A 38 -7.729 3.853 -48.833 1.00 1.21 H new ATOM 0 HH12 ARG A 38 -7.795 4.496 -47.189 1.00 1.21 H new ATOM 0 HH21 ARG A 38 -7.270 1.366 -45.653 1.00 44.32 H new ATOM 0 HH22 ARG A 38 -7.536 3.094 -45.396 1.00 44.32 H new ATOM 563 N GLU A 39 -6.293 -0.765 -53.996 1.00 35.34 N ATOM 564 CA GLU A 39 -5.310 -0.235 -54.933 1.00 13.43 C ATOM 565 C GLU A 39 -5.556 1.248 -55.199 1.00 34.02 C ATOM 566 O GLU A 39 -6.685 1.664 -55.455 1.00 61.42 O ATOM 567 CB GLU A 39 -5.353 -1.014 -56.250 1.00 63.43 C ATOM 568 CG GLU A 39 -4.476 -2.255 -56.251 1.00 71.41 C ATOM 569 CD GLU A 39 -5.245 -3.513 -56.604 1.00 62.34 C ATOM 570 OE1 GLU A 39 -6.154 -3.888 -55.832 1.00 51.22 O ATOM 571 OE2 GLU A 39 -4.940 -4.123 -57.649 1.00 70.04 O ATOM 0 H GLU A 39 -7.224 -0.898 -54.391 1.00 35.34 H new ATOM 0 HA GLU A 39 -4.323 -0.348 -54.485 1.00 13.43 H new ATOM 0 HB2 GLU A 39 -6.383 -1.307 -56.456 1.00 63.43 H new ATOM 0 HB3 GLU A 39 -5.040 -0.357 -57.062 1.00 63.43 H new ATOM 0 HG2 GLU A 39 -3.662 -2.119 -56.963 1.00 71.41 H new ATOM 0 HG3 GLU A 39 -4.022 -2.375 -55.267 1.00 71.41 H new ATOM 578 N ALA A 40 -4.490 2.039 -55.137 1.00 22.12 N ATOM 579 CA ALA A 40 -4.589 3.475 -55.373 1.00 63.52 C ATOM 580 C ALA A 40 -3.461 3.962 -56.273 1.00 14.24 C ATOM 581 O ALA A 40 -2.332 3.476 -56.191 1.00 14.20 O ATOM 582 CB ALA A 40 -4.575 4.228 -54.051 1.00 60.01 C ATOM 0 H ALA A 40 -3.548 1.710 -54.925 1.00 22.12 H new ATOM 0 HA ALA A 40 -5.533 3.671 -55.881 1.00 63.52 H new ATOM 0 HB1 ALA A 40 -4.649 5.299 -54.241 1.00 60.01 H new ATOM 0 HB2 ALA A 40 -5.420 3.908 -53.441 1.00 60.01 H new ATOM 0 HB3 ALA A 40 -3.646 4.017 -53.522 1.00 60.01 H new ATOM 588 N THR A 41 -3.772 4.925 -57.135 1.00 35.14 N ATOM 589 CA THR A 41 -2.784 5.478 -58.054 1.00 72.23 C ATOM 590 C THR A 41 -2.790 7.001 -58.017 1.00 5.55 C ATOM 591 O THR A 41 -3.814 7.635 -58.275 1.00 62.05 O ATOM 592 CB THR A 41 -3.037 5.009 -59.499 1.00 14.34 C ATOM 593 OG1 THR A 41 -4.195 4.169 -59.547 1.00 22.20 O ATOM 594 CG2 THR A 41 -1.834 4.254 -60.042 1.00 33.31 C ATOM 0 H THR A 41 -4.701 5.339 -57.216 1.00 35.14 H new ATOM 0 HA THR A 41 -1.810 5.114 -57.727 1.00 72.23 H new ATOM 0 HB THR A 41 -3.203 5.890 -60.119 1.00 14.34 H new ATOM 0 HG1 THR A 41 -4.349 3.877 -60.470 1.00 22.20 H new ATOM 0 HG21 THR A 41 -2.037 3.933 -61.064 1.00 33.31 H new ATOM 0 HG22 THR A 41 -0.961 4.906 -60.033 1.00 33.31 H new ATOM 0 HG23 THR A 41 -1.641 3.381 -59.419 1.00 33.31 H new ATOM 602 N CYS A 42 -1.641 7.585 -57.697 1.00 51.15 N ATOM 603 CA CYS A 42 -1.513 9.036 -57.626 1.00 14.12 C ATOM 604 C CYS A 42 -0.088 9.473 -57.951 1.00 15.51 C ATOM 605 O CYS A 42 0.872 8.756 -57.670 1.00 32.23 O ATOM 606 CB CYS A 42 -1.906 9.536 -56.235 1.00 42.24 C ATOM 607 SG CYS A 42 -3.069 10.939 -56.251 1.00 51.12 S ATOM 0 H CYS A 42 -0.784 7.076 -57.482 1.00 51.15 H new ATOM 0 HA CYS A 42 -2.186 9.471 -58.365 1.00 14.12 H new ATOM 0 HB2 CYS A 42 -2.354 8.713 -55.678 1.00 42.24 H new ATOM 0 HB3 CYS A 42 -1.004 9.831 -55.698 1.00 42.24 H new ATOM 613 N ASN A 43 0.042 10.655 -58.545 1.00 14.14 N ATOM 614 CA ASN A 43 1.350 11.188 -58.910 1.00 45.21 C ATOM 615 C ASN A 43 1.943 10.417 -60.085 1.00 2.41 C ATOM 616 O ASN A 43 2.029 10.934 -61.199 1.00 52.12 O ATOM 617 CB ASN A 43 2.300 11.126 -57.713 1.00 61.33 C ATOM 618 CG ASN A 43 2.807 12.496 -57.306 1.00 42.44 C ATOM 619 OD1 ASN A 43 3.980 12.818 -57.496 1.00 0.15 O ATOM 620 ND2 ASN A 43 1.924 13.310 -56.740 1.00 42.31 N ATOM 0 H ASN A 43 -0.742 11.262 -58.784 1.00 14.14 H new ATOM 0 HA ASN A 43 1.221 12.228 -59.210 1.00 45.21 H new ATOM 0 HB2 ASN A 43 1.787 10.666 -56.869 1.00 61.33 H new ATOM 0 HB3 ASN A 43 3.148 10.486 -57.958 1.00 61.33 H new ATOM 0 HD21 ASN A 43 2.208 14.244 -56.443 1.00 42.31 H new ATOM 0 HD22 ASN A 43 0.962 13.002 -56.602 1.00 42.31 H new ATOM 627 N GLU A 44 2.351 9.178 -59.828 1.00 51.01 N ATOM 628 CA GLU A 44 2.937 8.337 -60.865 1.00 2.35 C ATOM 629 C GLU A 44 3.406 7.006 -60.285 1.00 24.23 C ATOM 630 O GLU A 44 4.418 6.454 -60.714 1.00 21.30 O ATOM 631 CB GLU A 44 4.110 9.056 -61.534 1.00 31.52 C ATOM 632 CG GLU A 44 4.020 9.087 -63.051 1.00 43.32 C ATOM 633 CD GLU A 44 4.620 7.854 -63.696 1.00 35.21 C ATOM 634 OE1 GLU A 44 5.787 7.532 -63.390 1.00 50.45 O ATOM 635 OE2 GLU A 44 3.924 7.211 -64.508 1.00 23.32 O ATOM 0 H GLU A 44 2.287 8.735 -58.912 1.00 51.01 H new ATOM 0 HA GLU A 44 2.169 8.138 -61.612 1.00 2.35 H new ATOM 0 HB2 GLU A 44 4.159 10.079 -61.160 1.00 31.52 H new ATOM 0 HB3 GLU A 44 5.039 8.566 -61.244 1.00 31.52 H new ATOM 0 HG2 GLU A 44 2.975 9.175 -63.347 1.00 43.32 H new ATOM 0 HG3 GLU A 44 4.533 9.974 -63.424 1.00 43.32 H new ATOM 642 N GLN A 45 2.661 6.497 -59.308 1.00 14.41 N ATOM 643 CA GLN A 45 3.002 5.233 -58.668 1.00 22.12 C ATOM 644 C GLN A 45 1.746 4.504 -58.199 1.00 12.43 C ATOM 645 O GLN A 45 0.683 5.109 -58.053 1.00 72.45 O ATOM 646 CB GLN A 45 3.940 5.471 -57.483 1.00 11.55 C ATOM 647 CG GLN A 45 3.444 6.539 -56.521 1.00 21.20 C ATOM 648 CD GLN A 45 4.367 7.739 -56.455 1.00 12.22 C ATOM 649 OE1 GLN A 45 5.577 7.619 -56.652 1.00 23.13 O ATOM 650 NE2 GLN A 45 3.801 8.908 -56.179 1.00 45.31 N ATOM 0 H GLN A 45 1.818 6.941 -58.943 1.00 14.41 H new ATOM 0 HA GLN A 45 3.510 4.609 -59.403 1.00 22.12 H new ATOM 0 HB2 GLN A 45 4.070 4.535 -56.939 1.00 11.55 H new ATOM 0 HB3 GLN A 45 4.921 5.760 -57.859 1.00 11.55 H new ATOM 0 HG2 GLN A 45 2.451 6.866 -56.828 1.00 21.20 H new ATOM 0 HG3 GLN A 45 3.344 6.107 -55.525 1.00 21.20 H new ATOM 0 HE21 GLN A 45 2.795 8.963 -56.023 1.00 45.31 H new ATOM 0 HE22 GLN A 45 4.373 9.751 -56.123 1.00 45.31 H new ATOM 659 N THR A 46 1.876 3.203 -57.965 1.00 70.11 N ATOM 660 CA THR A 46 0.752 2.392 -57.514 1.00 24.21 C ATOM 661 C THR A 46 1.164 1.464 -56.377 1.00 71.23 C ATOM 662 O THR A 46 2.188 0.783 -56.457 1.00 43.01 O ATOM 663 CB THR A 46 0.170 1.548 -58.665 1.00 43.14 C ATOM 664 OG1 THR A 46 0.266 2.269 -59.898 1.00 41.40 O ATOM 665 CG2 THR A 46 -1.283 1.191 -58.392 1.00 23.14 C ATOM 0 H THR A 46 2.749 2.688 -58.080 1.00 70.11 H new ATOM 0 HA THR A 46 -0.012 3.082 -57.157 1.00 24.21 H new ATOM 0 HB THR A 46 0.747 0.626 -58.738 1.00 43.14 H new ATOM 0 HG1 THR A 46 -0.104 1.725 -60.625 1.00 41.40 H new ATOM 0 HG21 THR A 46 -1.673 0.595 -59.218 1.00 23.14 H new ATOM 0 HG22 THR A 46 -1.349 0.617 -57.468 1.00 23.14 H new ATOM 0 HG23 THR A 46 -1.870 2.104 -58.295 1.00 23.14 H new ATOM 673 N LYS A 47 0.362 1.440 -55.318 1.00 21.24 N ATOM 674 CA LYS A 47 0.643 0.593 -54.164 1.00 4.14 C ATOM 675 C LYS A 47 -0.651 0.064 -53.551 1.00 35.05 C ATOM 676 O LYS A 47 -1.729 0.611 -53.782 1.00 23.05 O ATOM 677 CB LYS A 47 1.435 1.375 -53.114 1.00 64.23 C ATOM 678 CG LYS A 47 2.496 2.286 -53.705 1.00 62.43 C ATOM 679 CD LYS A 47 3.210 3.083 -52.627 1.00 42.44 C ATOM 680 CE LYS A 47 2.243 3.969 -51.857 1.00 42.42 C ATOM 681 NZ LYS A 47 2.814 5.321 -51.598 1.00 71.51 N ATOM 0 H LYS A 47 -0.488 1.997 -55.235 1.00 21.24 H new ATOM 0 HA LYS A 47 1.238 -0.255 -54.502 1.00 4.14 H new ATOM 0 HB2 LYS A 47 0.743 1.974 -52.521 1.00 64.23 H new ATOM 0 HB3 LYS A 47 1.912 0.671 -52.432 1.00 64.23 H new ATOM 0 HG2 LYS A 47 3.221 1.690 -54.259 1.00 62.43 H new ATOM 0 HG3 