USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 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 -7:sc= 0.659 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= -1.01 K(o=-1,f=-2.1) 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=-0.012) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.974 X(o=-0.97,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= -1.03 X(o=-1,f=-1.5!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.959 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= -0.179 (180deg=-0.179) USER MOD Single : A 49 THR OG1 : rot 85:sc= 0.0553 USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.421) 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 -66:sc= 0.82 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 128:sc= 0.117 USER MOD Single : A 83 SER OG : rot 180:sc= -0.117 USER MOD Single : A 85 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.58) USER MOD Single : A 99 THR OG1 : rot -36:sc= 0.749 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= -0.161 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 8.056 12.065 -56.570 1.00 54.03 N ATOM 269 CA CYS A 18 7.424 12.280 -55.274 1.00 30.24 C ATOM 270 C CYS A 18 7.565 11.045 -54.388 1.00 75.10 C ATOM 271 O CYS A 18 6.791 10.096 -54.500 1.00 64.31 O ATOM 272 CB CYS A 18 5.943 12.622 -55.457 1.00 74.24 C ATOM 273 SG CYS A 18 5.329 13.898 -54.311 1.00 72.24 S ATOM 0 HA CYS A 18 7.927 13.115 -54.786 1.00 30.24 H new ATOM 0 HB2 CYS A 18 5.783 12.960 -56.481 1.00 74.24 H new ATOM 0 HB3 CYS A 18 5.352 11.715 -55.325 1.00 74.24 H new ATOM 279 N SER A 19 8.562 11.066 -53.508 1.00 2.55 N ATOM 280 CA SER A 19 8.809 9.948 -52.606 1.00 42.51 C ATOM 281 C SER A 19 7.952 10.067 -51.349 1.00 72.33 C ATOM 282 O SER A 19 7.577 9.062 -50.745 1.00 4.31 O ATOM 283 CB SER A 19 10.289 9.891 -52.224 1.00 22.32 C ATOM 284 OG SER A 19 10.742 8.550 -52.143 1.00 14.53 O ATOM 0 H SER A 19 9.211 11.845 -53.401 1.00 2.55 H new ATOM 0 HA SER A 19 8.539 9.028 -53.124 1.00 42.51 H new ATOM 0 HB2 SER A 19 10.880 10.434 -52.962 1.00 22.32 H new ATOM 0 HB3 SER A 19 10.440 10.388 -51.266 1.00 22.32 H new ATOM 0 HG SER A 19 11.691 8.539 -51.899 1.00 14.53 H new ATOM 290 N GLU A 20 7.649 11.301 -50.961 1.00 3.12 N ATOM 291 CA GLU A 20 6.837 11.552 -49.775 1.00 61.42 C ATOM 292 C GLU A 20 5.367 11.719 -50.147 1.00 23.33 C ATOM 293 O GLU A 20 4.883 12.837 -50.317 1.00 4.35 O ATOM 294 CB GLU A 20 7.334 12.800 -49.043 1.00 33.45 C ATOM 295 CG GLU A 20 8.341 12.501 -47.946 1.00 61.23 C ATOM 296 CD GLU A 20 7.765 11.628 -46.848 1.00 54.14 C ATOM 297 OE1 GLU A 20 7.011 12.157 -46.004 1.00 52.31 O ATOM 298 OE2 GLU A 20 8.069 10.417 -46.831 1.00 41.11 O ATOM 0 H GLU A 20 7.953 12.143 -51.450 1.00 3.12 H new ATOM 0 HA GLU A 20 6.931 10.691 -49.114 1.00 61.42 H new ATOM 0 HB2 GLU A 20 7.787 13.478 -49.766 1.00 33.45 H new ATOM 0 HB3 GLU A 20 6.480 13.321 -48.609 1.00 33.45 H new ATOM 0 HG2 GLU A 20 9.210 12.006 -48.380 1.00 61.23 H new ATOM 0 HG3 GLU A 20 8.691 13.438 -47.514 1.00 61.23 H new ATOM 305 N TRP A 21 4.663 10.598 -50.271 1.00 15.11 N ATOM 306 CA TRP A 21 3.248 10.620 -50.624 1.00 13.44 C ATOM 307 C TRP A 21 2.384 10.869 -49.393 1.00 53.01 C ATOM 308 O TRP A 21 2.195 9.977 -48.567 1.00 63.02 O ATOM 309 CB TRP A 21 2.847 9.301 -51.286 1.00 43.51 C ATOM 310 CG TRP A 21 2.887 9.351 -52.783 1.00 74.01 C ATOM 311 CD1 TRP A 21 4.002 9.421 -53.570 1.00 25.14 C ATOM 312 CD2 TRP A 21 1.765 9.336 -53.672 1.00 14.33 C ATOM 313 NE1 TRP A 21 3.640 9.451 -54.896 1.00 44.23 N ATOM 314 CE2 TRP A 21 2.273 9.400 -54.985 1.00 62.24 C ATOM 315 CE3 TRP A 21 0.382 9.274 -53.488 1.00 24.10 C ATOM 316 CZ2 TRP A 21 1.445 9.403 -56.104 1.00 63.43 C ATOM 317 CZ3 TRP A 21 -0.439 9.278 -54.600 1.00 51.02 C ATOM 318 CH2 TRP A 21 0.094 9.341 -55.893 1.00 5.25 C ATOM 0 H TRP A 21 5.049 9.664 -50.132 1.00 15.11 H new ATOM 0 HA TRP A 21 3.087 11.436 -51.329 1.00 13.44 H new ATOM 0 HB2 TRP A 21 3.513 8.511 -50.938 1.00 43.51 H new ATOM 0 HB3 TRP A 21 1.840 9.033 -50.965 1.00 43.51 H new ATOM 0 HD1 TRP A 21 5.018 9.449 -53.204 1.00 25.14 H new ATOM 0 HE1 TRP A 21 4.284 9.503 -55.685 1.00 44.23 H new ATOM 0 HE3 TRP A 21 -0.039 9.224 -52.495 1.00 24.10 H new ATOM 0 HZ2 TRP A 21 1.854 9.452 -57.102 1.00 63.43 H new ATOM 0 HZ3 TRP A 21 -1.510 9.232 -54.469 1.00 51.02 H new ATOM 0 HH2 TRP A 21 -0.574 9.341 -56.741 1.00 5.25 H new ATOM 329 N GLN A 22 1.864 12.087 -49.277 1.00 21.51 N ATOM 330 CA GLN A 22 1.020 12.452 -48.146 1.00 53.13 C ATOM 331 C GLN A 22 -0.215 11.560 -48.077 1.00 40.33 C ATOM 332 O GLN A 22 -1.210 11.808 -48.759 1.00 61.54 O ATOM 333 CB GLN A 22 0.600 13.919 -48.248 1.00 41.01 C ATOM 334 CG GLN A 22 0.070 14.306 -49.619 1.00 71.31 C ATOM 335 CD GLN A 22 0.896 15.393 -50.278 1.00 43.42 C ATOM 336 OE1 GLN A 22 2.068 15.192 -50.597 1.00 43.42 O ATOM 337 NE2 GLN A 22 0.286 16.555 -50.487 1.00 45.01 N ATOM 0 H GLN A 22 2.012 12.837 -49.952 1.00 21.51 H new ATOM 0 HA GLN A 22 1.599 12.310 -47.233 1.00 53.13 H new ATOM 0 HB2 GLN A 22 -0.167 14.121 -47.501 1.00 41.01 H new ATOM 0 HB3 GLN A 22 1.455 14.551 -48.006 1.00 41.01 H new ATOM 0 HG2 GLN A 22 0.057 13.425 -50.261 1.00 71.31 H new ATOM 0 HG3 GLN A 22 -0.961 14.646 -49.523 1.00 71.31 H new ATOM 0 HE21 GLN A 22 -0.687 16.678 -50.207 1.00 45.01 H new ATOM 0 HE22 GLN A 22 0.791 17.324 -50.928 1.00 45.01 H new ATOM 346 N TYR A 23 -0.144 10.522 -47.251 1.00 23.42 N ATOM 347 CA TYR A 23 -1.255 9.591 -47.096 1.00 45.12 C ATOM 348 C TYR A 23 -2.290 10.137 -46.116 1.00 11.24 C ATOM 349 O TYR A 23 -1.955 10.556 -45.010 1.00 74.30 O ATOM 350 CB TYR A 23 -0.747 8.232 -46.613 1.00 71.23 C ATOM 351 CG TYR A 23 0.274 7.605 -47.535 1.00 71.10 C ATOM 352 CD1 TYR A 23 0.038 7.507 -48.901 1.00 3.35 C ATOM 353 CD2 TYR A 23 1.474 7.109 -47.041 1.00 24.22 C ATOM 354 CE1 TYR A 23 0.967 6.935 -49.748 1.00 40.34 C ATOM 355 CE2 TYR A 23 2.410 6.536 -47.880 1.00 11.02 C ATOM 356 CZ TYR A 23 2.152 6.451 -49.232 1.00 63.00 C ATOM 357 OH TYR A 23 3.080 5.879 -50.071 1.00 35.02 O ATOM 0 H TYR A 23 0.672 10.304 -46.678 1.00 23.42 H new ATOM 0 HA TYR A 23 -1.731 9.468 -48.069 1.00 45.12 H new ATOM 0 HB2 TYR A 23 -0.307 8.349 -45.623 1.00 71.23 H new ATOM 0 HB3 TYR A 23 -1.594 7.554 -46.507 1.00 71.23 H new ATOM 0 HD1 TYR A 23 -0.888 7.885 -49.308 1.00 3.35 H new ATOM 0 HD2 TYR A 23 1.679 7.172 -45.982 1.00 24.22 H new ATOM 0 HE1 TYR A 23 0.767 6.867 -50.807 1.00 40.34 H new ATOM 0 HE2 TYR A 23 3.338 6.157 -47.479 1.00 11.02 H new ATOM 0 HH TYR A 23 3.858 5.591 -49.550 1.00 35.02 H new ATOM 367 N GLY A 24 -3.553 10.128 -46.533 1.00 23.42 N ATOM 368 CA GLY A 24 -4.619 10.623 -45.682 1.00 73.21 C ATOM 369 C GLY A 24 -5.068 9.598 -44.660 1.00 62.22 C ATOM 370 O GLY A 24 -4.612 8.454 -44.675 1.00 44.53 O ATOM 0 H GLY A 24 -3.856 9.787 -47.445 1.00 23.42 H new ATOM 0 HA2 GLY A 24 -4.280 11.522 -45.166 1.00 73.21 H new ATOM 0 HA3 GLY A 24 -5.469 10.912 -46.300 1.00 73.21 H new ATOM 374 N LYS A 25 -5.964 10.008 -43.768 1.00 60.44 N ATOM 375 CA LYS A 25 -6.476 9.117 -42.732 1.00 14.25 C ATOM 376 C LYS A 25 -7.158 7.901 -43.349 1.00 34.41 C ATOM 377 O LYS A 25 -7.599 7.939 -44.497 1.00 4.34 O ATOM 378 CB LYS A 25 -7.461 9.864 -41.831 1.00 55.53 C ATOM 379 CG LYS A 25 -8.837 10.042 -42.448 1.00 5.14 C ATOM 380 CD LYS A 25 -8.835 11.125 -43.514 1.00 23.10 C ATOM 381 CE LYS A 25 -8.828 10.531 -44.913 1.00 35.23 C ATOM 382 NZ LYS A 25 -9.656 11.328 -45.860 1.00 41.44 N ATOM 0 H LYS A 25 -6.351 10.951 -43.741 1.00 60.44 H new ATOM 0 HA LYS A 25 -5.632 8.774 -42.133 1.00 14.25 H new ATOM 0 HB2 LYS A 25 -7.561 9.323 -40.890 1.00 55.53 H new ATOM 0 HB3 LYS A 25 -7.050 10.845 -41.592 1.00 55.53 H new ATOM 0 HG2 LYS A 25 -9.165 9.099 -42.886 1.00 5.14 H new ATOM 0 HG3 LYS A 25 -9.555 10.298 -41.669 1.00 5.14 H new ATOM 0 HD2 LYS A 25 -9.713 11.759 -43.391 1.00 23.10 H new ATOM 0 HD3 LYS A 25 -7.961 11.763 -43.384 1.00 23.10 H new ATOM 0 HE2 LYS A 25 -7.803 10.481 -45.281 1.00 35.23 H new ATOM 0 HE3 LYS A 25 -9.203 9.508 -44.875 1.00 35.23 H new ATOM 0 HZ1 LYS A 25 -9.625 10.889 -46.802 1.00 41.44 H new ATOM 0 HZ2 LYS A 25 -10.640 11.355 -45.523 1.00 41.44 H new ATOM 0 HZ3 LYS A 25 -9.283 12.297 -45.917 1.00 41.44 H new ATOM 396 N CYS A 26 -7.239 6.821 -42.579 1.00 42.11 N ATOM 397 CA CYS A 26 -7.868 5.592 -43.049 1.00 32.52 C ATOM 398 C CYS A 26 -9.253 5.421 -42.434 1.00 64.34 C ATOM 399 O CYS A 26 -9.386 5.160 -41.238 1.00 53.45 O ATOM 400 CB CYS A 26 -6.993 4.384 -42.707 1.00 14.13 C ATOM 401 SG CYS A 26 -5.347 4.413 -43.488 1.00 4.05 S ATOM 0 H CYS A 26 -6.877 6.772 -41.627 1.00 42.11 H new ATOM 0 HA CYS A 26 -7.976 5.659 -44.132 1.00 32.52 H new ATOM 0 HB2 CYS A 26 -6.869 4.333 -41.625 1.00 14.13 H new ATOM 0 HB3 CYS A 26 -7.512 3.475 -43.012 1.00 14.13 H new ATOM 407 N VAL A 27 -10.283 5.567 -43.260 1.00 5.32 N ATOM 408 CA VAL A 27 -11.660 5.426 -42.799 1.00 2.21 C ATOM 409 C VAL A 27 -12.325 4.203 -43.419 1.00 4.05 C ATOM 410 O VAL A 27 -12.309 4.005 -44.634 1.00 53.42 O ATOM 411 CB VAL A 27 -12.494 6.677 -43.135 1.00 10.32 C ATOM 412 CG1 VAL A 27 -12.251 7.111 -44.572 1.00 23.24 C ATOM 413 CG2 VAL A 27 -13.972 6.411 -42.891 1.00 11.12 C ATOM 0 H VAL A 27 -10.191 5.783 -44.253 1.00 5.32 H new ATOM 0 HA VAL A 27 -11.621 5.304 -41.717 1.00 2.21 H new ATOM 0 HB VAL A 27 -12.181 7.489 -42.479 1.00 10.32 H new ATOM 0 HG11 VAL A 27 -12.849 7.996 -44.791 1.00 23.24 H new ATOM 0 HG12 VAL A 27 -11.195 7.344 -44.708 1.00 23.24 H new ATOM 0 HG13 VAL A 27 -12.535 6.305 -45.249 1.00 23.24 H new ATOM 0 HG21 VAL A 27 -14.547 7.305 -43.133 1.00 11.12 H new ATOM 0 HG22 VAL A 27 -14.302 5.585 -43.521 1.00 11.12 H new ATOM 0 HG23 VAL A 27 -14.127 6.152 -41.844 1.00 11.12 H new ATOM 423 N PRO A 28 -12.927 3.361 -42.566 1.00 42.31 N ATOM 424 CA PRO A 28 -13.612 2.142 -43.007 1.00 35.42 C ATOM 425 C PRO A 28 -14.897 2.442 -43.771 1.00 40.43 C ATOM 426 O PRO A 28 -15.312 1.671 -44.633 1.00 20.25 O ATOM 427 CB PRO A 28 -13.924 1.417 -41.697 1.00 62.22 C ATOM 428 CG PRO A 28 -13.983 2.495 -40.671 1.00 54.10 C ATOM 429 CD PRO A 28 -12.985 3.534 -41.105 1.00 44.24 C ATOM 0 HA PRO A 28 -13.002 1.559 -43.697 1.00 35.42 H new ATOM 0 HB2 PRO A 28 -14.869 0.877 -41.759 1.00 62.22 H new ATOM 0 HB3 PRO A 28 -13.154 0.684 -41.457 1.00 62.22 H new ATOM 0 HG2 PRO A 28 -14.985 2.919 -40.607 1.00 54.10 H new ATOM 0 HG3 PRO A 28 -13.738 2.107 -39.682 1.00 54.10 H new ATOM 0 HD2 PRO A 28 -13.306 4.539 -40.832 1.00 44.24 H new ATOM 0 HD3 PRO A 28 -12.011 3.374 -40.642 1.00 44.24 H new ATOM 437 N ASN A 29 -15.523 3.569 -43.445 1.00 31.11 N ATOM 438 CA ASN A 29 -16.762 3.972 -44.100 1.00 52.21 C ATOM 439 C ASN A 29 -17.910 3.048 -43.706 1.00 3.30 C ATOM 440 O ASN A 29 -18.766 3.414 -42.901 1.00 4.11 O ATOM 441 CB ASN A 29 -16.585 3.965 -45.620 1.00 41.22 C ATOM 442 CG ASN A 29 -16.694 5.354 -46.221 1.00 63.34 C ATOM 443 OD1 ASN A 29 -17.726 6.014 -46.103 1.00 64.22 O ATOM 444 ND2 ASN A 29 -15.625 5.802 -46.869 1.00 22.34 N ATOM 0 H ASN A 29 -15.192 4.219 -42.732 1.00 31.11 H new ATOM 0 HA ASN A 29 -17.005 4.983 -43.774 1.00 52.21 H new ATOM 0 HB2 ASN A 29 -15.612 3.540 -45.868 1.00 41.22 H new ATOM 0 HB3 ASN A 29 -17.339 3.318 -46.068 1.00 41.22 H new ATOM 0 HD21 ASN A 29 -15.638 6.729 -47.294 1.00 22.34 H new ATOM 0 HD22 ASN A 29 -14.791 5.219 -46.941 1.00 22.34 H new ATOM 451 N SER A 30 -17.921 1.848 -44.279 1.00 73.24 N ATOM 452 CA SER A 30 -18.965 0.873 -43.990 1.00 24.23 C ATOM 453 C SER A 30 -18.555 -0.038 -42.836 1.00 33.13 C ATOM 454 O SER A 30 -17.446 -0.570 -42.815 1.00 12.44 O ATOM 455 CB SER A 30 -19.266 0.034 -45.234 1.00 63.15 C ATOM 456 OG SER A 30 -20.642 -0.297 -45.305 1.00 63.24 O ATOM 0 H SER A 30 -17.218 1.528 -44.946 1.00 73.24 H new ATOM 0 HA SER A 30 -19.864 1.416 -43.699 1.00 24.23 H new ATOM 0 HB2 SER A 30 -18.975 0.586 -46.128 1.00 63.15 H new ATOM 0 HB3 SER A 30 -18.670 -0.878 -45.214 1.00 63.15 H new ATOM 0 HG SER A 30 -20.809 -0.832 -46.109 1.00 63.24 H new ATOM 462 N GLY A 31 -19.459 -0.212 -41.877 1.00 10.03 N ATOM 463 CA GLY A 31 -19.174 -1.057 -40.733 1.00 40.41 C ATOM 464 C GLY A 31 -18.705 -0.265 -39.529 1.00 15.13 C ATOM 465 O GLY A 31 -19.051 0.908 -39.376 1.00 74.45 O ATOM 0 H GLY A 31 -20.384 0.218 -41.872 1.00 10.03 H new ATOM 0 HA2 GLY A 31 -20.070 -1.618 -40.468 1.00 40.41 H new ATOM 0 HA3 GLY A 31 -18.410 -1.785 -41.005 1.00 40.41 H new ATOM 469 N ASP A 32 -17.917 -0.904 -38.673 1.00 73.22 N ATOM 470 CA ASP A 32 -17.400 -0.251 -37.475 1.00 31.34 C