LYS A 47 2.034 2.969 -54.418 1.00 62.43 H new ATOM 0 HD2 LYS A 47 3.708 2.401 -51.938 1.00 42.44 H new ATOM 0 HD3 LYS A 47 3.986 3.699 -53.082 1.00 42.44 H new ATOM 0 HE2 LYS A 47 1.315 4.069 -52.420 1.00 42.42 H new ATOM 0 HE3 LYS A 47 1.991 3.494 -50.909 1.00 42.42 H new ATOM 0 HZ1 LYS A 47 2.124 5.894 -51.071 1.00 71.51 H new ATOM 0 HZ2 LYS A 47 3.686 5.228 -51.039 1.00 71.51 H new ATOM 0 HZ3 LYS A 47 3.031 5.785 -52.503 1.00 71.51 H new ATOM 695 N LYS A 48 -0.535 -1.003 -52.769 1.00 71.53 N ATOM 696 CA LYS A 48 -1.693 -1.607 -52.120 1.00 11.32 C ATOM 697 C LYS A 48 -1.642 -1.396 -50.611 1.00 44.43 C ATOM 698 O LYS A 48 -0.639 -1.698 -49.964 1.00 54.32 O ATOM 699 CB LYS A 48 -1.758 -3.103 -52.434 1.00 3.33 C ATOM 700 CG LYS A 48 -0.422 -3.811 -52.301 1.00 1.41 C ATOM 701 CD LYS A 48 -0.590 -5.223 -51.765 1.00 23.22 C ATOM 702 CE LYS A 48 -0.923 -5.220 -50.281 1.00 50.11 C ATOM 703 NZ LYS A 48 0.269 -4.904 -49.446 1.00 35.33 N ATOM 0 H LYS A 48 0.350 -1.468 -52.569 1.00 71.53 H new ATOM 0 HA LYS A 48 -2.589 -1.122 -52.508 1.00 11.32 H new ATOM 0 HB2 LYS A 48 -2.478 -3.575 -51.765 1.00 3.33 H new ATOM 0 HB3 LYS A 48 -2.131 -3.237 -53.449 1.00 3.33 H new ATOM 0 HG2 LYS A 48 0.071 -3.846 -53.273 1.00 1.41 H new ATOM 0 HG3 LYS A 48 0.227 -3.243 -51.635 1.00 1.41 H new ATOM 0 HD2 LYS A 48 -1.382 -5.730 -52.316 1.00 23.22 H new ATOM 0 HD3 LYS A 48 0.327 -5.788 -51.932 1.00 23.22 H new ATOM 0 HE2 LYS A 48 -1.707 -4.488 -50.086 1.00 50.11 H new ATOM 0 HE3 LYS A 48 -1.318 -6.195 -49.995 1.00 50.11 H new ATOM 0 HZ1 LYS A 48 0.042 -5.060 -48.443 1.00 35.33 H new ATOM 0 HZ2 LYS A 48 1.060 -5.521 -49.722 1.00 35.33 H new ATOM 0 HZ3 LYS A 48 0.539 -3.910 -49.589 1.00 35.33 H new ATOM 717 N THR A 49 -2.731 -0.876 -50.052 1.00 24.20 N ATOM 718 CA THR A 49 -2.811 -0.625 -48.618 1.00 33.43 C ATOM 719 C THR A 49 -3.804 -1.568 -47.950 1.00 23.33 C ATOM 720 O THR A 49 -4.817 -1.941 -48.542 1.00 30.44 O ATOM 721 CB THR A 49 -3.223 0.830 -48.325 1.00 23.04 C ATOM 722 OG1 THR A 49 -4.649 0.954 -48.371 1.00 71.41 O ATOM 723 CG2 THR A 49 -2.593 1.784 -49.328 1.00 11.34 C ATOM 0 H THR A 49 -3.571 -0.620 -50.572 1.00 24.20 H new ATOM 0 HA THR A 49 -1.816 -0.802 -48.209 1.00 33.43 H new ATOM 0 HB THR A 49 -2.868 1.091 -47.328 1.00 23.04 H new ATOM 0 HG1 THR A 49 -4.889 1.854 -48.675 1.00 71.41 H new ATOM 0 HG21 THR A 49 -2.899 2.805 -49.100 1.00 11.34 H new ATOM 0 HG22 THR A 49 -1.507 1.709 -49.269 1.00 11.34 H new ATOM 0 HG23 THR A 49 -2.921 1.523 -50.334 1.00 11.34 H new ATOM 731 N LYS A 50 -3.509 -1.950 -46.711 1.00 0.23 N ATOM 732 CA LYS A 50 -4.377 -2.848 -45.960 1.00 40.32 C ATOM 733 C LYS A 50 -5.483 -2.070 -45.253 1.00 44.04 C ATOM 734 O LYS A 50 -5.280 -0.935 -44.822 1.00 74.05 O ATOM 735 CB LYS A 50 -3.562 -3.640 -44.936 1.00 72.40 C ATOM 736 CG LYS A 50 -2.529 -4.562 -45.563 1.00 63.13 C ATOM 737 CD LYS A 50 -2.615 -5.966 -44.989 1.00 60.51 C ATOM 738 CE LYS A 50 -1.886 -6.972 -45.866 1.00 33.12 C ATOM 739 NZ LYS A 50 -2.719 -8.175 -46.141 1.00 33.44 N ATOM 0 H LYS A 50 -2.675 -1.651 -46.206 1.00 0.23 H new ATOM 0 HA LYS A 50 -4.837 -3.542 -46.664 1.00 40.32 H new ATOM 0 HB2 LYS A 50 -3.057 -2.942 -44.268 1.00 72.40 H new ATOM 0 HB3 LYS A 50 -4.241 -4.232 -44.323 1.00 72.40 H new ATOM 0 HG2 LYS A 50 -2.680 -4.599 -46.642 1.00 63.13 H new ATOM 0 HG3 LYS A 50 -1.530 -4.159 -45.394 1.00 63.13 H new ATOM 0 HD2 LYS A 50 -2.186 -5.977 -43.987 1.00 60.51 H new ATOM 0 HD3 LYS A 50 -3.661 -6.257 -44.892 1.00 60.51 H new ATOM 0 HE2 LYS A 50 -1.609 -6.499 -46.808 1.00 33.12 H new ATOM 0 HE3 LYS A 50 -0.960 -7.276 -45.378 1.00 33.12 H new ATOM 0 HZ1 LYS A 50 -2.465 -8.568 -47.070 1.00 33.44 H new ATOM 0 HZ2 LYS A 50 -2.550 -8.890 -45.405 1.00 33.44 H new ATOM 0 HZ3 LYS A 50 -3.724 -7.909 -46.141 1.00 33.44 H new ATOM 753 N CYS A 51 -6.653 -2.690 -45.135 1.00 12.44 N ATOM 754 CA CYS A 51 -7.791 -2.057 -44.480 1.00 62.14 C ATOM 755 C CYS A 51 -8.663 -3.096 -43.780 1.00 11.34 C ATOM 756 O CYS A 51 -8.466 -4.300 -43.946 1.00 22.11 O ATOM 757 CB CYS A 51 -8.625 -1.277 -45.498 1.00 33.45 C ATOM 758 SG CYS A 51 -8.978 -2.198 -47.030 1.00 13.11 S ATOM 0 H CYS A 51 -6.837 -3.630 -45.485 1.00 12.44 H new ATOM 0 HA CYS A 51 -7.407 -1.365 -43.730 1.00 62.14 H new ATOM 0 HB2 CYS A 51 -9.568 -0.988 -45.034 1.00 33.45 H new ATOM 0 HB3 CYS A 51 -8.100 -0.356 -45.753 1.00 33.45 H new ATOM 764 N LYS A 52 -9.626 -2.621 -42.998 1.00 21.25 N ATOM 765 CA LYS A 52 -10.531 -3.508 -42.275 1.00 74.00 C ATOM 766 C LYS A 52 -11.979 -3.261 -42.685 1.00 42.05 C ATOM 767 O LYS A 52 -12.462 -2.129 -42.644 1.00 51.54 O ATOM 768 CB LYS A 52 -10.375 -3.306 -40.766 1.00 3.41 C ATOM 769 CG LYS A 52 -10.426 -4.599 -39.971 1.00 35.02 C ATOM 770 CD LYS A 52 -11.857 -5.031 -39.697 1.00 52.13 C ATOM 771 CE LYS A 52 -12.411 -4.360 -38.450 1.00 62.53 C ATOM 772 NZ LYS A 52 -13.562 -5.116 -37.879 1.00 35.21 N ATOM 0 H LYS A 52 -9.800 -1.627 -42.848 1.00 21.25 H new ATOM 0 HA LYS A 52 -10.272 -4.536 -42.528 1.00 74.00 H new ATOM 0 HB2 LYS A 52 -9.426 -2.807 -40.571 1.00 3.41 H new ATOM 0 HB3 LYS A 52 -11.164 -2.641 -40.413 1.00 3.41 H new ATOM 0 HG2 LYS A 52 -9.907 -5.385 -40.520 1.00 35.02 H new ATOM 0 HG3 LYS A 52 -9.898 -4.467 -39.027 1.00 35.02 H new ATOM 0 HD2 LYS A 52 -12.484 -4.783 -40.554 1.00 52.13 H new ATOM 0 HD3 LYS A 52 -11.895 -6.114 -39.577 1.00 52.13 H new ATOM 0 HE2 LYS A 52 -11.623 -4.277 -37.701 1.00 62.53 H new ATOM 0 HE3 LYS A 52 -12.727 -3.346 -38.693 1.00 62.53 H new ATOM 0 HZ1 LYS A 52 -13.912 -4.627 -37.030 1.00 35.21 H new ATOM 0 HZ2 LYS A 52 -14.324 -5.173 -38.584 1.00 35.21 H new ATOM 0 HZ3 LYS A 52 -13.254 -6.076 -37.623 1.00 35.21 H new ATOM 786 N VAL A 53 -12.668 -4.327 -43.080 1.00 41.55 N ATOM 787 CA VAL A 53 -14.061 -4.226 -43.495 1.00 4.44 C ATOM 788 C VAL A 53 -15.003 -4.418 -42.312 1.00 41.13 C ATOM 789 O VAL A 53 -14.682 -5.097 -41.335 1.00 12.53 O ATOM 790 CB VAL A 53 -14.401 -5.264 -44.581 1.00 71.44 C ATOM 791 CG1 VAL A 53 -13.381 -5.211 -45.708 1.00 13.41 C ATOM 792 CG2 VAL A 53 -14.469 -6.660 -43.979 1.00 52.33 C ATOM 0 H VAL A 53 -12.283 -5.271 -43.121 1.00 41.55 H new ATOM 0 HA VAL A 53 -14.196 -3.225 -43.905 1.00 4.44 H new ATOM 0 HB VAL A 53 -15.379 -5.023 -44.997 1.00 71.44 H new ATOM 0 HG11 VAL A 53 -13.637 -5.951 -46.466 1.00 13.41 H new ATOM 0 HG12 VAL A 53 -13.385 -4.217 -46.156 1.00 13.41 H new ATOM 0 HG13 VAL A 53 -12.389 -5.427 -45.311 1.00 13.41 H new ATOM 0 HG21 VAL A 53 -14.710 -7.382 -44.760 1.00 52.33 H new ATOM 0 HG22 VAL A 53 -13.505 -6.913 -43.536 1.00 52.33 H new ATOM 0 HG23 VAL A 53 -15.240 -6.687 -43.209 1.00 52.33 H new ATOM 802 N PRO A 54 -16.194 -3.809 -42.397 1.00 53.50 N ATOM 803 CA PRO A 54 -17.208 -3.898 -41.342 1.00 62.50 C ATOM 804 C PRO A 54 -17.819 -5.292 -41.244 1.00 63.13 C ATOM 805 O PRO A 54 -18.954 -5.514 -41.665 1.00 21.00 O ATOM 806 CB PRO A 54 -18.265 -2.881 -41.778 1.00 41.40 C ATOM 807 CG PRO A 54 -18.107 -2.781 -43.256 1.00 3.42 C ATOM 808 CD PRO A 54 -16.643 -2.983 -43.531 1.00 32.05 C ATOM 0 HA PRO A 54 -16.789 -3.700 -40.356 1.00 62.50 H new ATOM 0 HB2 PRO A 54 -19.268 -3.212 -41.509 1.00 41.40 H new ATOM 0 HB3 PRO A 54 -18.108 -1.916 -41.297 1.00 41.40 H new ATOM 0 HG2 PRO A 54 -18.707 -3.536 -43.764 1.00 3.42 H new ATOM 0 HG3 PRO A 54 -18.442 -1.809 -43.619 1.00 3.42 H new ATOM 0 HD2 PRO A 54 -16.479 -3.486 -44.484 1.00 32.05 H new ATOM 0 HD3 PRO A 54 -16.108 -2.035 -43.574 1.00 32.05 H new ATOM 816 N CYS A 55 -17.060 -6.228 -40.682 1.00 55.30 N ATOM 817 CA CYS A 55 -17.526 -7.600 -40.527 1.00 32.22 C ATOM 818 C CYS A 55 -17.432 -8.046 -39.071 1.00 11.41 C ATOM 819 O CYS A 55 -16.731 -7.432 -38.268 1.00 62.15 O ATOM 820 CB CYS A 55 -16.709 -8.542 -41.414 1.00 10.11 C ATOM 821 SG CYS A 55 -17.588 -10.064 -41.892 1.00 22.10 S ATOM 0 H CYS A 55 -16.119 -6.060 -40.326 1.00 55.30 H new ATOM 0 HA CYS A 55 -18.571 -7.638 -40.833 1.00 32.22 H new ATOM 0 HB2 CYS A 55 -16.413 -8.008 -42.317 1.00 10.11 H new ATOM 0 HB3 CYS A 55 -15.793 -8.814 -40.890 1.00 10.11 H new ATOM 827 N ASN A 56 -18.144 -9.117 -38.739 1.00 24.14 N ATOM 828 CA ASN A 56 -18.142 -9.646 -37.379 1.00 14.45 C ATOM 829 C ASN A 56 -16.929 -10.542 -37.146 1.00 22.12 C ATOM 830 O ASN A 56 -17.069 -11.703 -36.763 1.00 32.41 O ATOM 831 CB ASN A 56 -19.429 -10.428 -37.112 1.00 62.13 C ATOM 832 CG ASN A 56 -20.666 -9.684 -37.577 1.00 50.43 C ATOM 833 OD1 ASN A 56 -21.390 -10.150 -38.455 1.00 21.44 O ATOM 834 ND2 ASN A 56 -20.912 -8.520 -36.986 1.00 55.22 N ATOM 0 H ASN A 56 -18.730 -9.636 -39.393 1.00 24.14 H new ATOM 0 HA ASN A 56 -18.087 -8.805 -36.688 1.00 14.45 H new ATOM 0 HB2 ASN A 56 -19.377 -11.392 -37.618 1.00 62.13 H new ATOM 0 HB3 ASN A 56 -19.511 -10.633 -36.045 1.00 62.13 H new ATOM 0 HD21 ASN A 56 -21.730 -7.974 -37.256 1.00 55.22 H new ATOM 0 HD22 ASN A 56 -20.283 -8.173 -36.262 1.00 55.22 H new ATOM 941 N GLY A 62 -3.825 -12.483 -32.980 1.00 4.23 N ATOM 942 CA GLY A 62 -2.937 -11.340 -33.073 1.00 13.23 C ATOM 943 C GLY A 62 -1.538 -11.651 -32.579 1.00 45.22 C ATOM 944 O GLY A 62 -0.760 -12.307 -33.270 1.00 25.20 O ATOM 0 HA2 GLY A 62 -2.887 -11.006 -34.109 1.00 13.23 H new ATOM 0 HA3 GLY A 62 -3.349 -10.515 -32.492 1.00 13.23 H new ATOM 948 N ALA A 63 -1.217 -11.177 -31.380 1.00 65.34 N ATOM 949 CA ALA A 63 0.097 -11.409 -30.792 1.00 32.23 C ATOM 950 C ALA A 63 0.147 -12.751 -30.070 1.00 23.51 C ATOM 951 O ALA A 63 1.079 -13.533 -30.257 1.00 40.25 O ATOM 952 CB ALA A 63 0.455 -10.279 -29.838 1.00 63.41 C ATOM 0 H ALA A 63 -1.849 -10.630 -30.796 1.00 65.34 H new ATOM 0 HA ALA A 63 0.830 -11.434 -31.599 1.00 32.23 H new ATOM 0 HB1 ALA A 63 1.438 -10.465 -29.406 1.00 63.41 H new ATOM 0 HB2 ALA A 63 0.470 -9.335 -30.382 1.00 63.41 H new ATOM 0 HB3 ALA A 63 -0.287 -10.227 -29.041 1.00 63.41 H new ATOM 958 N ASP A 64 -0.862 -13.011 -29.245 1.00 31.02 N ATOM 959 CA ASP A 64 -0.933 -14.259 -28.495 1.00 61.33 C ATOM 960 C ASP A 64 0.375 -14.523 -27.755 1.00 64.44 C ATOM 961 O ASP A 64 0.762 -15.675 -27.549 1.00 13.20 O ATOM 962 CB ASP A 64 -1.247 -15.426 -29.433 1.00 34.12 C ATOM 963 CG ASP A 64 -2.731 -15.564 -29.710 1.00 55.22 C ATOM 964 OD1 ASP A 64 -3.488 -15.849 -28.759 1.00 61.34 O ATOM 965 OD2 ASP A 64 -3.135 -15.384 -30.877 1.00 22.13 O ATOM 0 H ASP A 64 -1.641 -12.374 -29.079 1.00 31.02 H new ATOM 0 HA ASP A 64 -1.733 -14.168 -27.761 1.00 61.33 H new ATOM 0 HB2 ASP A 64 -0.716 -15.284 -30.375 1.00 34.12 H new ATOM 0 HB3 ASP A 64 -0.875 -16.352 -28.994 1.00 34.12 H new ATOM 970 N CYS A 65 1.051 -13.451 -27.357 1.00 30.24 N ATOM 971 CA CYS A 65 2.315 -13.566 -26.641 1.00 20.20 C ATOM 972 C CYS A 65 2.318 -12.681 -25.397 1.00 24.44 C ATOM 973 O CYS A 65 1.771 -11.578 -25.404 1.00 62.10 O ATOM 974 CB CYS A 65 3.479 -13.182 -27.555 1.00 73.24 C ATOM 975 SG CYS A 65 3.756 -14.341 -28.933 1.00 54.22 S ATOM 0 H CYS A 65 0.744 -12.492 -27.519 1.00 30.24 H new ATOM 0 HA CYS A 65 2.434 -14.603 -26.328 1.00 20.20 H new ATOM 0 HB2 CYS A 65 3.295 -12.188 -27.962 1.00 73.24 H new ATOM 0 HB3 CYS A 65 4.389 -13.119 -26.959 1.00 73.24 H new ATOM 981 N LYS A 66 2.938 -13.173 -24.329 1.00 24.35 N ATOM 982 CA LYS A 66 3.013 -12.430 -23.078 1.00 53.44 C ATOM 983 C LYS A 66 4.188 -11.457 -23.095 1.00 43.44 C ATOM 984 O LYS A 66 5.345 -11.866 -23.201 1.00 50.24 O ATOM 985 CB LYS A 66 3.152 -13.392 -21.896 1.00 23.53 C ATOM 986 CG LYS A 66 2.576 -12.850 -20.599 1.00 11.24 C ATOM 987 CD LYS A 66 3.672 -12.497 -19.608 1.00 43.04 C ATOM 988 CE LYS A 66 3.975 -13.660 -18.675 1.00 11.21 C ATOM 989 NZ LYS A 66 3.481 -13.406 -17.293 1.00 51.41 N ATOM 0 H LYS A 66 3.396 -14.084 -24.306 1.00 24.35 H new ATOM 0 HA LYS A 66 2.091 -11.859 -22.967 1.00 53.44 H new ATOM 0 HB2 LYS A 66 2.653 -14.330 -22.141 1.00 23.53 H new ATOM 0 HB3 LYS A 66 4.207 -13.621 -21.747 1.00 23.53 H new ATOM 0 HG2 LYS A 66 1.975 -11.965 -20.808 1.00 11.24 H new ATOM 0 HG3 LYS A 66 1.910 -13.591 -20.158 1.00 11.24 H new ATOM 0 HD2 LYS A 66 4.576 -12.217 -20.148 1.00 43.04 H new ATOM 0 HD3 LYS A 66 3.369 -11.629 -19.023 1.00 43.04 H new ATOM 0 HE2 LYS A 66 3.514 -14.568 -19.064 1.00 11.21 H new ATOM 0 HE3 LYS A 66 5.051 -13.835 -18.650 1.00 11.21 H new ATOM 0 HZ1 LYS A 66 3.707 -14.221 -16.688 1.00 51.41 H new ATOM 0 HZ2 LYS A 66 3.940 -12.554 -16.911 1.00 51.41 H new ATOM 0 HZ3 LYS A 66 2.451 -13.265 -17.313 1.00 51.41 H new ATOM 1003 N TYR A 67 3.884 -10.168 -22.987 1.00 40.30 N ATOM 1004 CA TYR A 67 4.915 -9.137 -22.990 1.00 20.34 C ATOM 1005 C TYR A 67 4.946 -8.393 -21.659 1.00 31.10 C ATOM 1006 O TYR A 67 3.906 -8.138 -21.051 1.00 23.32 O ATOM 1007 CB TYR A 67 4.674 -8.149 -24.134 1.00 54.14 C ATOM 1008 CG TYR A 67 4.942 -8.731 -25.503 1.00 63.13 C ATOM 1009 CD1 TYR A 67 6.224 -8.742 -26.037 1.00 42.04 C ATOM 1010 CD2 TYR A 67 3.911 -9.270 -26.264 1.00 30.00 C ATOM 1011 CE1 TYR A 67 6.472 -9.272 -27.288 1.00 75.43 C ATOM 1012 CE2 TYR A 67 4.151 -9.803 -27.515 1.00 12.13 C ATOM 1013 CZ TYR A 67 5.433 -9.802 -28.023 1.00 2.34 C ATOM 1014 OH TYR A 67 5.676 -10.331 -29.270 1.00 52.13 O ATOM 0 H TYR A 67 2.932 -9.813 -22.896 1.00 40.30 H new ATOM 0 HA TYR A 67 5.879 -9.624 -23.136 1.00 20.34 H new ATOM 0 HB2 TYR A 67 3.642 -7.802 -24.092 1.00 54.14 H new ATOM 0 HB3 TYR A 67 5.310 -7.276 -23.989 1.00 54.14 H new ATOM 0 HD1 TYR A 67 7.041 -8.329 -25.464 1.00 42.04 H new ATOM 0 HD2 TYR A 67 2.905 -9.272 -25.870 1.00 30.00 H new ATOM 0 HE1 TYR A 67 7.475 -9.271 -27.689 1.00 75.43 H new ATOM 0 HE2 TYR A 67 3.339 -10.219 -28.093 1.00 12.13 H new ATOM 0 HH TYR A 67 4.838 -10.663 -29.654 1.00 52.13 H new ATOM 1024 N LYS A 68 6.148 -8.047 -21.210 1.00 12.00 N ATOM 1025 CA LYS A 68 6.318 -7.330 -19.951 1.00 35.43 C ATOM 1026 C LYS A 68 6.694 -5.873 -20.201 1.00 20.30 C ATOM 1027 O LYS A 68 7.806 -5.574 -20.636 1.00 3.04 O ATOM 1028 CB LYS A 68 7.393 -8.006 -19.097 1.00 33.52 C ATOM 1029 CG LYS A 68 7.241 -7.745 -17.609 1.00 23.33 C ATOM 1030 CD LYS A 68 6.484 -8.869 -16.921 1.00 22.41 C ATOM 1031 CE LYS A 68 5.680 -8.356 -15.736 1.00 12.22 C ATOM 1032 NZ LYS A 68 4.274 -8.847 -15.764 1.00 14.22 N ATOM 0 H LYS A 68 7.019 -8.252 -21.699 1.00 12.00 H new ATOM 0 HA LYS A 68 5.369 -7.355 -19.416 1.00 35.43 H new ATOM 0 HB2 LYS A 68 7.362 -9.081 -19.274 1.00 33.52 H new ATOM 0 HB3 LYS A 68 8.374 -7.658 -19.420 1.00 33.52 H new ATOM 0 HG2 LYS A 68 8.226 -7.637 -17.155 1.00 23.33 H new ATOM 