ATOM 471 C ASP A 32 -15.959 0.205 -37.684 1.00 34.14 C ATOM 472 O ASP A 32 -15.682 1.401 -37.773 1.00 12.23 O ATOM 473 CB ASP A 32 -17.479 -1.199 -36.278 1.00 50.13 C ATOM 474 CG ASP A 32 -18.690 -0.930 -35.406 1.00 73.14 C ATOM 475 OD1 ASP A 32 -18.596 -0.063 -34.513 1.00 41.44 O ATOM 476 OD2 ASP A 32 -19.731 -1.587 -35.616 1.00 73.40 O ATOM 0 H ASP A 32 -17.622 -1.874 -38.785 1.00 73.22 H new ATOM 0 HA ASP A 32 -18.015 0.627 -37.275 1.00 31.34 H new ATOM 0 HB2 ASP A 32 -17.513 -2.228 -36.635 1.00 50.13 H new ATOM 0 HB3 ASP A 32 -16.574 -1.099 -35.679 1.00 50.13 H new ATOM 481 N CYS A 33 -15.044 -0.756 -37.761 1.00 61.22 N ATOM 482 CA CYS A 33 -13.632 -0.454 -37.958 1.00 13.42 C ATOM 483 C CYS A 33 -12.915 -1.618 -38.636 1.00 45.15 C ATOM 484 O CYS A 33 -13.304 -2.776 -38.479 1.00 51.22 O ATOM 485 CB CYS A 33 -12.964 -0.142 -36.617 1.00 15.21 C ATOM 486 SG CYS A 33 -13.132 -1.464 -35.376 1.00 63.01 S ATOM 0 H CYS A 33 -15.256 -1.751 -37.690 1.00 61.22 H new ATOM 0 HA CYS A 33 -13.561 0.420 -38.605 1.00 13.42 H new ATOM 0 HB2 CYS A 33 -11.904 0.049 -36.787 1.00 15.21 H new ATOM 0 HB3 CYS A 33 -13.393 0.776 -36.215 1.00 15.21 H new ATOM 492 N GLY A 34 -11.868 -1.303 -39.390 1.00 20.40 N ATOM 493 CA GLY A 34 -11.114 -2.334 -40.080 1.00 11.14 C ATOM 494 C GLY A 34 -10.540 -1.848 -41.397 1.00 34.34 C ATOM 495 O GLY A 34 -9.908 -0.794 -41.455 1.00 14.24 O ATOM 0 H GLY A 34 -11.528 -0.353 -39.536 1.00 20.40 H new ATOM 0 HA2 GLY A 34 -10.303 -2.678 -39.438 1.00 11.14 H new ATOM 0 HA3 GLY A 34 -11.761 -3.192 -40.263 1.00 11.14 H new ATOM 499 N ASN A 35 -10.758 -2.620 -42.457 1.00 3.40 N ATOM 500 CA ASN A 35 -10.256 -2.263 -43.779 1.00 75.31 C ATOM 501 C ASN A 35 -10.933 -0.998 -44.295 1.00 44.21 C ATOM 502 O ASN A 35 -12.127 -0.997 -44.592 1.00 15.23 O ATOM 503 CB ASN A 35 -10.483 -3.413 -44.760 1.00 23.55 C ATOM 504 CG ASN A 35 -9.189 -4.097 -45.161 1.00 45.00 C ATOM 505 OD1 ASN A 35 -8.936 -5.241 -44.783 1.00 60.14 O ATOM 506 ND2 ASN A 35 -8.364 -3.396 -45.929 1.00 31.21 N ATOM 0 H ASN A 35 -11.279 -3.496 -42.426 1.00 3.40 H new ATOM 0 HA ASN A 35 -9.186 -2.072 -43.695 1.00 75.31 H new ATOM 0 HB2 ASN A 35 -11.153 -4.145 -44.308 1.00 23.55 H new ATOM 0 HB3 ASN A 35 -10.981 -3.033 -45.652 1.00 23.55 H new ATOM 0 HD21 ASN A 35 -7.478 -3.803 -46.230 1.00 31.21 H new ATOM 0 HD22 ASN A 35 -8.616 -2.451 -46.218 1.00 31.21 H new ATOM 513 N GLY A 36 -10.161 0.080 -44.399 1.00 33.12 N ATOM 514 CA GLY A 36 -10.703 1.338 -44.880 1.00 24.51 C ATOM 515 C GLY A 36 -9.955 1.868 -46.086 1.00 15.32 C ATOM 516 O GLY A 36 -9.125 1.168 -46.668 1.00 53.01 O ATOM 0 H GLY A 36 -9.170 0.105 -44.159 1.00 33.12 H new ATOM 0 HA2 GLY A 36 -11.753 1.202 -45.138 1.00 24.51 H new ATOM 0 HA3 GLY A 36 -10.665 2.076 -44.079 1.00 24.51 H new ATOM 520 N ILE A 37 -10.248 3.108 -46.465 1.00 35.41 N ATOM 521 CA ILE A 37 -9.596 3.731 -47.610 1.00 71.13 C ATOM 522 C ILE A 37 -8.951 5.057 -47.221 1.00 43.20 C ATOM 523 O ILE A 37 -9.443 5.762 -46.340 1.00 10.53 O ATOM 524 CB ILE A 37 -10.591 3.974 -48.760 1.00 34.31 C ATOM 525 CG1 ILE A 37 -11.411 2.711 -49.030 1.00 33.24 C ATOM 526 CG2 ILE A 37 -9.852 4.411 -50.016 1.00 31.33 C ATOM 527 CD1 ILE A 37 -10.580 1.543 -49.513 1.00 14.34 C ATOM 0 H ILE A 37 -10.933 3.701 -45.996 1.00 35.41 H new ATOM 0 HA ILE A 37 -8.824 3.040 -47.949 1.00 71.13 H new ATOM 0 HB ILE A 37 -11.274 4.772 -48.467 1.00 34.31 H new ATOM 0 HG12 ILE A 37 -11.931 2.423 -48.116 1.00 33.24 H new ATOM 0 HG13 ILE A 37 -12.175 2.936 -49.775 1.00 33.24 H new ATOM 0 HG21 ILE A 37 -10.569 4.579 -50.820 1.00 31.33 H new ATOM 0 HG22 ILE A 37 -9.308 5.334 -49.816 1.00 31.33 H new ATOM 0 HG23 ILE A 37 -9.149 3.633 -50.313 1.00 31.33 H new ATOM 0 HD11 ILE A 37 -11.227 0.682 -49.684 1.00 14.34 H new ATOM 0 HD12 ILE A 37 -10.080 1.812 -50.444 1.00 14.34 H new ATOM 0 HD13 ILE A 37 -9.833 1.292 -48.760 1.00 14.34 H new ATOM 539 N ARG A 38 -7.850 5.391 -47.885 1.00 75.30 N ATOM 540 CA ARG A 38 -7.138 6.633 -47.610 1.00 40.03 C ATOM 541 C ARG A 38 -6.847 7.391 -48.902 1.00 74.05 C ATOM 542 O ARG A 38 -6.592 6.786 -49.942 1.00 3.11 O ATOM 543 CB ARG A 38 -5.830 6.343 -46.870 1.00 5.30 C ATOM 544 CG ARG A 38 -4.832 5.542 -47.689 1.00 51.51 C ATOM 545 CD ARG A 38 -3.403 5.985 -47.414 1.00 2.23 C ATOM 546 NE ARG A 38 -2.949 5.576 -46.088 1.00 13.54 N ATOM 547 CZ ARG A 38 -2.478 4.366 -45.814 1.00 61.35 C ATOM 548 NH1 ARG A 38 -2.400 3.449 -46.768 1.00 2.13 N ATOM 549 NH2 ARG A 38 -2.084 4.068 -44.582 1.00 15.10 N ATOM 0 H ARG A 38 -7.431 4.818 -48.618 1.00 75.30 H new ATOM 0 HA ARG A 38 -7.774 7.255 -46.980 1.00 40.03 H new ATOM 0 HB2 ARG A 38 -5.371 7.287 -46.576 1.00 5.30 H new ATOM 0 HB3 ARG A 38 -6.054 5.799 -45.953 1.00 5.30 H new ATOM 0 HG2 ARG A 38 -4.937 4.482 -47.457 1.00 51.51 H new ATOM 0 HG3 ARG A 38 -5.053 5.659 -48.750 1.00 51.51 H new ATOM 0 HD2 ARG A 38 -2.741 5.563 -48.170 1.00 2.23 H new ATOM 0 HD3 ARG A 38 -3.336 7.069 -47.501 1.00 2.23 H new ATOM 0 HE ARG A 38 -2.996 6.258 -45.331 1.00 13.54 H new ATOM 0 HH11 ARG A 38 -2.702 3.672 -47.716 1.00 2.13 H new ATOM 0 HH12 ARG A 38 -2.037 2.520 -46.554 1.00 2.13 H new ATOM 0 HH21 ARG A 38 -2.143 4.770 -43.844 1.00 15.10 H new ATOM 0 HH22 ARG A 38 -1.722 3.137 -44.373 1.00 15.10 H new ATOM 563 N GLU A 39 -6.887 8.718 -48.825 1.00 22.14 N ATOM 564 CA GLU A 39 -6.629 9.557 -49.989 1.00 51.13 C ATOM 565 C GLU A 39 -5.219 10.139 -49.938 1.00 62.14 C ATOM 566 O GLU A 39 -4.795 10.678 -48.916 1.00 43.50 O ATOM 567 CB GLU A 39 -7.657 10.687 -50.069 1.00 51.44 C ATOM 568 CG GLU A 39 -8.573 10.593 -51.277 1.00 31.31 C ATOM 569 CD GLU A 39 -8.389 11.749 -52.241 1.00 74.33 C ATOM 570 OE1 GLU A 39 -8.126 12.876 -51.771 1.00 33.24 O ATOM 571 OE2 GLU A 39 -8.506 11.526 -53.465 1.00 54.43 O ATOM 0 H GLU A 39 -7.095 9.234 -47.970 1.00 22.14 H new ATOM 0 HA GLU A 39 -6.715 8.935 -50.880 1.00 51.13 H new ATOM 0 HB2 GLU A 39 -8.263 10.680 -49.163 1.00 51.44 H new ATOM 0 HB3 GLU A 39 -7.133 11.642 -50.095 1.00 51.44 H new ATOM 0 HG2 GLU A 39 -8.383 9.655 -51.800 1.00 31.31 H new ATOM 0 HG3 GLU A 39 -9.610 10.567 -50.941 1.00 31.31 H new ATOM 578 N ALA A 40 -4.498 10.026 -51.048 1.00 73.13 N ATOM 579 CA ALA A 40 -3.137 10.542 -51.131 1.00 72.44 C ATOM 580 C ALA A 40 -2.906 11.273 -52.449 1.00 42.21 C ATOM 581 O ALA A 40 -3.309 10.800 -53.513 1.00 51.12 O ATOM 582 CB ALA A 40 -2.132 9.410 -50.970 1.00 3.45 C ATOM 0 H ALA A 40 -4.833 9.582 -51.903 1.00 73.13 H new ATOM 0 HA ALA A 40 -2.996 11.256 -50.320 1.00 72.44 H new ATOM 0 HB1 ALA A 40 -1.120 9.810 -51.034 1.00 3.45 H new ATOM 0 HB2 ALA A 40 -2.273 8.933 -50.000 1.00 3.45 H new ATOM 0 HB3 ALA A 40 -2.282 8.675 -51.761 1.00 3.45 H new ATOM 588 N THR A 41 -2.257 12.431 -52.373 1.00 74.01 N ATOM 589 CA THR A 41 -1.974 13.228 -53.559 1.00 3.13 C ATOM 590 C THR A 41 -0.510 13.650 -53.603 1.00 72.52 C ATOM 591 O THR A 41 -0.015 14.307 -52.687 1.00 24.04 O ATOM 592 CB THR A 41 -2.861 14.487 -53.614 1.00 54.34 C ATOM 593 OG1 THR A 41 -3.753 14.507 -52.494 1.00 74.43 O ATOM 594 CG2 THR A 41 -3.662 14.529 -54.907 1.00 32.20 C ATOM 0 H THR A 41 -1.918 12.837 -51.501 1.00 74.01 H new ATOM 0 HA THR A 41 -2.193 12.599 -54.422 1.00 3.13 H new ATOM 0 HB THR A 41 -2.213 15.363 -53.578 1.00 54.34 H new ATOM 0 HG1 THR A 41 -4.312 15.311 -52.535 1.00 74.43 H new ATOM 0 HG21 THR A 41 -4.280 15.426 -54.923 1.00 32.20 H new ATOM 0 HG22 THR A 41 -2.980 14.543 -55.757 1.00 32.20 H new ATOM 0 HG23 THR A 41 -4.300 13.648 -54.968 1.00 32.20 H new ATOM 602 N CYS A 42 0.179 13.268 -54.673 1.00 1.04 N ATOM 603 CA CYS A 42 1.588 13.606 -54.837 1.00 41.44 C ATOM 604 C CYS A 42 1.962 13.674 -56.314 1.00 20.02 C ATOM 605 O CYS A 42 1.358 13.003 -57.150 1.00 14.21 O ATOM 606 CB CYS A 42 2.467 12.577 -54.123 1.00 12.41 C ATOM 607 SG CYS A 42 3.863 13.303 -53.204 1.00 2.51 S ATOM 0 H CYS A 42 -0.216 12.724 -55.440 1.00 1.04 H new ATOM 0 HA CYS A 42 1.755 14.587 -54.393 1.00 41.44 H new ATOM 0 HB2 CYS A 42 1.849 12.004 -53.431 1.00 12.41 H new ATOM 0 HB3 CYS A 42 2.857 11.874 -54.859 1.00 12.41 H new ATOM 613 N ASN A 43 2.964 14.490 -56.629 1.00 41.01 N ATOM 614 CA ASN A 43 3.419 14.646 -58.005 1.00 33.24 C ATOM 615 C ASN A 43 2.392 15.410 -58.835 1.00 74.10 C ATOM 616 O ASN A 43 2.615 16.561 -59.209 1.00 71.15 O ATOM 617 CB ASN A 43 3.684 13.277 -58.635 1.00 33.02 C ATOM 618 CG ASN A 43 5.139 13.087 -59.015 1.00 34.22 C ATOM 619 OD1 ASN A 43 5.732 12.043 -58.743 1.00 15.12 O ATOM 620 ND2 ASN A 43 5.722 14.099 -59.649 1.00 71.54 N ATOM 0 H ASN A 43 3.476 15.053 -55.949 1.00 41.01 H new ATOM 0 HA ASN A 43 4.347 15.218 -57.992 1.00 33.24 H new ATOM 0 HB2 ASN A 43 3.389 12.495 -57.935 1.00 33.02 H new ATOM 0 HB3 ASN A 43 3.062 13.162 -59.522 1.00 33.02 H new ATOM 0 HD21 ASN A 43 6.700 14.029 -59.931 1.00 71.54 H new ATOM 0 HD22 ASN A 43 5.192 14.946 -59.854 1.00 71.54 H new ATOM 627 N GLU A 44 1.268 14.761 -59.118 1.00 3.40 N ATOM 628 CA GLU A 44 0.206 15.380 -59.903 1.00 1.24 C ATOM 629 C GLU A 44 -0.934 14.396 -60.151 1.00 73.44 C ATOM 630 O GLU A 44 -1.552 14.402 -61.214 1.00 2.44 O ATOM 631 CB GLU A 44 0.758 15.885 -61.239 1.00 63.43 C ATOM 632 CG GLU A 44 0.387 17.326 -61.545 1.00 41.40 C ATOM 633 CD GLU A 44 -0.961 17.449 -62.228 1.00 10.44 C ATOM 634 OE1 GLU A 44 -1.252 16.626 -63.121 1.00 64.03 O ATOM 635 OE2 GLU A 44 -1.726 18.370 -61.869 1.00 31.10 O ATOM 0 H GLU A 44 1.069 13.807 -58.816 1.00 3.40 H new ATOM 0 HA GLU A 44 -0.184 16.225 -59.335 1.00 1.24 H new ATOM 0 HB2 GLU A 44 1.844 15.792 -61.232 1.00 63.43 H new ATOM 0 HB3 GLU A 44 0.388 15.245 -62.040 1.00 63.43 H new ATOM 0 HG2 GLU A 44 0.374 17.899 -60.618 1.00 41.40 H new ATOM 0 HG3 GLU A 44 1.154 17.767 -62.181 1.00 41.40 H new ATOM 642 N GLN A 45 -1.202 13.551 -59.160 1.00 30.33 N ATOM 643 CA GLN A 45 -2.265 12.559 -59.271 1.00 5.54 C ATOM 644 C GLN A 45 -2.774 12.150 -57.892 1.00 22.13 C ATOM 645 O GLN A 45 -2.075 12.304 -56.890 1.00 34.44 O ATOM 646 CB GLN A 45 -1.767 11.328 -60.030 1.00 2.43 C ATOM 647 CG GLN A 45 -0.449 10.782 -59.505 1.00 22.04 C ATOM 648 CD GLN A 45 0.681 10.927 -60.504 1.00 72.42 C ATOM 649 OE1 GLN A 45 0.463 10.897 -61.716 1.00 51.32 O ATOM 650 NE2 GLN A 45 1.900 11.084 -60.001 1.00 43.24 N ATOM 0 H GLN A 45 -0.699 13.534 -58.273 1.00 30.33 H new ATOM 0 HA GLN A 45 -3.090 13.008 -59.824 1.00 5.54 H new ATOM 0 HB2 GLN A 45 -2.524 10.545 -59.973 1.00 2.43 H new ATOM 0 HB3 GLN A 45 -1.651 11.583 -61.083 1.00 2.43 H new ATOM 0 HG2 GLN A 45 -0.185 11.303 -58.585 1.00 22.04 H new ATOM 0 HG3 GLN A 45 -0.572 9.729 -59.251 1.00 22.04 H new ATOM 0 HE21 GLN A 45 2.036 11.103 -58.990 1.00 43.24 H new ATOM 0 HE22 GLN A 45 2.700 11.185 -60.625 1.00 43.24 H new ATOM 659 N THR A 46 -3.996 11.629 -57.848 1.00 2.33 N ATOM 660 CA THR A 46 -4.599 11.199 -56.592 1.00 14.43 C ATOM 661 C THR A 46 -5.078 9.755 -56.679 1.00 63.01 C ATOM 662 O THR A 46 -5.851 9.398 -57.569 1.00 31.12 O ATOM 663 CB THR A 46 -5.786 12.100 -56.202 1.00 52.44 C ATOM 664 OG1 THR A 46 -5.604 13.413 -56.745 1.00 43.13 O ATOM 665 CG2 THR A 46 -5.924 12.186 -54.689 1.00 24.23 C ATOM 0 H THR A 46 -4.588 11.494 -58.668 1.00 2.33 H new ATOM 0 HA THR A 46 -3.827 11.277 -55.827 1.00 14.43 H new ATOM 0 HB THR A 46 -6.697 11.662 -56.611 1.00 52.44 H new ATOM 0 HG1 THR A 46 -6.364 13.979 -56.494 1.00 43.13 H new ATOM 0 HG21 THR A 46 -6.768 12.827 -54.437 1.00 24.23 H new ATOM 0 HG22 THR A 46 -6.091 11.189 -54.282 1.00 24.23 H new ATOM 0 HG23 THR A 46 -5.011 12.603 -54.264 1.00 24.23 H new ATOM 673 N LYS A 47 -4.615 8.926 -55.749 1.00 5.22 N ATOM 674 CA LYS A 47 -4.999 7.520 -55.718 1.00 70.11 C ATOM 675 C LYS A 47 -5.396 7.095 -54.308 1.00 75.23 C ATOM 676 O LYS A 47 -4.836 7.577 -53.322 1.00 4.52 O ATOM 677 CB LYS A 47 -3.848 6.645 -56.221 1.00 1.12 C ATOM 678 CG LYS A 47 -2.478 7.132 -55.783 1.00 11.22 C ATOM 679 CD LYS A 47 -1.379 6.183 -56.232 1.00 42.22 C ATOM 680 CE LYS A 47 -0.764 5.445 -55.052 1.00 24.40 C ATOM 681 NZ LYS A 47 -0.502 4.013 -55.369 1.00 40.33 N ATOM 0 H LYS A 47 -3.973 9.204 -55.007 1.00 5.22 H new ATOM 0 HA LYS A 47 -5.860 7.390 -56.373 1.00 70.11 H new ATOM 0 HB2 LYS A 47 -3.994 5.626 -55.863 1.00 1.12 H new ATOM 0 HB3 LYS A 47 -3.880 6.608 -57.310 1.00 1.12 H new ATOM 0 HG2 LYS A 47 -2.294 8.124 -56.196 1.00 11.22 H new ATOM 0 HG3 LYS A 47 -2.455 7.229 -54.698 1.00 11.22 H new ATOM 0 HD2 LYS A 47 -1.786 5.462 -56.941 1.00 42.22 H new ATOM 0 HD3 LYS A 47 -0.605 6.743 -56.756 1.00 42.22 H new ATOM 0 HE2 LYS A 47 0.169 5.930 -54.766 1.00 24.40 H new ATOM 0 HE3 LYS A 47 -1.433 5.511 -54.194 1.00 24.40 H new ATOM 0 HZ1 LYS A 47 -0.083 3.545 -54.540 1.00 40.33 H new ATOM 0 HZ2 LYS A 47 -1.396 3.543 -55.617 1.00 40.33 H new ATOM 0 HZ3 LYS A 47 0.156 3.950 -56.172 1.00 40.33 H new ATOM 695 N LYS A 48 -6.362 6.188 -54.218 1.00 72.41 N ATOM 696 CA LYS A 48 -6.832 5.694 -52.928 1.00 14.14 C ATOM 697 C LYS A 48 -6.297 4.292 -52.655 1.00 54.15 C ATOM 698 O LYS A 48 -6.327 3.423 -53.526 1.00 31.04 O ATOM 699 CB LYS A 48 -8.361 5.685 -52.890 1.00 44.35 C ATOM 700 CG LYS A 48 -8.961 6.926 -52.252 1.00 61.25 C ATOM 701 CD LYS A 48 -10.464 6.994 -52.470 1.00 53.24 C ATOM 702 CE LYS A 48 -11.022 8.352 -52.074 1.00 3.43 C ATOM 703 NZ LYS A 48 -11.117 8.504 -50.595 1.00 23.43 N ATOM 0 H LYS A 48 -6.836 5.779 -55.023 1.00 72.41 H new ATOM 0 HA LYS A 48 -6.459 6.363 -52.152 1.00 14.14 H new ATOM 0 HB2 LYS A 48 -8.741 5.590 -53.907 1.00 44.35 H new ATOM 0 HB3 LYS A 48 -8.697 4.806 -52.341 1.00 44.35 H new ATOM 0 HG2 LYS A 48 -8.747 6.926 -51.183 1.00 61.25 H new ATOM 0 HG3 LYS A 48 -8.491 7.815 -52.672 1.00 61.25 H new ATOM 0 HD2 LYS A 48 -10.690 6.798 -53.518 1.00 53.24 H new ATOM 0 HD3 LYS A 48 -10.953 6.214 -51.887 1.00 53.24 H new ATOM 0 HE2 LYS A 48 -10.385 9.138 -52.480 1.00 3.43 H new ATOM 0 HE3 LYS A 48 -12.010 8.482 -52.516 1.00 3.43 H new ATOM 0 HZ1 LYS A 48 -11.502 9.443 -50.367 1.00 23.43 H new ATOM 0 HZ2 LYS A 48 -11.745 7.770 -50.210 1.00 23.43 H new ATOM 0 HZ3 LYS A 48 -10.171 8.406 -50.174 1.00 23.43 H new ATOM 717 N THR A 49 -5.808 4.078 -51.437 1.00 62.23 N ATOM 718 CA THR A 49 -5.267 2.781 -51.048 1.00 1.21 C ATOM 719 C THR A 49 -6.102 2.147 -49.942 1.00 44.01 C ATOM 720 O THR A 49 -6.942 2.806 -49.327 1.00 21.41 O ATOM 721 CB THR A 49 -3.808 2.903 -50.569 1.00 25.32 C ATOM 722 OG1 THR A 49 -3.774 3.333 -49.205 1.00 41.53 O ATOM 723 CG2 THR A 49 -3.034 3.884 -51.435 1.00 35.13 C ATOM 0 H THR A 49 -5.776 4.786 -50.703 1.00 62.23 H new ATOM 0 HA THR A 49 -5.299 2.146 -51.933 1.00 1.21 H new ATOM 0 HB THR A 49 -3.339 1.922 -50.651 1.00 25.32 H new ATOM 0 HG1 THR A 49 -3.866 2.556 -48.615 1.00 41.53 H new ATOM 0 HG21 THR A 49 -2.007 3.953 -51.077 1.00 35.13 H new ATOM 0 HG22 THR A 49 -3.036 3.537 -52.468 1.00 35.13 H new ATOM 0 HG23 THR A 49 -3.504 4.866 -51.381 1.00 35.13 H new ATOM 731 N LYS A 50 -5.867 0.864 -49.691 1.00 71.41 N ATOM 732 CA LYS A 50 -6.595 0.139 -48.657 1.00 70.31 C ATOM 733 C LYS A 50 -5.721 -0.077 -47.425 1.00 4.32 C ATOM 734 O LYS A 50 -4.701 -0.762 -47.489 1.00 74.35 O ATOM 735 CB LYS A 50 -7.079 -1.210 -49.195 1.00 72.25 C ATOM 736 CG LYS A 50 -8.547 -1.218 -49.585 1.00 75.44 C ATOM 737 CD LYS A 50 -8.737 -0.856 -51.048 1.00 43.44 C ATOM 738 CE LYS A 50 -9.773 -1.748 -51.713 1.00 1.42 C ATOM 739 NZ LYS A 50 -11.108 -1.090 -51.783 1.00 24.50 N ATOM 0 H LYS A 50 -5.176 0.304 -50.191 1.00 71.41 H new ATOM 0 HA LYS A 50 -7.458 0.739 -48.368 1.00 70.31 H new ATOM 0 HB2 LYS A 50 -6.479 -1.481 -50.064 1.00 72.25 H new ATOM 0 HB3 LYS A 50 -6.909 -1.976 -48.438 1.00 72.25 H new ATOM 0 HG2 LYS A 50 -8.969 -2.205 -49.396 1.00 75.44 H new ATOM 0 HG3 LYS A 50 -9.094 -0.512 -48.960 1.00 75.44 H new ATOM 0 HD2 LYS A 50 -9.047 0.186 -51.129 1.00 43.44 H new ATOM 0 HD3 LYS A 50 -7.786 -0.947 -51.573 1.00 43.44 H new ATOM 0 HE2 LYS A 50 -9.441 -2.003 -52.719 1.00 1.42 H new ATOM 0 HE3 LYS A 50 -9.857 -2.683 -51.159 1.00 1.42 H new ATOM 0 HZ1 LYS A 50 -11.708 -1.594 -52.466 1.00 24.50 H new ATOM 0 HZ2 LYS A 50 -11.556 -1.114 -50.845 1.00 24.50 H new ATOM 0 HZ3 LYS A 50 -10.993 -0.102 -52.087 1.00 24.50 H new ATOM 753 N CYS A 51 -6.129 0.510 -46.306 1.00 12.53 N ATOM 754 CA CYS A 51 -5.385 0.382 -45.059 1.00 51.13 C ATOM 755 C CYS A 51 -6.321 0.063 -43.896 1.00 15.55 C ATOM 756 O CYS A 51 -7.487 0.456 -43.899 1.00 41.25 O ATOM 757 CB CYS A 51 -4.612 1.670 -44.767 1.00 75.11 C ATOM 758 SG CYS A 51 -5.572 3.193 -45.043 1.00 3.13 S ATOM 0 H CYS A 51 -6.972 1.080 -46.237 1.00 12.53 H new ATOM 0 HA CYS A 51 -4.679 -0.441 -45.170 1.00 51.13 H new ATOM 0 HB2 CYS A 51 -4.272 1.650 -43.731 1.00 75.11 H new ATOM 0 HB3 CYS A 51 -3.721 1.696 -45.394 1.00 75.11 H new ATOM 764 N LYS A 52 -5.800 -0.651 -42.905 1.00 65.13 N ATOM 765 CA LYS A 52 -6.587 -1.023 -41.734 1.00 2.44 C ATOM 766 C LYS A 52 -6.401 -0.009 -40.610 1.00 52.24 C ATOM 767 O LYS A 52 -5.315 0.541 -40.429 1.00 33.21 O ATOM 768 CB LYS A 52 -6.189 -2.418 -41.249 1.00 20.31 C ATOM 769 CG LYS A 52 -7.370 -3.272 -40.820 1.00 71.02 C ATOM 770 CD LYS A 52 -7.537 -3.273 -39.309 1.00 25.24 C ATOM 771 CE LYS A 52 -6.534 -4.198 -38.638 1.00 63.20 C ATOM 772 NZ LYS A 52 -6.811 -4.354 -37.183 1.00 10.03 N ATOM 0 H LYS A 52 -4.836 -0.984 -42.888 1.00 65.13 H new ATOM 0 HA LYS A 52 -7.639 -1.032 -42.021 1.00 2.44 H new ATOM 0 HB2 LYS A 52 -5.651 -2.931 -42.046 1.00 20.31 H new ATOM 0 HB3 LYS A 52 -5.499 -2.319 -40.411 1.00 20.31 H new ATOM 0 HG2 LYS A 52 -8.280 -2.897 -41.287 1.00 71.02 H new ATOM 0 HG3 LYS A 52 -7.228 -4.294 -41.172 1.00 71.02 H new ATOM 0 HD2 LYS A 52 -7.411 -2.260 -38.927 1.00 25.24 H new ATOM 0 HD3 LYS A 52 -8.549 -3.586 -39.054 1.00 25.24 H new ATOM 0 HE2 LYS A 52 -6.562 -5.175 -39.120 1.00 63.20 H new ATOM 0 HE3 LYS A 52 -5.527 -3.804 -38.776 1.00 63.20 H new ATOM 0 HZ1 LYS A 52 -6.106 -4.992 -36.762 1.00 10.03 H new ATOM 0 HZ2 LYS A 52 -6.759 -3.425 -36.718 1.00 10.03 H new ATOM 0 HZ3 LYS A 52 -7.762 -4.754 -37.052 1.00 10.03 H new ATOM 786 N VAL A 53 -7.469 0.233 -39.855 1.00 73.41 N ATOM 787 CA VAL A 53 -7.422 1.178 -38.746 1.00 71.44 C ATOM 788 C VAL A 53 -7.033 0.481 -37.446 1.00 15.44 C ATOM 789 O VAL A 53 -7.282 -0.708 -37.252 1.00 51.02 O ATOM 790 CB VAL A 53 -8.777 1.883 -38.552 1.00 43.31 C ATOM 791 CG1 VAL A 53 -9.208 2.575 -39.836 1.00 32.34 C ATOM 792 CG2 VAL A 53 -9.833 0.890 -38.091 1.00 31.20 C ATOM 0 H VAL A 53 -8.376 -0.212 -39.992 1.00 73.41 H new ATOM 0 HA VAL A 53 -6.666 1.922 -38.996 1.00 71.44 H new ATOM 0 HB VAL A 53 -8.664 2.643 -37.779 1.00 43.31 H new ATOM 0 HG11 VAL A 53 -10.168 3.068 -39.679 1.00 32.34 H new ATOM 0 HG12 VAL A 53 -8.461 3.317 -40.118 1.00 32.34 H new ATOM 0 HG13 VAL A 53 -9.305 1.837 -40.632 1.00 32.34 H new ATOM 0 HG21 VAL A 53 -10.784 1.406 -37.959 1.00 31.20 H new ATOM 0 HG22 VAL A 53 -9.946 