0 HG3 LYS A 68 6.714 -6.803 -17.456 1.00 23.33 H new ATOM 0 HD2 LYS A 68 5.815 -9.349 -17.635 1.00 22.41 H new ATOM 0 HD3 LYS A 68 7.188 -9.629 -16.583 1.00 22.41 H new ATOM 0 HE2 LYS A 68 6.157 -8.674 -14.809 1.00 12.22 H new ATOM 0 HE3 LYS A 68 5.684 -7.266 -15.739 1.00 12.22 H new ATOM 0 HZ1 LYS A 68 3.760 -8.475 -14.940 1.00 14.22 H new ATOM 0 HZ2 LYS A 68 3.810 -8.523 -16.637 1.00 14.22 H new ATOM 0 HZ3 LYS A 68 4.269 -9.887 -15.735 1.00 14.22 H new ATOM 1046 N PHE A 69 5.760 -4.970 -19.922 1.00 25.34 N ATOM 1047 CA PHE A 69 5.994 -3.544 -20.116 1.00 5.25 C ATOM 1048 C PHE A 69 6.503 -2.896 -18.831 1.00 14.24 C ATOM 1049 O PHE A 69 6.284 -3.410 -17.736 1.00 5.51 O ATOM 1050 CB PHE A 69 4.707 -2.852 -20.574 1.00 31.53 C ATOM 1051 CG PHE A 69 4.396 -3.067 -22.027 1.00 24.33 C ATOM 1052 CD1 PHE A 69 5.367 -2.864 -22.995 1.00 63.32 C ATOM 1053 CD2 PHE A 69 3.133 -3.473 -22.426 1.00 5.42 C ATOM 1054 CE1 PHE A 69 5.083 -3.062 -24.333 1.00 1.00 C ATOM 1055 CE2 PHE A 69 2.843 -3.672 -23.763 1.00 62.12 C ATOM 1056 CZ PHE A 69 3.820 -3.465 -24.718 1.00 63.52 C ATOM 0 H PHE A 69 4.834 -5.200 -19.561 1.00 25.34 H new ATOM 0 HA PHE A 69 6.756 -3.428 -20.887 1.00 5.25 H new ATOM 0 HB2 PHE A 69 3.874 -3.218 -19.974 1.00 31.53 H new ATOM 0 HB3 PHE A 69 4.791 -1.782 -20.383 1.00 31.53 H new ATOM 0 HD1 PHE A 69 6.357 -2.548 -22.700 1.00 63.32 H new ATOM 0 HD2 PHE A 69 2.366 -3.636 -21.684 1.00 5.42 H new ATOM 0 HE1 PHE A 69 5.849 -2.901 -25.077 1.00 1.00 H new ATOM 0 HE2 PHE A 69 1.854 -3.989 -24.061 1.00 62.12 H new ATOM 0 HZ PHE A 69 3.596 -3.618 -25.763 1.00 63.52 H new ATOM 1066 N GLY A 70 7.185 -1.764 -18.977 1.00 4.32 N ATOM 1067 CA GLY A 70 7.716 -1.065 -17.822 1.00 44.24 C ATOM 1068 C GLY A 70 7.251 0.376 -17.752 1.00 43.32 C ATOM 1069 O GLY A 70 6.077 0.645 -17.496 1.00 24.45 O ATOM 0 H GLY A 70 7.379 -1.319 -19.874 1.00 4.32 H new ATOM 0 HA2 GLY A 70 7.412 -1.586 -16.914 1.00 44.24 H new ATOM 0 HA3 GLY A 70 8.805 -1.091 -17.855 1.00 44.24 H new ATOM 1073 N ARG A 71 8.173 1.306 -17.977 1.00 13.11 N ATOM 1074 CA ARG A 71 7.852 2.727 -17.936 1.00 63.00 C ATOM 1075 C ARG A 71 8.062 3.372 -19.302 1.00 31.13 C ATOM 1076 O ARG A 71 8.946 2.972 -20.059 1.00 33.43 O ATOM 1077 CB ARG A 71 8.711 3.436 -16.888 1.00 55.35 C ATOM 1078 CG ARG A 71 8.804 2.687 -15.569 1.00 53.35 C ATOM 1079 CD ARG A 71 8.401 3.570 -14.397 1.00 23.43 C ATOM 1080 NE ARG A 71 7.017 3.338 -13.988 1.00 35.44 N ATOM 1081 CZ ARG A 71 6.320 4.186 -13.241 1.00 31.14 C ATOM 1082 NH1 ARG A 71 6.874 5.316 -12.823 1.00 3.25 N ATOM 1083 NH2 ARG A 71 5.066 3.905 -12.911 1.00 63.44 N ATOM 0 H ARG A 71 9.149 1.100 -18.190 1.00 13.11 H new ATOM 0 HA ARG A 71 6.801 2.828 -17.664 1.00 63.00 H new ATOM 0 HB2 ARG A 71 9.715 3.576 -17.288 1.00 55.35 H new ATOM 0 HB3 ARG A 71 8.300 4.429 -16.704 1.00 55.35 H new ATOM 0 HG2 ARG A 71 8.160 1.808 -15.602 1.00 53.35 H new ATOM 0 HG3 ARG A 71 9.823 2.330 -15.423 1.00 53.35 H new ATOM 0 HD2 ARG A 71 9.065 3.379 -13.554 1.00 23.43 H new ATOM 0 HD3 ARG A 71 8.527 4.617 -14.672 1.00 23.43 H new ATOM 0 HE ARG A 71 6.562 2.478 -14.293 1.00 35.44 H new ATOM 0 HH11 ARG A 71 7.838 5.535 -13.075 1.00 3.25 H new ATOM 0 HH12 ARG A 71 6.336 5.966 -12.249 1.00 3.25 H new ATOM 0 HH21 ARG A 71 4.637 3.037 -13.231 1.00 63.44 H new ATOM 0 HH22 ARG A 71 4.531 4.557 -12.337 1.00 63.44 H new ATOM 1097 N TRP A 72 7.244 4.372 -19.611 1.00 31.40 N ATOM 1098 CA TRP A 72 7.340 5.071 -20.887 1.00 1.45 C ATOM 1099 C TRP A 72 8.457 6.109 -20.857 1.00 73.22 C ATOM 1100 O TRP A 72 8.698 6.804 -21.842 1.00 11.01 O ATOM 1101 CB TRP A 72 6.010 5.748 -21.222 1.00 22.34 C ATOM 1102 CG TRP A 72 5.016 4.822 -21.857 1.00 32.11 C ATOM 1103 CD1 TRP A 72 3.840 4.386 -21.315 1.00 32.45 C ATOM 1104 CD2 TRP A 72 5.113 4.217 -23.151 1.00 11.22 C ATOM 1105 NE1 TRP A 72 3.201 3.547 -22.196 1.00 34.51 N ATOM 1106 CE2 TRP A 72 3.961 3.427 -23.330 1.00 45.45 C ATOM 1107 CE3 TRP A 72 6.060 4.268 -24.178 1.00 3.32 C ATOM 1108 CZ2 TRP A 72 3.733 2.695 -24.492 1.00 42.02 C ATOM 1109 CZ3 TRP A 72 5.833 3.540 -25.330 1.00 40.41 C ATOM 1110 CH2 TRP A 72 4.677 2.763 -25.480 1.00 32.52 C ATOM 0 H TRP A 72 6.507 4.717 -18.996 1.00 31.40 H new ATOM 0 HA TRP A 72 7.572 4.336 -21.658 1.00 1.45 H new ATOM 0 HB2 TRP A 72 5.580 6.160 -20.309 1.00 22.34 H new ATOM 0 HB3 TRP A 72 6.196 6.586 -21.894 1.00 22.34 H new ATOM 0 HD1 TRP A 72 3.468 4.660 -20.339 1.00 32.45 H new ATOM 0 HE1 TRP A 72 2.305 3.088 -22.032 1.00 34.51 H new ATOM 0 HE3 TRP A 72 6.953 4.866 -24.073 1.00 3.32 H new ATOM 0 HZ2 TRP A 72 2.843 2.095 -24.609 1.00 42.02 H new ATOM 0 HZ3 TRP A 72 6.559 3.570 -26.129 1.00 40.41 H new ATOM 0 HH2 TRP A 72 4.528 2.207 -26.394 1.00 32.52 H new ATOM 1121 N ALA A 73 9.137 6.206 -19.719 1.00 51.13 N ATOM 1122 CA ALA A 73 10.231 7.156 -19.562 1.00 50.41 C ATOM 1123 C ALA A 73 9.742 8.591 -19.738 1.00 63.33 C ATOM 1124 O ALA A 73 8.542 8.835 -19.859 1.00 13.22 O ATOM 1125 CB ALA A 73 11.343 6.851 -20.555 1.00 64.55 C ATOM 0 H ALA A 73 8.949 5.638 -18.893 1.00 51.13 H new ATOM 0 HA ALA A 73 10.624 7.054 -18.550 1.00 50.41 H new ATOM 0 HB1 ALA A 73 12.153 7.569 -20.426 1.00 64.55 H new ATOM 0 HB2 ALA A 73 11.720 5.843 -20.381 1.00 64.55 H new ATOM 0 HB3 ALA A 73 10.954 6.922 -21.571 1.00 64.55 H new ATOM 1131 N GLU A 74 10.679 9.533 -19.749 1.00 24.34 N ATOM 1132 CA GLU A 74 10.341 10.943 -19.908 1.00 12.03 C ATOM 1133 C GLU A 74 10.580 11.400 -21.344 1.00 1.33 C ATOM 1134 O GLU A 74 11.341 10.781 -22.087 1.00 34.11 O ATOM 1135 CB GLU A 74 11.166 11.800 -18.945 1.00 62.11 C ATOM 1136 CG GLU A 74 10.905 11.491 -17.480 1.00 31.01 C ATOM 1137 CD GLU A 74 9.685 12.210 -16.940 1.00 34.13 C ATOM 1138 OE1 GLU A 74 9.593 13.442 -17.126 1.00 31.23 O ATOM 1139 OE2 GLU A 74 8.823 11.543 -16.331 1.00 53.22 O ATOM 0 H GLU A 74 11.677 9.346 -19.650 1.00 24.34 H new ATOM 0 HA GLU A 74 9.283 11.065 -19.676 1.00 12.03 H new ATOM 0 HB2 GLU A 74 12.225 11.652 -19.156 1.00 62.11 H new ATOM 0 HB3 GLU A 74 10.948 12.852 -19.130 1.00 62.11 H new ATOM 0 HG2 GLU A 74 10.772 10.416 -17.357 1.00 31.01 H new ATOM 0 HG3 GLU A 74 11.778 11.773 -16.892 1.00 31.01 H new ATOM 1146 N CYS A 75 9.922 12.489 -21.730 1.00 65.44 N ATOM 1147 CA CYS A 75 10.059 13.030 -23.076 1.00 43.31 C ATOM 1148 C CYS A 75 11.341 13.848 -23.205 1.00 42.33 C ATOM 1149 O CYS A 75 11.564 14.796 -22.450 1.00 25.54 O ATOM 1150 CB CYS A 75 8.849 13.899 -23.425 1.00 41.43 C ATOM 1151 SG CYS A 75 7.721 13.148 -24.642 1.00 61.32 S ATOM 0 H CYS A 75 9.288 13.014 -21.128 1.00 65.44 H new ATOM 0 HA CYS A 75 10.110 12.194 -23.773 1.00 43.31 H new ATOM 0 HB2 CYS A 75 8.292 14.111 -22.512 1.00 41.43 H new ATOM 0 HB3 CYS A 75 9.201 14.855 -23.813 1.00 41.43 H new ATOM 1157 N ASP A 76 12.180 13.476 -24.165 1.00 25.41 N ATOM 1158 CA ASP A 76 13.438 14.176 -24.394 1.00 33.13 C ATOM 1159 C ASP A 76 13.319 15.135 -25.574 1.00 41.24 C ATOM 1160 O ASP A 76 12.757 14.792 -26.614 1.00 35.44 O ATOM 1161 CB ASP A 76 14.564 13.172 -24.648 1.00 52.02 C ATOM 1162 CG ASP A 76 15.286 12.777 -23.375 1.00 65.31 C ATOM 1163 OD1 ASP A 76 14.770 13.087 -22.279 1.00 13.02 O ATOM 1164 OD2 ASP A 76 16.364 12.155 -23.472 