0.106 -38.839 1.00 31.20 H new ATOM 0 HG23 VAL A 53 -9.526 0.446 -37.144 1.00 31.20 H new ATOM 802 N PRO A 54 -6.408 1.240 -36.533 1.00 21.43 N ATOM 803 CA PRO A 54 -5.972 0.717 -35.234 1.00 1.11 C ATOM 804 C PRO A 54 -7.146 0.402 -34.313 1.00 0.21 C ATOM 805 O PRO A 54 -7.456 1.169 -33.401 1.00 1.12 O ATOM 806 CB PRO A 54 -5.131 1.858 -34.657 1.00 51.23 C ATOM 807 CG PRO A 54 -5.655 3.087 -35.317 1.00 33.34 C ATOM 808 CD PRO A 54 -6.079 2.667 -36.697 1.00 25.52 C ATOM 0 HA PRO A 54 -5.429 -0.223 -35.334 1.00 1.11 H new ATOM 0 HB2 PRO A 54 -5.233 1.916 -33.573 1.00 51.23 H new ATOM 0 HB3 PRO A 54 -4.072 1.716 -34.870 1.00 51.23 H new ATOM 0 HG2 PRO A 54 -6.495 3.501 -34.760 1.00 33.34 H new ATOM 0 HG3 PRO A 54 -4.890 3.862 -35.363 1.00 33.34 H new ATOM 0 HD2 PRO A 54 -6.938 3.240 -37.045 1.00 25.52 H new ATOM 0 HD3 PRO A 54 -5.281 2.814 -37.425 1.00 25.52 H new ATOM 816 N CYS A 55 -7.795 -0.732 -34.557 1.00 50.24 N ATOM 817 CA CYS A 55 -8.935 -1.149 -33.749 1.00 72.03 C ATOM 818 C CYS A 55 -8.572 -2.344 -32.872 1.00 73.02 C ATOM 819 O CYS A 55 -7.514 -2.951 -33.039 1.00 22.23 O ATOM 820 CB CYS A 55 -10.120 -1.505 -34.648 1.00 24.00 C ATOM 821 SG CYS A 55 -11.742 -1.035 -33.962 1.00 14.10 S ATOM 0 H CYS A 55 -7.551 -1.378 -35.307 1.00 50.24 H new ATOM 0 HA CYS A 55 -9.214 -0.317 -33.102 1.00 72.03 H new ATOM 0 HB2 CYS A 55 -9.990 -1.015 -35.613 1.00 24.00 H new ATOM 0 HB3 CYS A 55 -10.113 -2.579 -34.832 1.00 24.00 H new ATOM 827 N ASN A 56 -9.455 -2.675 -31.936 1.00 1.31 N ATOM 828 CA ASN A 56 -9.228 -3.796 -31.033 1.00 62.12 C ATOM 829 C ASN A 56 -9.353 -5.125 -31.772 1.00 45.04 C ATOM 830 O ASN A 56 -8.396 -5.896 -31.848 1.00 25.31 O ATOM 831 CB ASN A 56 -10.222 -3.751 -29.870 1.00 33.32 C ATOM 832 CG ASN A 56 -10.079 -2.493 -29.036 1.00 13.54 C ATOM 833 OD1 ASN A 56 -11.004 -1.685 -28.948 1.00 1.13 O ATOM 834 ND2 ASN A 56 -8.916 -2.321 -28.419 1.00 40.11 N ATOM 0 H ASN A 56 -10.335 -2.182 -31.783 1.00 1.31 H new ATOM 0 HA ASN A 56 -8.215 -3.713 -30.640 1.00 62.12 H new ATOM 0 HB2 ASN A 56 -11.238 -3.811 -30.261 1.00 33.32 H new ATOM 0 HB3 ASN A 56 -10.073 -4.624 -29.234 1.00 33.32 H new ATOM 0 HD21 ASN A 56 -8.761 -1.493 -27.844 1.00 40.11 H new ATOM 0 HD22 ASN A 56 -8.177 -3.017 -28.520 1.00 40.11 H new ATOM 941 N GLY A 62 -4.578 -15.492 -33.387 1.00 74.30 N ATOM 942 CA GLY A 62 -3.576 -14.454 -33.241 1.00 52.42 C ATOM 943 C GLY A 62 -2.242 -14.996 -32.766 1.00 12.31 C ATOM 944 O GLY A 62 -2.143 -16.156 -32.368 1.00 22.45 O ATOM 0 HA2 GLY A 62 -3.439 -13.949 -34.197 1.00 52.42 H new ATOM 0 HA3 GLY A 62 -3.933 -13.706 -32.533 1.00 52.42 H new ATOM 948 N ALA A 63 -1.214 -14.155 -32.810 1.00 41.01 N ATOM 949 CA ALA A 63 0.120 -14.557 -32.381 1.00 12.11 C ATOM 950 C ALA A 63 0.126 -14.954 -30.908 1.00 31.13 C ATOM 951 O ALA A 63 0.885 -15.831 -30.495 1.00 24.21 O ATOM 952 CB ALA A 63 1.116 -13.434 -32.631 1.00 65.34 C ATOM 0 H ALA A 63 -1.279 -13.191 -33.138 1.00 41.01 H new ATOM 0 HA ALA A 63 0.416 -15.427 -32.967 1.00 12.11 H new ATOM 0 HB1 ALA A 63 2.108 -13.748 -32.306 1.00 65.34 H new ATOM 0 HB2 ALA A 63 1.140 -13.199 -33.695 1.00 65.34 H new ATOM 0 HB3 ALA A 63 0.814 -12.549 -32.071 1.00 65.34 H new ATOM 958 N ASP A 64 -0.723 -14.303 -30.122 1.00 53.24 N ATOM 959 CA ASP A 64 -0.815 -14.588 -28.694 1.00 21.01 C ATOM 960 C ASP A 64 0.565 -14.559 -28.044 1.00 22.11 C ATOM 961 O ASP A 64 1.234 -15.587 -27.935 1.00 24.12 O ATOM 962 CB ASP A 64 -1.471 -15.951 -28.466 1.00 2.25 C ATOM 963 CG ASP A 64 -2.982 -15.891 -28.575 1.00 34.32 C ATOM 964 OD1 ASP A 64 -3.597 -15.074 -27.859 1.00 1.44 O ATOM 965 OD2 ASP A 64 -3.549 -16.662 -29.377 1.00 50.41 O ATOM 0 H ASP A 64 -1.358 -13.574 -30.448 1.00 53.24 H new ATOM 0 HA ASP A 64 -1.430 -13.815 -28.233 1.00 21.01 H new ATOM 0 HB2 ASP A 64 -1.085 -16.663 -29.195 1.00 2.25 H new ATOM 0 HB3 ASP A 64 -1.195 -16.323 -27.479 1.00 2.25 H new ATOM 970 N CYS A 65 0.985 -13.374 -27.614 1.00 73.24 N ATOM 971 CA CYS A 65 2.286 -13.210 -26.976 1.00 43.22 C ATOM 972 C CYS A 65 2.181 -12.303 -25.753 1.00 44.41 C ATOM 973 O CYS A 65 1.425 -11.331 -25.750 1.00 41.24 O ATOM 974 CB CYS A 65 3.295 -12.630 -27.969 1.00 10.52 C ATOM 975 SG CYS A 65 3.857 -13.813 -29.234 1.00 12.13 S ATOM 0 H CYS A 65 0.444 -12.513 -27.696 1.00 73.24 H new ATOM 0 HA CYS A 65 2.630 -14.192 -26.651 1.00 43.22 H new ATOM 0 HB2 CYS A 65 2.847 -11.769 -28.465 1.00 10.52 H new ATOM 0 HB3 CYS A 65 4.162 -12.264 -27.418 1.00 10.52 H new ATOM 981 N LYS A 66 2.944 -12.628 -24.714 1.00 31.35 N ATOM 982 CA LYS A 66 2.940 -11.843 -23.486 1.00 4.21 C ATOM 983 C LYS A 66 4.170 -10.946 -23.408 1.00 33.20 C ATOM 984 O LYS A 66 5.303 -11.429 -23.390 1.00 43.53 O ATOM 985 CB LYS A 66 2.892 -12.768 -22.267 1.00 33.10 C ATOM 986 CG LYS A 66 1.774 -13.793 -22.325 1.00 45.32 C ATOM 987 CD LYS A 66 0.409 -13.139 -22.181 1.00 0.22 C ATOM 988 CE LYS A 66 -0.501 -13.943 -21.266 1.00 22.21 C ATOM 989 NZ LYS A 66 -0.402 -13.494 -19.850 1.00 0.43 N ATOM 0 H LYS A 66 3.573 -13.431 -24.699 1.00 31.35 H new ATOM 0 HA LYS A 66 2.052 -11.211 -23.492 1.00 4.21 H new ATOM 0 HB2 LYS A 66 3.846 -13.288 -22.178 1.00 33.10 H new ATOM 0 HB3 LYS A 66 2.773 -12.164 -21.368 1.00 33.10 H new ATOM 0 HG2 LYS A 66 1.822 -14.332 -23.271 1.00 45.32 H new ATOM 0 HG3 LYS A 66 1.912 -14.528 -21.532 1.00 45.32 H new ATOM 0 HD2 LYS A 66 0.528 -12.131 -21.783 1.00 0.22 H new ATOM 0 HD3 LYS A 66 -0.054 -13.042 -23.163 1.00 0.22 H new ATOM 0 HE2 LYS A 66 -1.532 -13.848 -21.606 1.00 22.21 H new ATOM 0 HE3 LYS A 66 -0.240 -14.999 -21.331 1.00 22.21 H new ATOM 0 HZ1 LYS A 66 -1.038 -14.067 -19.259 1.00 0.43 H new ATOM 0 HZ2 LYS A 66 0.577 -13.608 -19.517 1.00 0.43 H new ATOM 0 HZ3 LYS A 66 -0.676 -12.493 -19.783 1.00 0.43 H new ATOM 1003 N TYR A 67 3.941 -9.638 -23.362 1.00 32.45 N ATOM 1004 CA TYR A 67 5.032 -8.673 -23.288 1.00 73.45 C ATOM 1005 C TYR A 67 5.022 -7.942 -21.950 1.00 41.44 C ATOM 1006 O TYR A 67 3.975 -7.793 -21.318 1.00 53.41 O ATOM 1007 CB TYR A 67 4.929 -7.666 -24.433 1.00 11.54 C ATOM 1008 CG TYR A 67 5.109 -8.283 -25.802 1.00 60.42 C ATOM 1009 CD1 TYR A 67 4.040 -8.869 -26.468 1.00 0.32 C ATOM 1010 CD2 TYR A 67 6.349 -8.281 -26.429 1.00 11.51 C ATOM 1011 CE1 TYR A 67 4.200 -9.435 -27.717 