1.00 14.45 O ATOM 0 H ASP A 76 12.012 12.693 -24.797 1.00 25.41 H new ATOM 0 HA ASP A 76 13.672 14.755 -23.501 1.00 33.13 H new ATOM 0 HB2 ASP A 76 14.152 12.280 -25.120 1.00 52.02 H new ATOM 0 HB3 ASP A 76 15.279 13.602 -25.349 1.00 52.02 H new ATOM 1169 N THR A 77 13.852 16.342 -25.405 1.00 11.11 N ATOM 1170 CA THR A 77 13.804 17.353 -26.454 1.00 31.42 C ATOM 1171 C THR A 77 14.518 16.873 -27.712 1.00 22.43 C ATOM 1172 O THR A 77 14.291 17.394 -28.805 1.00 12.30 O ATOM 1173 CB THR A 77 14.440 18.675 -25.989 1.00 14.31 C ATOM 1174 OG1 THR A 77 15.854 18.509 -25.828 1.00 44.33 O ATOM 1175 CG2 THR A 77 13.827 19.140 -24.677 1.00 63.11 C ATOM 0 H THR A 77 14.322 16.643 -24.551 1.00 11.11 H new ATOM 0 HA THR A 77 12.752 17.525 -26.680 1.00 31.42 H new ATOM 0 HB THR A 77 14.247 19.432 -26.750 1.00 14.31 H new ATOM 0 HG1 THR A 77 16.251 19.355 -25.534 1.00 44.33 H new ATOM 0 HG21 THR A 77 14.293 20.076 -24.369 1.00 63.11 H new ATOM 0 HG22 THR A 77 12.756 19.294 -24.810 1.00 63.11 H new ATOM 0 HG23 THR A 77 13.992 18.383 -23.910 1.00 63.11 H new ATOM 1183 N THR A 78 15.383 15.876 -27.553 1.00 62.42 N ATOM 1184 CA THR A 78 16.131 15.326 -28.676 1.00 71.20 C ATOM 1185 C THR A 78 15.201 14.951 -29.825 1.00 60.12 C ATOM 1186 O THR A 78 15.167 15.624 -30.856 1.00 72.41 O ATOM 1187 CB THR A 78 16.939 14.083 -28.259 1.00 50.02 C ATOM 1188 OG1 THR A 78 17.861 14.425 -27.218 1.00 41.52 O ATOM 1189 CG2 THR A 78 17.698 13.507 -29.445 1.00 32.13 C ATOM 0 H THR A 78 15.583 15.433 -26.656 1.00 62.42 H new ATOM 0 HA THR A 78 16.820 16.103 -29.007 1.00 71.20 H new ATOM 0 HB THR A 78 16.241 13.330 -27.894 1.00 50.02 H new ATOM 0 HG1 THR A 78 18.370 13.629 -26.957 1.00 41.52 H new ATOM 0 HG21 THR A 78 18.261 12.630 -29.126 1.00 32.13 H new ATOM 0 HG22 THR A 78 16.992 13.221 -30.225 1.00 32.13 H new ATOM 0 HG23 THR A 78 18.386 14.257 -29.836 1.00 32.13 H new ATOM 1197 N THR A 79 14.447 13.872 -29.641 1.00 3.32 N ATOM 1198 CA THR A 79 13.516 13.406 -30.662 1.00 12.44 C ATOM 1199 C THR A 79 12.106 13.920 -30.396 1.00 31.43 C ATOM 1200 O THR A 79 11.273 13.974 -31.300 1.00 11.50 O ATOM 1201 CB THR A 79 13.485 11.868 -30.736 1.00 15.41 C ATOM 1202 OG1 THR A 79 12.422 11.440 -31.594 1.00 72.01 O ATOM 1203 CG2 THR A 79 13.302 11.264 -29.352 1.00 12.11 C ATOM 0 H THR A 79 14.463 13.304 -28.794 1.00 3.32 H new ATOM 0 HA THR A 79 13.870 13.800 -31.615 1.00 12.44 H new ATOM 0 HB THR A 79 14.437 11.526 -31.141 1.00 15.41 H new ATOM 0 HG1 THR A 79 11.722 11.012 -31.059 1.00 72.01 H new ATOM 0 HG21 THR A 79 13.283 10.177 -29.429 1.00 12.11 H new ATOM 0 HG22 THR A 79 14.129 11.568 -28.710 1.00 12.11 H new ATOM 0 HG23 THR A 79 12.363 11.614 -28.924 1.00 12.11 H new ATOM 1211 N GLY A 80 11.844 14.295 -29.148 1.00 23.31 N ATOM 1212 CA GLY A 80 10.532 14.799 -28.785 1.00 51.12 C ATOM 1213 C GLY A 80 9.509 13.692 -28.624 1.00 15.13 C ATOM 1214 O GLY A 80 8.304 13.932 -28.707 1.00 24.25 O ATOM 0 H GLY A 80 12.516 14.259 -28.382 1.00 23.31 H new ATOM 0 HA2 GLY A 80 10.607 15.359 -27.853 1.00 51.12 H new ATOM 0 HA3 GLY A 80 10.190 15.497 -29.549 1.00 51.12 H new ATOM 1218 N THR A 81 9.989 12.474 -28.396 1.00 20.40 N ATOM 1219 CA THR A 81 9.108 11.324 -28.227 1.00 41.44 C ATOM 1220 C THR A 81 9.595 10.419 -27.101 1.00 51.55 C ATOM 1221 O THR A 81 10.783 10.402 -26.775 1.00 0.45 O ATOM 1222 CB THR A 81 9.005 10.500 -29.523 1.00 30.13 C ATOM 1223 OG1 THR A 81 10.314 10.157 -29.991 1.00 31.42 O ATOM 1224 CG2 THR A 81 8.264 11.277 -30.601 1.00 11.41 C ATOM 0 H THR A 81 10.983 12.258 -28.324 1.00 20.40 H new ATOM 0 HA THR A 81 8.123 11.716 -27.975 1.00 41.44 H new ATOM 0 HB THR A 81 8.447 9.589 -29.305 1.00 30.13 H new ATOM 0 HG1 THR A 81 10.240 9.632 -30.815 1.00 31.42 H new ATOM 0 HG21 THR A 81 8.204 10.675 -31.507 1.00 11.41 H new ATOM 0 HG22 THR A 81 7.258 11.512 -30.254 1.00 11.41 H new ATOM 0 HG23 THR A 81 8.799 12.202 -30.815 1.00 11.41 H new ATOM 1232 N ARG A 82 8.671 9.670 -26.508 1.00 32.25 N ATOM 1233 CA ARG A 82 9.007 8.762 -25.418 1.00 71.13 C ATOM 1234 C ARG A 82 8.948 7.310 -25.882 1.00 73.25 C ATOM 1235 O ARG A 82 7.919 6.845 -26.372 1.00 41.53 O ATOM 1236 CB ARG A 82 8.055 8.972 -24.240 1.00 10.41 C ATOM 1237 CG ARG A 82 8.701 9.662 -23.049 1.00 72.54 C ATOM 1238 CD ARG A 82 7.663 10.334 -22.164 1.00 34.22 C ATOM 1239 NE ARG A 82 6.543 9.447 -21.864 1.00 45.44 N ATOM 1240 CZ ARG A 82 5.359 9.877 -21.440 1.00 31.23 C ATOM 1241 NH1 ARG A 82 5.144 11.173 -21.268 1.00 4.05 N ATOM 1242 NH2 ARG A 82 4.389 9.008 -21.187 1.00 31.14 N ATOM 0 H ARG A 82 7.684 9.674 -26.764 1.00 32.25 H new ATOM 0 HA ARG A 82 10.025 8.981 -25.097 1.00 71.13 H new ATOM 0 HB2 ARG A 82 7.203 9.564 -24.574 1.00 10.41 H new ATOM 0 HB3 ARG A 82 7.666 8.005 -23.922 1.00 10.41 H new ATOM 0 HG2 ARG A 82 9.262 8.932 -22.465 1.00 72.54 H new ATOM 0 HG3 ARG A 82 9.416 10.405 -23.402 1.00 72.54 H new ATOM 0 HD2 ARG A 82 8.132 10.653 -21.233 1.00 34.22 H new ATOM 0 HD3 ARG A 82 7.292 11.232 -22.658 1.00 34.22 H new ATOM 0 HE ARG A 82 6.676 8.443 -21.986 1.00 45.44 H new ATOM 0 HH11 ARG A 82 5.888 11.843 -21.461 1.00 4.05 H new ATOM 0 HH12 ARG A 82 4.234 11.500 -20.943 1.00 4.05 H new ATOM 0 HH21 ARG A 82 4.552 8.010 -21.318 1.00 31.14 H new ATOM 0 HH22 ARG A 82 3.480 9.338 -20.862 1.00 31.14 H new ATOM 1256 N SER A 83 10.059 6.597 -25.723 1.00 40.14 N ATOM 1257 CA SER A 83 10.135 5.199 -26.128 1.00 3.35 C ATOM 1258 C SER A 83 10.201 4.283 -24.910 1.00 34.21 C ATOM 1259 O SER A 83 10.715 4.667 -23.858 1.00 24.44 O ATOM 1260 CB SER A 83 11.357 4.971 -27.020 1.00 31.53 C ATOM 1261 OG SER A 83 12.540 5.434 -26.393 1.00 25.12 O ATOM 0 H SER A 83 10.919 6.965 -25.316 1.00 40.14 H new ATOM 0 HA SER A 83 9.233 4.960 -26.691 1.00 3.35 H new ATOM 0 HB2 SER A 83 11.453 3.909 -27.246 1.00 31.53 H new ATOM 0 HB3 SER A 83 11.219 5.488 -27.970 1.00 31.53 H new ATOM 0 HG SER A 83 13.306 5.275 -26.983 1.00 25.12 H new ATOM 1267 N ARG A 84 9.680 3.070 -25.061 1.00 73.11 N ATOM 1268 CA ARG A 84 9.679 2.098 -23.974 1.00 62.43 C ATOM 1269 C ARG A 84 10.138 0.729 -24.467 1.00 55.12 C ATOM 1270 O ARG A 84 9.839 0.332 -25.593 1.00 63.43 O ATOM 1271 CB ARG A 84 8.282 1.988 -23.361 1.00 12.44 C ATOM 1272 CG ARG A 84 8.205 1.026 -22.187 1.00 54.12 C ATOM 1273 CD ARG A 84 7.386 -0.208 -22.530 1.00 4.31 C ATOM 1274 NE ARG A 84 5.965 0.101 -22.668 1.00 65.21 N ATOM 1275 CZ ARG A 84 5.186 0.447 -21.648 1.00 21.55 C ATOM 1276 NH1 ARG A 84 5.687 0.528 -20.424 1.00 24.34 N ATOM 1277 NH2 ARG A 84 3.902 0.711 -21.854 1.00 44.50 N ATOM 0 H ARG A 84 9.253 2.737 -25.925 1.00 73.11 H new ATOM 0 HA ARG A 84 10.377 2.443 -23.212 1.00 62.43 H new ATOM 0 HB2 ARG A 84 7.960 2.976 -23.032 1.00 12.44 H new ATOM 0 HB3 ARG A 84 7.581 1.665 -24.131 1.00 12.44 H new ATOM 0 HG2 ARG A 84 9.211 0.726 -21.894 1.00 54.12 H new ATOM 0 HG3 ARG A 84 7.761 1.532 -21.329 1.00 54.12 H new ATOM 0 HD2 ARG A 84 7.755 -0.641 -23.460 1.00 4.31 H new ATOM 0 HD3 ARG A 84 7.520 -0.960 -21.752 1.00 4.31 H new ATOM 0 HE ARG A 84 5.548 0.048 -23.597 1.00 65.21 H new ATOM 0 HH11 ARG A 84 6.673 0.325 -20.262 1.00 24.34 H new ATOM 0 HH12 ARG A 84 5.086 0.794 -19.644 1.00 24.34 H new ATOM 0 HH21 ARG A 84 3.513 0.648 -22.795 1.00 44.50 H new ATOM 0 HH22 ARG A 84 3.304 0.977 -21.072 1.00 44.50 H new ATOM 1291 N SER A 85 10.868 0.014 -23.618 1.00 61.04 N ATOM 1292 CA SER A 85 11.373 -1.308 -23.969 1.00 62.44 C ATOM 1293 C SER A 85 10.811 -2.372 -23.030 1.00 43.20 C ATOM 1294 O SER A 85 10.916 -2.257 -21.809 1.00 20.22 O ATOM 1295 CB SER A 85 12.902 -1.324 -23.916 1.00 23.02 C ATOM 1296 OG SER A 85 13.388 -2.613 -23.583 1.00 32.01 O ATOM 0 H SER A 85 11.123 0.328 -22.682 1.00 61.04 H new ATOM 0 HA SER A 85 11.048 -1.535 -24.984 1.00 62.44 H new ATOM 0 HB2 SER A 85 13.306 -1.018 -24.881 1.00 23.02 H new ATOM 0 HB3 SER A 85 13.251 -0.599 -23.180 1.00 23.02 H new ATOM 0 HG SER A 85 14.368 -2.597 -23.557 1.00 32.01 H new ATOM 1302 N GLY A 86 10.211 -3.407 -23.610 1.00 61.50 N ATOM 1303 CA GLY A 86 9.640 -4.477 -22.812 1.00 14.52 C ATOM 1304 C GLY A 86 10.283 -5.819 -23.096 1.00 63.30 C ATOM 1305 O GLY A 86 10.795 -6.052 -24.192 1.00 64.51 O ATOM 0 H GLY A 86 10.110 -3.524 -24.618 1.00 61.50 H new ATOM 0 HA2 GLY A 86 9.756 -4.239 -21.755 1.00 14.52 H new ATOM 0 HA3 GLY A 86 8.570 -4.541 -23.009 1.00 14.52 H new ATOM 1309 N THR A 87 10.259 -6.707 -22.107 1.00 51.35 N ATOM 1310 CA THR A 87 10.847 -8.032 -22.254 1.00 12.35 C ATOM 1311 C THR A 87 9.791 -9.121 -22.103 1.00 61.43 C ATOM 1312 O THR A 87 9.092 -9.185 -21.091 1.00 31.22 O ATOM 1313 CB THR A 87 11.965 -8.269 -21.222 1.00 63.14 C ATOM 1314 OG1 THR A 87 11.565 -7.765 -19.942 1.00 15.32 O ATOM 1315 CG2 THR A 87 13.257 -7.594 -21.657 1.00 22.23 C ATOM 0 H THR A 87 9.838 -6.532 -21.195 1.00 51.35 H new ATOM 0 HA THR A 87 11.273 -8.079 -23.256 1.00 12.35 H new ATOM 0 HB THR A 87 12.141 -9.342 -21.151 1.00 63.14 H new ATOM 0 HG1 THR A 87 10.638 -8.027 -19.762 1.00 15.32 H new ATOM 0 HG21 THR A 87 14.031 -7.776 -20.912 1.00 22.23 H new ATOM 0 HG22 THR A 87 13.575 -8.001 -22.617 1.00 22.23 H new ATOM 0 HG23 THR A 87 13.092 -6.521 -21.754 1.00 22.23 H new ATOM 1323 N LEU A 88 9.681 -9.977 -23.113 1.00 2.41 N ATOM 1324 CA LEU A 88 8.710 -11.065 -23.092 1.00 51.12 C ATOM 1325 C LEU A 88 9.377 -12.382 -22.709 1.00 73.23 C ATOM 1326 O LEU A 88 10.509 -12.658 -23.109 1.00 5.22 O ATOM 1327 CB LEU A 88 8.037 -11.200 -24.459 1.00 62.11 C ATOM 1328 CG LEU A 88 7.978 -12.613 -25.041 1.00 60.32 C ATOM 1329 CD1 LEU A 88 6.681 -12.821 -25.807 1.00 23.31 C ATOM 1330 CD2 LEU A 88 9.178 -12.869 -25.942 1.00 52.44 C ATOM 0 H LEU A 88 10.253 -9.938 -23.957 1.00 2.41 H new ATOM 0 HA LEU A 88 7.954 -10.830 -22.343 1.00 51.12 H new ATOM 0 HB2 LEU A 88 7.019 -10.818 -24.380 1.00 62.11 H new ATOM 0 HB3 LEU A 88 8.564 -10.559 -25.166 1.00 62.11 H new ATOM 0 HG LEU A 88 8.008 -13.326 -24.217 1.00 60.32 H new ATOM 0 HD11 LEU A 88 6.657 -13.832 -26.214 1.00 23.31 H new ATOM 0 HD12 LEU A 88 5.835 -12.680 -25.135 1.00 23.31 H new ATOM 0 HD13 LEU A 88 6.620 -12.100 -26.622 1.00 23.31 H new ATOM 0 HD21 LEU A 88 9.120 -13.879 -26.347 1.00 52.44 H new ATOM 0 HD22 LEU A 88 9.179 -12.149 -26.760 1.00 52.44 H new ATOM 0 HD23 LEU A 88 10.096 -12.762 -25.364 1.00 52.44 H new ATOM 1342 N LYS A 89 8.669 -13.193 -21.931 1.00 21.05 N ATOM 1343 CA LYS A 89 9.189 -14.484 -21.495 1.00 23.01 C ATOM 1344 C LYS A 89 8.424 -15.629 -22.153 1.00 51.41 C ATOM 1345 O LYS A 89 9.023 -16.568 -22.679 1.00 52.41 O ATOM 1346 CB LYS A 89 9.100 -14.605 -19.973 1.00 61.23 C ATOM 1347 CG LYS A 89 10.453 -14.693 -19.289 1.00 15.30 C ATOM 1348 CD LYS A 89 10.369 -15.464 -17.983 1.00 73.53 C ATOM 1349 CE LYS A 89 11.158 -14.779 -16.878 1.00 12.42 C ATOM 1350 NZ LYS A 89 12.508 -15.382 -16.703 1.00 73.21 N ATOM 0 H LYS A 89 7.732 -12.979 -21.589 1.00 21.05 H new ATOM 0 HA LYS A 89 10.234 -14.548 -21.797 1.00 23.01 H new ATOM 0 HB2 LYS A 89 8.559 -13.744 -19.580 1.00 61.23 H new ATOM 0 HB3 LYS A 89 8.517 -15.491 -19.721 1.00 61.23 H new ATOM 0 HG2 LYS A 89 11.167 -15.179 -19.954 1.00 15.30 H new ATOM 0 HG3 LYS A 89 10.830 -13.689 -19.096 1.00 15.30 H new ATOM 0 HD2 LYS A 89 9.326 -15.558 -17.682 1.00 73.53 H new ATOM 0 HD3 LYS A 89 10.750 -16.474 -18.131 1.00 73.53 H new ATOM 0 HE2 LYS A 89 11.261 -13.719 -17.110 1.00 12.42 H new ATOM 0 HE3 LYS A 89 10.605 -14.848 -15.941 1.00 12.42 H new ATOM 0 HZ1 LYS A 89 13.013 -14.887 -15.941 1.00 73.21 H new ATOM 0 HZ2 LYS A 89 12.410 -16.388 -16.457 1.00 73.21 H new ATOM 0 HZ3 LYS A 89 13.045 -15.293 -17.589 1.00 73.21 H new ATOM 1364 N LYS A 90 7.099 -15.544 -22.120 1.00 63.32 N ATOM 1365 CA LYS A 90 6.252 -16.572 -22.715 1.00 31.02 C ATOM 1366 C LYS A 90 6.123 -16.366 -24.221 1.00 63.24 C ATOM 1367 O LYS A 90 5.740 -15.290 -24.679 1.00 64.23 O ATOM 1368 CB LYS A 90 4.865 -16.557 -22.067 1.00 71.14 C ATOM 1369 CG LYS A 90 4.093 -17.851 -22.253 1.00 30.14 C ATOM 1370 CD LYS A 90 3.410 -18.284 -20.967 1.00 41.14 C ATOM 1371 CE LYS A 90 1.925 -18.533 -21.181 1.00 52.15 C ATOM 1372 NZ LYS A 90 1.099 -17.376 -20.736 1.00 0.30 N ATOM 0 H LYS A 90 6.588 -14.774 -21.688 1.00 63.32 H new ATOM 0 HA LYS A 90 6.719 -17.541 -22.537 1.00 31.02 H new ATOM 0 HB2 LYS A 90 4.974 -16.359 -21.001 1.00 71.14 H new ATOM 0 HB3 LYS A 90 4.286 -15.735 -22.487 1.00 71.14 H new ATOM 0 HG2 LYS A 90 3.346 -17.721 -23.036 1.00 30.14 H new ATOM 0 HG3 LYS A 90 4.772 -18.636 -22.587 1.00 30.14 H new ATOM 0 HD2 LYS A 90 3.882 -19.192 -20.591 1.00 41.14 H new ATOM 0 HD3 LYS A 90 3.545 -17.516 -20.206 1.00 41.14 H new ATOM 0 HE2 LYS A 90 1.738 -18.728 -22.237 1.00 52.15 H new ATOM 0 HE3 LYS A 90 1.624 -19.426 -20.634 1.00 52.15 H new ATOM 0 HZ1 LYS A 90 0.093 -17.585 -20.898 1.00 0.30 H new ATOM 0 HZ2 LYS A 90 1.258 -17.205 -19.722 1.00 0.30 H new ATOM 0 HZ3 LYS A 90 1.368 -16.529 -21.276 1.00 0.30 H new ATOM 1386 N ALA A 91 6.444 -17.405 -24.985 1.00 62.10 N ATOM 1387 CA ALA A 91 6.361 -17.338 -26.439 1.00 63.03 C ATOM 1388 C ALA A 91 5.439 -18.424 -26.986 1.00 41.52 C ATOM 1389 O ALA A 91 5.796 -19.602 -27.007 1.00 15.04 O ATOM 1390 CB ALA A 91 7.747 -17.460 -27.053 1.00 70.52 C ATOM 0 H ALA A 91 6.764 -18.303 -24.621 1.00 62.10 H new ATOM 0 HA ALA A 91 5.940 -16.370 -26.711 1.00 63.03 H new ATOM 0 HB1 ALA A 91 7.670 -17.408 -28.139 1.00 70.52 H new ATOM 0 HB2 ALA A 91 8.377 -16.645 -26.695 1.00 70.52 H new ATOM 0 HB3 ALA A 91 8.190 -18.414 -26.766 1.00 70.52 H new ATOM 1396 N LEU A 92 4.253 -18.019 -27.426 1.00 70.13 N ATOM 1397 CA LEU A 92 3.279 -18.957 -27.973 1.00 33.43 C ATOM 1398 C LEU A 92 3.165 -18.803 -29.486 1.00 22.43 C ATOM 1399 O LEU A 92 3.561 -19.690 -30.244 1.00 53.45 O ATOM 1400 CB LEU A 92 1.912 -18.743 -27.322 1.00 54.50 C ATOM 1401 CG LEU A 92 1.910 -18.595 -25.800 1.00 25.32 C ATOM 1402 CD1 LEU A 92 0.611 -17.959 -25.328 1.00 54.35 C ATOM 1403 CD2 LEU A 92 2.118 -19.946 -25.133 1.00 62.12 C ATOM 0 H LEU A 92 3.943 -17.047 -27.415 1.00 70.13 H new ATOM 0 HA LEU A 92 3.623 -19.968 -27.754 1.00 33.43 H new ATOM 0 HB2 LEU A 92 1.462 -17.850 -27.755 1.00 54.50 H new ATOM 0 HB3 LEU A 92 1.270 -19.583 -27.586 1.00 54.50 H new ATOM 0 HG LEU A 92 2.735 -17.942 -25.516 1.00 25.32 H new ATOM 0 HD11 LEU A 92 0.627 -17.861 -24.242 1.00 54.35 H new ATOM 0 HD12 LEU A 92 0.504 -16.973 -25.779 1.00 54.35 H new ATOM 0 HD13 LEU A 92 -0.230 -18.587 -25.623 1.00 