1.00 21.31 C ATOM 1012 CE2 TYR A 67 6.519 -8.843 -27.679 1.00 42.01 C ATOM 1013 CZ TYR A 67 5.442 -9.420 -28.320 1.00 45.33 C ATOM 1014 OH TYR A 67 5.605 -9.981 -29.565 1.00 63.43 O ATOM 0 H TYR A 67 3.010 -9.222 -23.375 1.00 32.45 H new ATOM 0 HA TYR A 67 5.972 -9.218 -23.377 1.00 73.45 H new ATOM 0 HB2 TYR A 67 3.956 -7.178 -24.389 1.00 11.54 H new ATOM 0 HB3 TYR A 67 5.682 -6.890 -24.292 1.00 11.54 H new ATOM 0 HD1 TYR A 67 3.067 -8.882 -26.000 1.00 0.32 H new ATOM 0 HD2 TYR A 67 7.195 -7.832 -25.930 1.00 11.51 H new ATOM 0 HE1 TYR A 67 3.358 -9.887 -28.220 1.00 21.31 H new ATOM 0 HE2 TYR A 67 7.490 -8.831 -28.152 1.00 42.01 H new ATOM 0 HH TYR A 67 5.457 -10.948 -29.510 1.00 63.43 H new ATOM 1024 N LYS A 68 6.195 -7.485 -21.523 1.00 64.41 N ATOM 1025 CA LYS A 68 6.323 -6.767 -20.260 1.00 33.24 C ATOM 1026 C LYS A 68 6.578 -5.283 -20.503 1.00 52.32 C ATOM 1027 O LYS A 68 7.655 -4.893 -20.954 1.00 30.02 O ATOM 1028 CB LYS A 68 7.460 -7.361 -19.425 1.00 13.33 C ATOM 1029 CG LYS A 68 7.343 -7.064 -17.941 1.00 40.50 C ATOM 1030 CD LYS A 68 8.293 -5.957 -17.516 1.00 13.44 C ATOM 1031 CE LYS A 68 8.364 -5.832 -16.002 1.00 31.11 C ATOM 1032 NZ LYS A 68 7.137 -5.202 -15.440 1.00 60.33 N ATOM 0 H LYS A 68 7.071 -7.599 -22.033 1.00 64.41 H new ATOM 0 HA LYS A 68 5.386 -6.873 -19.713 1.00 33.24 H new ATOM 0 HB2 LYS A 68 7.480 -8.441 -19.570 1.00 13.33 H new ATOM 0 HB3 LYS A 68 8.410 -6.972 -19.791 1.00 13.33 H new ATOM 0 HG2 LYS A 68 6.318 -6.775 -17.707 1.00 40.50 H new ATOM 0 HG3 LYS A 68 7.558 -7.968 -17.370 1.00 40.50 H new ATOM 0 HD2 LYS A 68 9.288 -6.159 -17.912 1.00 13.44 H new ATOM 0 HD3 LYS A 68 7.965 -5.010 -17.945 1.00 13.44 H new ATOM 0 HE2 LYS A 68 8.499 -6.820 -15.562 1.00 31.11 H new ATOM 0 HE3 LYS A 68 9.236 -5.238 -15.727 1.00 31.11 H new ATOM 0 HZ1 LYS A 68 7.224 -5.135 -14.406 1.00 60.33 H new ATOM 0 HZ2 LYS A 68 7.021 -4.249 -15.841 1.00 60.33 H new ATOM 0 HZ3 LYS A 68 6.308 -5.782 -15.681 1.00 60.33 H new ATOM 1046 N PHE A 69 5.581 -4.458 -20.199 1.00 20.40 N ATOM 1047 CA PHE A 69 5.697 -3.017 -20.384 1.00 54.34 C ATOM 1048 C PHE A 69 5.853 -2.307 -19.042 1.00 71.25 C ATOM 1049 O PHE A 69 5.479 -2.840 -17.998 1.00 34.24 O ATOM 1050 CB PHE A 69 4.471 -2.474 -21.120 1.00 20.14 C ATOM 1051 CG PHE A 69 4.446 -2.825 -22.581 1.00 65.10 C ATOM 1052 CD1 PHE A 69 5.216 -2.118 -23.489 1.00 32.35 C ATOM 1053 CD2 PHE A 69 3.650 -3.861 -23.044 1.00 14.13 C ATOM 1054 CE1 PHE A 69 5.195 -2.438 -24.835 1.00 71.22 C ATOM 1055 CE2 PHE A 69 3.626 -4.186 -24.388 1.00 1.30 C ATOM 1056 CZ PHE A 69 4.398 -3.473 -25.284 1.00 74.12 C ATOM 0 H PHE A 69 4.683 -4.764 -19.823 1.00 20.40 H new ATOM 0 HA PHE A 69 6.587 -2.825 -20.984 1.00 54.34 H new ATOM 0 HB2 PHE A 69 3.570 -2.863 -20.645 1.00 20.14 H new ATOM 0 HB3 PHE A 69 4.444 -1.389 -21.014 1.00 20.14 H new ATOM 0 HD1 PHE A 69 5.840 -1.307 -23.143 1.00 32.35 H new ATOM 0 HD2 PHE A 69 3.042 -4.420 -22.348 1.00 14.13 H new ATOM 0 HE1 PHE A 69 5.801 -1.880 -25.533 1.00 71.22 H new ATOM 0 HE2 PHE A 69 3.004 -4.997 -24.737 1.00 1.30 H new ATOM 0 HZ PHE A 69 4.379 -3.724 -26.334 1.00 74.12 H new ATOM 1066 N GLY A 70 6.411 -1.101 -19.078 1.00 1.41 N ATOM 1067 CA GLY A 70 6.607 -0.337 -17.860 1.00 43.13 C ATOM 1068 C GLY A 70 6.466 1.156 -18.081 1.00 24.02 C ATOM 1069 O GLY A 70 5.555 1.602 -18.779 1.00 15.34 O ATOM 0 H GLY A 70 6.731 -0.639 -19.929 1.00 1.41 H new ATOM 0 HA2 GLY A 70 5.883 -0.660 -17.112 1.00 43.13 H new ATOM 0 HA3 GLY A 70 7.597 -0.549 -17.457 1.00 43.13 H new ATOM 1073 N ARG A 71 7.366 1.929 -17.484 1.00 63.14 N ATOM 1074 CA ARG A 71 7.335 3.380 -17.617 1.00 51.32 C ATOM 1075 C ARG A 71 7.813 3.810 -19.000 1.00 5.44 C ATOM 1076 O ARG A 71 8.636 3.136 -19.621 1.00 44.24 O ATOM 1077 CB ARG A 71 8.206 4.031 -16.540 1.00 2.13 C ATOM 1078 CG ARG A 71 8.107 3.352 -15.184 1.00 34.52 C ATOM 1079 CD ARG A 71 7.952 4.367 -14.062 1.00 40.21 C ATOM 1080 NE ARG A 71 9.243 4.834 -13.565 1.00 45.23 N ATOM 1081 CZ ARG A 71 10.042 4.104 -12.794 1.00 0.22 C ATOM 1082 NH1 ARG A 71 9.684 2.879 -12.435 1.00 31.14 N ATOM 1083 NH2 ARG A 71 11.201 4.600 -12.381 1.00 71.22 N ATOM 0 H ARG A 71 8.126 1.575 -16.903 1.00 63.14 H new ATOM 0 HA ARG A 71 6.304 3.709 -17.489 1.00 51.32 H new ATOM 0 HB2 ARG A 71 9.245 4.018 -16.868 1.00 2.13 H new ATOM 0 HB3 ARG A 71 7.918 5.077 -16.435 1.00 2.13 H new ATOM 0 HG2 ARG A 71 7.257 2.670 -15.179 1.00 34.52 H new ATOM 0 HG3 ARG A 71 8.999 2.751 -15.011 1.00 34.52 H new ATOM 0 HD2 ARG A 71 7.372 5.218 -14.420 1.00 40.21 H new ATOM 0 HD3 ARG A 71 7.389 3.919 -13.243 1.00 40.21 H new ATOM 0 HE ARG A 71 9.548 5.772 -13.824 1.00 45.23 H new ATOM 0 HH11 ARG A 71 8.793 2.495 -12.751 1.00 31.14 H new ATOM 0 HH12 ARG A 71 10.299 2.321 -11.843 1.00 31.14 H new ATOM 0 HH21 ARG A 71 11.479 5.542 -12.655 1.00 71.22 H new ATOM 0 HH22 ARG A 71 11.814 4.039 -11.789 1.00 71.22 H new ATOM 1097 N TRP A 72 7.291 4.934 -19.478 1.00 23.43 N ATOM 1098 CA TRP A 72 7.664 5.453 -20.790 1.00 60.45 C ATOM 1099 C TRP A 72 8.880 6.367 -20.688 1.00 63.34 C ATOM 1100 O TRP A 72 9.065 7.262 -21.510 1.00 33.35 O ATOM 1101 CB TRP A 72 6.491 6.210 -21.413 1.00 10.55 C ATOM 1102 CG TRP A 72 5.493 5.316 -22.082 1.00 64.34 C ATOM 1103 CD1 TRP A 72 4.297 4.895 -21.571 1.00 53.41 C ATOM 1104 CD2 TRP A 72 5.604 4.729 -23.383 1.00 63.32 C ATOM 1105 NE1 TRP A 72 3.660 4.082 -22.476 1.00 3.22 N ATOM 1106 CE2 TRP A 72 4.439 3.965 -23.596 1.00 60.53 C ATOM 1107 CE3 TRP A 72 6.572 4.775 -24.389 1.00 55.01 C ATOM 1108 CZ2 TRP A 72 4.221 3.254 -24.773 1.00 3.43 C ATOM 1109 CZ3 TRP A 72 6.354 4.069 -25.556 1.00 73.01 C ATOM 1110 CH2 TRP A 72 5.186 3.318 -25.742 1.00 41.42 C ATOM 0 H TRP A 72 6.609 5.503 -18.977 1.00 23.43 H new ATOM 0 HA TRP A 72 7.922 4.608 -21.428 1.00 60.45 H new ATOM 0 HB2 TRP A 72 5.988 6.787 -20.637 1.00 10.55 H new ATOM 0 HB3 TRP A 72 6.875 6.923 -22.142 1.00 10.55 H new ATOM 0 HD1 TRP A 72 3.910 5.162 -20.599 1.00 53.41 H new ATOM 0 HE1 TRP A 72 2.753 3.637 -22.336 1.00 3.22 H new ATOM 0 HE3 TRP A 72 7.475 5.352 -24.257 1.00 55.01 H new ATOM 0 HZ2 TRP A 72 3.322 2.672 -24.917 1.00 3.43 H new ATOM 0 HZ3 TRP A 72 7.097 4.096 -26.339 1.00 73.01 H new ATOM 0 HH2 TRP A 72 5.044 2.779 -26.667 1.00 41.42 H new ATOM 1121 N