54.35 H new ATOM 0 HD21 LEU A 92 2.114 -19.822 -24.050 1.00 62.12 H new ATOM 0 HD22 LEU A 92 1.315 -20.623 -25.424 1.00 62.12 H new ATOM 0 HD23 LEU A 92 3.075 -20.363 -25.447 1.00 62.12 H new ATOM 1415 N PHE A 93 2.620 -17.671 -29.920 1.00 73.12 N ATOM 1416 CA PHE A 93 2.454 -17.400 -31.343 1.00 12.33 C ATOM 1417 C PHE A 93 3.771 -17.591 -32.091 1.00 23.42 C ATOM 1418 O PHE A 93 4.799 -17.030 -31.715 1.00 4.52 O ATOM 1419 CB PHE A 93 1.938 -15.975 -31.555 1.00 33.31 C ATOM 1420 CG PHE A 93 1.430 -15.722 -32.946 1.00 31.21 C ATOM 1421 CD1 PHE A 93 0.329 -16.410 -33.432 1.00 52.31 C ATOM 1422 CD2 PHE A 93 2.053 -14.797 -33.768 1.00 74.04 C ATOM 1423 CE1 PHE A 93 -0.141 -16.180 -34.711 1.00 53.51 C ATOM 1424 CE2 PHE A 93 1.588 -14.562 -35.048 1.00 21.40 C ATOM 1425 CZ PHE A 93 0.491 -15.255 -35.521 1.00 3.12 C ATOM 0 H PHE A 93 2.286 -16.927 -29.307 1.00 73.12 H new ATOM 0 HA PHE A 93 1.725 -18.107 -31.739 1.00 12.33 H new ATOM 0 HB2 PHE A 93 1.137 -15.778 -30.843 1.00 33.31 H new ATOM 0 HB3 PHE A 93 2.740 -15.270 -31.336 1.00 33.31 H new ATOM 0 HD1 PHE A 93 -0.167 -17.134 -32.803 1.00 52.31 H new ATOM 0 HD2 PHE A 93 2.912 -14.253 -33.404 1.00 74.04 H new ATOM 0 HE1 PHE A 93 -1.000 -16.722 -35.077 1.00 53.51 H new ATOM 0 HE2 PHE A 93 2.082 -13.837 -35.678 1.00 21.40 H new ATOM 0 HZ PHE A 93 0.128 -15.075 -36.522 1.00 3.12 H new ATOM 1435 N ASN A 94 3.731 -18.391 -33.152 1.00 61.51 N ATOM 1436 CA ASN A 94 4.920 -18.659 -33.953 1.00 52.11 C ATOM 1437 C ASN A 94 5.983 -19.376 -33.125 1.00 44.34 C ATOM 1438 O ASN A 94 5.828 -19.551 -31.916 1.00 34.44 O ATOM 1439 CB ASN A 94 5.489 -17.353 -34.512 1.00 24.45 C ATOM 1440 CG ASN A 94 5.983 -17.503 -35.939 1.00 42.25 C ATOM 1441 OD1 ASN A 94 6.506 -18.551 -36.319 1.00 4.13 O ATOM 1442 ND2 ASN A 94 5.819 -16.453 -36.735 1.00 74.15 N ATOM 0 H ASN A 94 2.888 -18.865 -33.477 1.00 61.51 H new ATOM 0 HA ASN A 94 4.631 -19.306 -34.781 1.00 52.11 H new ATOM 0 HB2 ASN A 94 4.721 -16.580 -34.475 1.00 24.45 H new ATOM 0 HB3 ASN A 94 6.310 -17.017 -33.879 1.00 24.45 H new ATOM 0 HD21 ASN A 94 6.132 -16.495 -37.705 1.00 74.15 H new ATOM 0 HD22 ASN A 94 5.380 -15.605 -36.377 1.00 74.15 H new ATOM 1449 N ALA A 95 7.061 -19.786 -33.784 1.00 71.41 N ATOM 1450 CA ALA A 95 8.150 -20.481 -33.109 1.00 32.43 C ATOM 1451 C ALA A 95 8.637 -19.693 -31.899 1.00 64.41 C ATOM 1452 O ALA A 95 9.129 -20.270 -30.929 1.00 24.44 O ATOM 1453 CB ALA A 95 9.298 -20.728 -34.077 1.00 72.31 C ATOM 0 H ALA A 95 7.204 -19.649 -34.785 1.00 71.41 H new ATOM 0 HA ALA A 95 7.773 -21.441 -32.757 1.00 32.43 H new ATOM 0 HB1 ALA A 95 10.105 -21.248 -33.560 1.00 72.31 H new ATOM 0 HB2 ALA A 95 8.947 -21.339 -34.909 1.00 72.31 H new ATOM 0 HB3 ALA A 95 9.665 -19.775 -34.457 1.00 72.31 H new ATOM 1459 N GLU A 96 8.497 -18.372 -31.961 1.00 30.44 N ATOM 1460 CA GLU A 96 8.925 -17.506 -30.869 1.00 22.31 C ATOM 1461 C GLU A 96 8.591 -16.048 -31.169 1.00 1.14 C ATOM 1462 O GLU A 96 8.561 -15.631 -32.327 1.00 32.24 O ATOM 1463 CB GLU A 96 10.428 -17.658 -30.628 1.00 64.12 C ATOM 1464 CG GLU A 96 11.266 -17.496 -31.885 1.00 32.23 C ATOM 1465 CD GLU A 96 12.693 -17.082 -31.585 1.00 34.13 C ATOM 1466 OE1 GLU A 96 12.883 -16.066 -30.886 1.00 64.32 O ATOM 1467 OE2 GLU A 96 13.622 -17.776 -32.051 1.00 60.23 O ATOM 0 H GLU A 96 8.091 -17.879 -32.756 1.00 30.44 H new ATOM 0 HA GLU A 96 8.388 -17.806 -29.969 1.00 22.31 H new ATOM 0 HB2 GLU A 96 10.746 -16.919 -29.892 1.00 64.12 H new ATOM 0 HB3 GLU A 96 10.621 -18.641 -30.197 1.00 64.12 H new ATOM 0 HG2 GLU A 96 11.273 -18.436 -32.436 1.00 32.23 H new ATOM 0 HG3 GLU A 96 10.804 -16.750 -32.532 1.00 32.23 H new ATOM 1474 N CYS A 97 8.340 -15.277 -30.117 1.00 42.40 N ATOM 1475 CA CYS A 97 8.007 -13.865 -30.265 1.00 64.41 C ATOM 1476 C CYS A 97 9.205 -12.985 -29.925 1.00 72.24 C ATOM 1477 O CYS A 97 10.171 -13.443 -29.315 1.00 31.32 O ATOM 1478 CB CYS A 97 6.822 -13.502 -29.366 1.00 74.34 C ATOM 1479 SG CYS A 97 5.569 -14.816 -29.221 1.00 1.24 S ATOM 0 H CYS A 97 8.361 -15.606 -29.152 1.00 42.40 H new ATOM 0 HA CYS A 97 7.733 -13.689 -31.305 1.00 64.41 H new ATOM 0 HB2 CYS A 97 7.195 -13.259 -28.371 1.00 74.34 H new ATOM 0 HB3 CYS A 97 6.346 -12.602 -29.756 1.00 74.34 H new ATOM 1485 N GLN A 98 9.135 -11.719 -30.323 1.00 50.43 N ATOM 1486 CA GLN A 98 10.215 -10.775 -30.061 1.00 13.04 C ATOM 1487 C GLN A 98 10.447 -10.615 -28.562 1.00 30.45 C ATOM 1488 O GLN A 98 9.558 -10.182 -27.828 1.00 40.43 O ATOM 1489 CB GLN A 98 9.896 -9.416 -30.687 1.00 30.52 C ATOM 1490 CG GLN A 98 8.526 -8.877 -30.306 1.00 13.43 C ATOM 1491 CD GLN A 98 7.689 -8.507 -31.514 1.00 23.45 C ATOM 1492 OE1 GLN A 98 8.201 -7.983 -32.504 1.00 40.52 O ATOM 1493 NE2 GLN A 98 6.390 -8.779 -31.441 1.00 53.15 N ATOM 0 H GLN A 98 8.342 -11.323 -30.828 1.00 50.43 H new ATOM 0 HA GLN A 98 11.126 -11.170 -30.511 1.00 13.04 H new ATOM 0 HB2 GLN A 98 10.657 -8.698 -30.383 1.00 30.52 H new ATOM 0 HB3 GLN A 98 9.954 -9.502 -31.772 1.00 30.52 H new ATOM 0 HG2 GLN A 98 7.996 -9.625 -29.717 1.00 13.43 H new ATOM 0 HG3 GLN A 98 8.649 -8.000 -29.671 1.00 13.43 H new ATOM 0 HE21 GLN A 98 6.006 -9.214 -30.602 1.00 53.15 H new ATOM 0 HE22 GLN A 98 5.777 -8.553 -32.224 1.00 53.15 H new ATOM 1502 N THR A 99 11.647 -10.969 -28.113 1.00 52.41 N ATOM 1503 CA THR A 99 11.994 -10.866 -26.701 1.00 55.33 C ATOM 1504 C THR A 99 12.149 -9.410 -26.278 1.00 45.34 C ATOM 1505 O THR A 99 12.297 -9.110 -25.092 1.00 41.31 O ATOM 1506 CB THR A 99 13.301 -11.621 -26.389 1.00 23.22 C ATOM 1507 OG1 THR A 99 14.069 -11.789 -27.586 1.00 43.11 O ATOM 1508 CG2 THR A 99 13.007 -12.980 -25.774 1.00 21.31 C ATOM 0 H THR A 99 12.394 -11.329 -28.706 1.00 52.41 H new ATOM 0 HA THR A 99 11.177 -11.319 -26.140 1.00 55.33 H new ATOM 0 HB THR A 99 13.872 -11.031 -25.672 1.00 23.22 H new ATOM 0 HG1 THR A 99 14.898 -12.268 -27.378 1.00 43.11 H new ATOM 0 HG21 THR A 99 13.945 -13.494 -25.563 1.00 21.31 H new ATOM 0 HG22 THR A 99 12.449 -12.847 -24.847 1.00 21.31 H new ATOM 0 HG23 THR A 99 12.416 -13.575 -26.471 1.00 21.31 H new ATOM 1516 N THR A 100 12.112 -8.507 -27.252 1.00 71.31 N ATOM 1517 CA THR A 100 12.247 -7.082 -26.980 1.00 41.33 C ATOM 1518 C THR A 100 11.288 -6.265 -27.837 1.00 3.00 C ATOM 1519 O THR A 100 11.115 -6.539 -29.025 1.00 33.14 O ATOM 1520 CB THR A 100 13.687 -6.596 -27.235 1.00 43.32 C ATOM 1521 OG1 THR A 100 14.545 -7.715 -27.483 1.00 53.02 O ATOM 1522 CG2 THR A 100 14.209 -5.803 -26.045 1.00 33.54 C ATOM 0 H THR A 100 11.989 -8.738 -28.238 1.00 71.31 H new ATOM 0 HA THR A 100 12.003 -6.936 -25.928 1.00 41.33 H new ATOM 0 HB THR A 100 13.678 -5.945 -28.109 1.00 43.32 H new ATOM 0 HG1 THR A 100 15.458 -7.398 -27.646 1.00 53.02 H new ATOM 0 HG21 THR A 100 15.227 -5.470 -26.248 1.00 33.54 H new ATOM 0 HG22 THR A 100 13.570 -4.936 -25.877 1.00 33.54 H new ATOM 0 HG23 THR A 100 14.204 -6.434 -25.157 1.00 33.54 H new ATOM 1530 N ILE A 101 10.668 -5.260 -27.228 1.00 20.14 N ATOM 1531 CA ILE A 101 9.726 -4.401 -27.937 1.00 72.42 C ATOM 1532 C ILE A 101 10.242 -2.969 -28.018 1.00 43.45 C ATOM 1533 O ILE A 101 10.798 -2.442 -27.053 1.00 75.13 O ATOM 1534 CB ILE A 101 8.344 -4.401 -27.259 1.00 40.22 C ATOM 1535 CG1 ILE A 101 8.362 -5.290 -26.014 1.00 71.05 C ATOM 1536 CG2 ILE A 101 7.275 -4.868 -28.235 1.00 25.23 C ATOM 1537 CD1 ILE A 101 7.034 -5.347 -25.294 1.00 65.30 C ATOM 0 H ILE A 101 10.801 -5.020 -26.246 1.00 20.14 H new ATOM 0 HA ILE A 101 9.626 -4.805 -28.944 1.00 72.42 H new ATOM 0 HB ILE A 101 8.107 -3.383 -26.951 1.00 40.22 H new ATOM 0 HG12 ILE A 101 8.653 -6.300 -26.303 1.00 71.05 H new ATOM 0 HG13 ILE A 101 9.124 -4.923 -25.326 1.00 71.05 H new ATOM 0 HG21 ILE A 101 6.304 -4.862 -27.741 1.00 25.23 H new ATOM 0 HG22 ILE A 101 7.249 -4.198 -29.094 1.00 25.23 H new ATOM 0 HG23 ILE A 101 7.506 -5.879 -28.571 1.00 25.23 H new ATOM 0 HD11 ILE A 101 7.120 -5.995 -24.422 1.00 65.30 H new ATOM 0 HD12 ILE A 101 6.750 -4.344 -24.974 1.00 65.30 H new ATOM 0 HD13 ILE A 101 6.272 -5.743 -25.966 1.00 65.30 H new ATOM 1549 N LYS A 102 10.052 -2.341 -29.173 1.00 34.22 N ATOM 1550 CA LYS A 102 10.495 -0.968 -29.380 1.00 55.31 C ATOM 1551 C LYS A 102 9.318 -0.063 -29.733 1.00 63.42 C ATOM 1552 O LYS A 102 8.952 0.069 -30.901 1.00 40.12 O ATOM 1553 CB LYS A 102 11.546 -0.910 -30.490 1.00 73.31 C ATOM 1554 CG LYS A 102 12.518 0.248 -30.348 1.00 15.44 C ATOM 1555 CD LYS A 102 13.621 -0.067 -29.353 1.00 71.51 C ATOM 1556 CE LYS A 102 14.164 1.196 -28.703 1.00 55.35 C ATOM 1557 NZ LYS A 102 13.839 1.257 -27.251 1.00 11.11 N ATOM 0 H LYS A 102 9.593 -2.762 -29.981 1.00 34.22 H new ATOM 0 HA LYS A 102 10.938 -0.613 -28.450 1.00 55.31 H new ATOM 0 HB2 LYS A 102 12.106 -1.845 -30.497 1.00 73.31 H new ATOM 0 HB3 LYS A 102 11.041 -0.834 -31.453 1.00 73.31 H new ATOM 0 HG2 LYS A 102 12.957 0.476 -31.319 1.00 15.44 H new ATOM 0 HG3 LYS A 102 11.979 1.139 -30.025 1.00 15.44 H new ATOM 0 HD2 LYS A 102 13.238 -0.737 -28.584 1.00 71.51 H new ATOM 0 HD3 LYS A 102 14.430 -0.593 -29.860 1.00 71.51 H new ATOM 0 HE2 LYS A 102 15.245 1.236 -28.835 1.00 55.35 H new ATOM 0 HE3 LYS A 102 13.749 2.070 -29.205 1.00 55.35 H new ATOM 0 HZ1 LYS A 102 14.226 2.133 -26.845 1.00 11.11 H new ATOM 0 HZ2 LYS A 102 12.807 1.244 -27.125 1.00 11.11 H new ATOM 0 HZ3 LYS A 102 14.257 0.437 -26.767 1.00 11.11 H new ATOM 1571 N VAL A 103 8.729 0.557 -28.716 1.00 25.02 N ATOM 1572 CA VAL A 103 7.595 1.450 -28.919 1.00 44.40 C ATOM 1573 C VAL A 103 7.987 2.903 -28.669 1.00 32.14 C ATOM 1574 O VAL A 103 8.953 3.182 -27.959 1.00 13.04 O ATOM 1575 CB VAL A 103 6.418 1.082 -27.996 1.00 25.14 C ATOM 1576 CG1 VAL A 103 5.661 -0.117 -28.548 1.00 43.10 C ATOM 1577 CG2 VAL A 103 6.914 0.807 -26.585 1.00 43.12 C ATOM 0 H VAL A 103 9.018 0.457 -27.743 1.00 25.02 H new ATOM 0 HA VAL A 103 7.283 1.334 -29.957 1.00 44.40 H new ATOM 0 HB VAL A 103 5.731 1.928 -27.956 1.00 25.14 H new ATOM 0 HG11 VAL A 103 4.833 -0.362 -27.883 1.00 43.10 H new ATOM 0 HG12 VAL A 103 5.272 0.122 -29.538 1.00 43.10 H new ATOM 0 HG13 VAL A 103 6.334 -0.971 -28.619 1.00 43.10 H new ATOM 0 HG21 VAL A 103 6.069 0.549 -25.946 1.00 43.12 H new ATOM 0 HG22 VAL A 103 7.622 -0.022 -26.603 1.00 43.12 H new ATOM 0 HG23 VAL A 103 7.407 1.697 -26.193 1.00 43.12 H new ATOM 1587 N SER A 104 7.230 3.824 -29.258 1.00 73.14 N ATOM 1588 CA SER A 104 7.500 5.248 -29.102 1.00 71.42 C ATOM 1589 C SER A 104 6.207 6.055 -29.155 1.00 53.43 C ATOM 1590 O SER A 104 5.238 5.657 -29.803 1.00 14.42 O ATOM 1591 CB SER A 104 8.461 5.729 -30.192 1.00 65.31 C ATOM 1592 OG SER A 104 9.412 4.729 -30.510 1.00 54.35 O ATOM 0 H SER A 104 6.426 3.609 -29.847 1.00 73.14 H new ATOM 0 HA SER A 104 7.963 5.400 -28.127 1.00 71.42 H new ATOM 0 HB2 SER A 104 7.898 5.997 -31.086 1.00 65.31 H new ATOM 0 HB3 SER A 104 8.974 6.630 -29.857 1.00 65.31 H new ATOM 0 HG SER A 104 10.013 5.060 -31.210 1.00 54.35 H new ATOM 1598 N LYS A 105 6.199 7.193 -28.469 1.00 5.40 N ATOM 1599 CA LYS A 105 5.026 8.060 -28.437 1.00 20.30 C ATOM 1600 C LYS A 105 5.431 9.516 -28.237 1.00 41.03 C ATOM 1601 O LYS A 105 6.003 9.892 -27.213 1.00 32.32 O ATOM 1602 CB LYS A 105 4.076 7.625 -27.319 1.00 25.13 C ATOM 1603 CG LYS A 105 2.772 8.404 -27.293 1.00 42.04 C ATOM 1604 CD LYS A 105 1.832 7.881 -26.219 1.00 4.44 C ATOM 1605 CE LYS A 105 0.435 7.639 -26.772 1.00 43.23 C ATOM 1606 NZ LYS A 105 -0.622 8.020 -25.793 1.00 73.43 N ATOM 0 H LYS A 105 6.992 7.537 -27.927 1.00 5.40 H new ATOM 0 HA LYS A 105 4.514 7.973 -29.395 1.00 20.30 H new ATOM 0 HB2 LYS A 105 3.854 6.564 -27.434 1.00 25.13 H new ATOM 0 HB3 LYS A 105 4.579 7.743 -26.359 1.00 25.13 H new ATOM 0 HG2 LYS A 105 2.981 9.459 -27.113 1.00 42.04 H new ATOM 0 HG3 LYS A 105 2.287 8.336 -28.267 1.00 42.04 H new ATOM 0 HD2 LYS A 105 2.228 6.952 -25.808 1.00 4.44 H new ATOM 0 HD3 LYS A 105 1.781 8.597 -25.398 1.00 4.44 H new ATOM 0 HE2 LYS A 105 0.303 8.212 -27.690 1.00 43.23 H new ATOM 0 HE3 LYS A 105 0.325 6.587 -27.034 1.00 43.23 H new ATOM 0 HZ1 LYS A 105 -1.559 7.840 -26.207 1.00 73.43 H new ATOM 0 HZ2 LYS A 105 -0.512 7.456 -24.926 1.00 73.43 H new ATOM 0 HZ3 LYS A 105 -0.533 9.030 -25.562 1.00 73.43 H new ATOM 1620 N PRO A 106 5.129 10.359 -29.236 1.00 23.23 N ATOM 1621 CA PRO A 106 5.450 11.788 -29.191 1.00 74.01 C ATOM 1622 C PRO A 106 4.605 12.541 -28.169 1.00 72.03 C ATOM 1623 O PRO A 106 3.377 12.453 -28.178 1.00 42.42 O ATOM 1624 CB PRO A 106 5.128 12.268 -30.608 1.00 14.33 C ATOM 1625 CG PRO A 106 4.110 11.305 -31.113 1.00 33.42 C ATOM 1626 CD PRO A 106 4.447 9.980 -30.485 1.00 15.51 C ATOM 0 HA PRO A 106 6.483 11.964 -28.890 1.00 74.01 H new ATOM 0 HB2 PRO A 106 4.740 13.287 -30.602 1.00 14.33 H new ATOM 0 HB3 PRO A 106 6.018 12.269 -31.237 1.00 14.33 H new ATOM 0 HG2 PRO A 106 3.104 11.622 -30.840 1.00 33.42 H new ATOM 0 HG3 PRO A 106 4.140 11.240 -32.201 1.00 33.42 H new ATOM 0 HD2 PRO A 106 3.553 9.388 -30.291 1.00 15.51 H new ATOM 0 HD3 PRO A 106 5.091 9.382 -31.129 1.00 15.51 H new ATOM 1634 N CYS A 107 5.271 13.281 -27.289 1.00 45.34 N ATOM 1635 CA CYS A 107 4.582 14.050 -26.260 1.00 40.33 C ATOM 1636 C CYS A 107 5.306 15.365 -25.987 1.00 71.32 C ATOM 1637 O CYS A 107 6.494 15.506 -26.281 1.00 43.42 O ATOM 1638 CB CYS A 107 4.477 13.235 -24.969 1.00 54.53 C ATOM 1639 SG CYS A 107 5.960 13.321 -23.913 1.00 11.34 S ATOM 0 H CYS A 107 6.287 13.364 -27.268 1.00 45.34 H new ATOM 0 HA CYS A 107 3.579 14.276 -26.622 1.00 40.33 H new ATOM 0 HB2 CYS A 107 3.617 13.587 -24.399 1.00 54.53 H new ATOM 0 HB3 CYS A 107 4.286 12.193 -25.224 1.00 54.53 H new ATOM 1645 N THR A 108 4.582 16.327 -25.421 1.00 11.15 N ATOM 1646 CA THR A 108 5.154 17.631 -25.110 1.00 62.35 C ATOM 1647 C THR A 108 5.358 17.796 -23.608 1.00 61.31 C ATOM 1648 O THR A 108 4.475 17.507 -22.801 1.00 24.20 O ATOM 1649 CB THR A 108 4.260 18.774 -25.623 1.00 30.23 C ATOM 1650 OG1 THR A 108 3.481 18.323 -26.738 1.00 44.02 O ATOM 1651 CG2 THR A 108 5.099 19.973 -26.037 1.00 11.12 C ATOM 0 H THR A 108 3.599 16.227 -25.169 1.00 11.15 H new ATOM 0 HA THR A 108 6.119 17.681 -25.614 1.00 62.35 H new ATOM 0 HB THR A 108 3.596 19.077 -24.814 1.00 30.23 H new ATOM 0 HG1 THR A 108 2.913 19.055 -27.058 1.00 44.02 H new ATOM 0 HG21 THR A 108 4.445 20.768 -26.396 1.00 11.12 H new ATOM 0 HG22 THR A 108 5.669 20.331 -25.180 1.00 11.12 H new ATOM 0 HG23 THR A 108 5.785 19.680 -26.832 1.00 11.12 H new