ALA A 73 9.706 6.134 -19.672 1.00 5.42 N ATOM 1122 CA ALA A 73 10.905 6.937 -19.464 1.00 32.52 C ATOM 1123 C ALA A 73 10.575 8.426 -19.447 1.00 64.54 C ATOM 1124 O ALA A 73 9.407 8.810 -19.489 1.00 10.20 O ATOM 1125 CB ALA A 73 11.935 6.635 -20.545 1.00 43.34 C ATOM 0 H ALA A 73 9.567 5.397 -18.981 1.00 5.42 H new ATOM 0 HA ALA A 73 11.324 6.675 -18.492 1.00 32.52 H new ATOM 0 HB1 ALA A 73 12.826 7.241 -20.378 1.00 43.34 H new ATOM 0 HB2 ALA A 73 12.202 5.579 -20.508 1.00 43.34 H new ATOM 0 HB3 ALA A 73 11.515 6.869 -21.523 1.00 43.34 H new ATOM 1131 N GLU A 74 11.610 9.256 -19.383 1.00 12.20 N ATOM 1132 CA GLU A 74 11.427 10.702 -19.357 1.00 53.20 C ATOM 1133 C GLU A 74 11.080 11.231 -20.746 1.00 1.31 C ATOM 1134 O GLU A 74 11.086 10.486 -21.727 1.00 42.33 O ATOM 1135 CB GLU A 74 12.693 11.389 -18.840 1.00 41.32 C ATOM 1136 CG GLU A 74 13.135 10.901 -17.471 1.00 63.14 C ATOM 1137 CD GLU A 74 12.287 11.465 -16.349 1.00 44.14 C ATOM 1138 OE1 GLU A 74 11.193 10.915 -16.098 1.00 13.22 O ATOM 1139 OE2 GLU A 74 12.715 12.456 -15.720 1.00 22.34 O ATOM 0 H GLU A 74 12.583 8.953 -19.348 1.00 12.20 H new ATOM 0 HA GLU A 74 10.599 10.926 -18.684 1.00 53.20 H new ATOM 0 HB2 GLU A 74 13.501 11.226 -19.553 1.00 41.32 H new ATOM 0 HB3 GLU A 74 12.520 12.464 -18.795 1.00 41.32 H new ATOM 0 HG2 GLU A 74 13.088 9.812 -17.445 1.00 63.14 H new ATOM 0 HG3 GLU A 74 14.176 11.179 -17.309 1.00 63.14 H new ATOM 1146 N CYS A 75 10.776 12.522 -20.822 1.00 1.42 N ATOM 1147 CA CYS A 75 10.424 13.153 -22.088 1.00 11.05 C ATOM 1148 C CYS A 75 11.646 13.807 -22.728 1.00 2.44 C ATOM 1149 O CYS A 75 12.171 14.797 -22.218 1.00 2.25 O ATOM 1150 CB CYS A 75 9.326 14.196 -21.875 1.00 53.13 C ATOM 1151 SG CYS A 75 7.699 13.490 -21.459 1.00 63.42 S ATOM 0 H CYS A 75 10.766 13.153 -20.020 1.00 1.42 H new ATOM 0 HA CYS A 75 10.054 12.379 -22.760 1.00 11.05 H new ATOM 0 HB2 CYS A 75 9.632 14.872 -21.076 1.00 53.13 H new ATOM 0 HB3 CYS A 75 9.229 14.796 -22.780 1.00 53.13 H new ATOM 1157 N ASP A 76 12.091 13.247 -23.848 1.00 54.42 N ATOM 1158 CA ASP A 76 13.249 13.776 -24.558 1.00 54.14 C ATOM 1159 C ASP A 76 12.875 15.020 -25.357 1.00 14.35 C ATOM 1160 O ASP A 76 12.032 14.967 -26.253 1.00 20.44 O ATOM 1161 CB ASP A 76 13.832 12.713 -25.490 1.00 5.11 C ATOM 1162 CG ASP A 76 15.232 12.293 -25.087 1.00 13.43 C ATOM 1163 OD1 ASP A 76 15.542 12.344 -23.878 1.00 23.10 O ATOM 1164 OD2 ASP A 76 16.017 11.914 -25.980 1.00 51.00 O ATOM 0 H ASP A 76 11.667 12.427 -24.283 1.00 54.42 H new ATOM 0 HA ASP A 76 14.001 14.053 -23.819 1.00 54.14 H new ATOM 0 HB2 ASP A 76 13.180 11.839 -25.492 1.00 5.11 H new ATOM 0 HB3 ASP A 76 13.851 13.099 -26.509 1.00 5.11 H new ATOM 1169 N THR A 77 13.506 16.143 -25.025 1.00 32.53 N ATOM 1170 CA THR A 77 13.238 17.401 -25.710 1.00 11.14 C ATOM 1171 C THR A 77 13.783 17.380 -27.134 1.00 64.12 C ATOM 1172 O THR A 77 13.314 18.118 -28.001 1.00 72.13 O ATOM 1173 CB THR A 77 13.855 18.594 -24.955 1.00 22.21 C ATOM 1174 OG1 THR A 77 15.282 18.556 -25.062 1.00 53.54 O ATOM 1175 CG2 THR A 77 13.449 18.574 -23.488 1.00 20.44 C ATOM 0 H THR A 77 14.206 16.206 -24.286 1.00 32.53 H new ATOM 0 HA THR A 77 12.155 17.519 -25.740 1.00 11.14 H new ATOM 0 HB THR A 77 13.482 19.514 -25.406 1.00 22.21 H new ATOM 0 HG1 THR A 77 15.667 19.318 -24.581 1.00 53.54 H new ATOM 0 HG21 THR A 77 13.896 19.425 -22.975 1.00 20.44 H new ATOM 0 HG22 THR A 77 12.363 18.633 -23.410 1.00 20.44 H new ATOM 0 HG23 THR A 77 13.796 17.649 -23.027 1.00 20.44 H new ATOM 1183 N THR A 78 14.775 16.528 -27.370 1.00 64.11 N ATOM 1184 CA THR A 78 15.384 16.409 -28.689 1.00 40.40 C ATOM 1185 C THR A 78 14.329 16.168 -29.762 1.00 24.54 C ATOM 1186 O THR A 78 14.002 17.064 -30.541 1.00 55.21 O ATOM 1187 CB THR A 78 16.415 15.266 -28.733 1.00 65.24 C ATOM 1188 OG1 THR A 78 16.308 14.466 -27.551 1.00 64.43 O ATOM 1189 CG2 THR A 78 17.829 15.816 -28.851 1.00 23.15 C ATOM 0 H THR A 78 15.174 15.909 -26.664 1.00 64.11 H new ATOM 0 HA THR A 78 15.892 17.353 -28.888 1.00 40.40 H new ATOM 0 HB THR A 78 16.207 14.652 -29.609 1.00 65.24 H new ATOM 0 HG1 THR A 78 16.218 13.523 -27.801 1.00 64.43 H new ATOM 0 HG21 THR A 78 18.539 14.990 -28.880 1.00 23.15 H new ATOM 0 HG22 THR A 78 17.916 16.402 -29.766 1.00 23.15 H new ATOM 0 HG23 THR A 78 18.046 16.450 -27.992 1.00 23.15 H new ATOM 1197 N THR A 79 13.797 14.950 -29.799 1.00 1.10 N ATOM 1198 CA THR A 79 12.778 14.590 -30.777 1.00 23.14 C ATOM 1199 C THR A 79 11.377 14.827 -30.225 1.00 44.54 C ATOM 1200 O THR A 79 10.387 14.704 -30.944 1.00 63.15 O ATOM 1201 CB THR A 79 12.906 13.116 -31.205 1.00 63.20 C ATOM 1202 OG1 THR A 79 11.821 12.761 -32.069 1.00 63.33 O ATOM 1203 CG2 THR A 79 12.916 12.199 -29.991 1.00 25.11 C ATOM 0 H THR A 79 14.055 14.196 -29.162 1.00 1.10 H new ATOM 0 HA THR A 79 12.936 15.228 -31.646 1.00 23.14 H new ATOM 0 HB THR A 79 13.849 12.996 -31.739 1.00 63.20 H new ATOM 0 HG1 THR A 79 11.177 13.499 -32.105 1.00 63.33 H new ATOM 0 HG21 THR A 79 13.007 11.163 -30.318 1.00 25.11 H new ATOM 0 HG22 THR A 79 13.760 12.453 -29.350 1.00 25.11 H new ATOM 0 HG23 THR A 79 11.988 12.323 -29.434 1.00 25.11 H new ATOM 1211 N GLY A 80 11.302 15.169 -28.942 1.00 4.03 N ATOM 1212 CA GLY A 80 10.016 15.419 -28.315 1.00 34.20 C ATOM 1213 C GLY A 80 9.282 14.139 -27.969 1.00 32.22 C ATOM 1214 O GLY A 80 8.156 14.175 -27.471 1.00 55.54 O ATOM 0 H GLY A 80 12.108 15.277 -28.326 1.00 4.03 H new ATOM 0 HA2 GLY A 80 10.165 16.005 -27.408 1.00 34.20 H new ATOM 0 HA3 GLY A 80 9.399 16.019 -28.984 1.00 34.20 H new ATOM 1218 N THR A 81 9.919 13.002 -28.234 1.00 5.34 N ATOM 1219 CA THR A 81 9.318 11.706 -27.951 1.00 43.05 C ATOM 1220 C THR A 81 10.300 10.791 -27.228 1.00 41.43 C ATOM 1221 O THR A 81 11.515 10.947 -27.352 1.00 42.12 O ATOM 1222 CB THR A 81 8.842 11.012 -29.241 1.00 24.13 C ATOM 1223 OG1 THR A 81 9.971 10.604 -30.023 1.00 61.11 O ATOM 1224 CG2 THR A 81 7.960 11.941 -30.061 1.00 52.02 C ATOM 0 H THR A 81 10.852 12.954 -28.644 1.00 5.34 H new ATOM 0 HA THR A 81 8.457 11.891 -27.309 1.00 43.05 H new ATOM 0 HB THR A 81 8.258 10.135 -28.962 1.00 24.13 H new ATOM 0 HG1 THR A 81 9.660 10.162 -30.841 1.00 61.11 H new ATOM 0 HG21 THR A 81 7.636 11.429 -30.967 1.00 52.02 H new ATOM 0 HG22 THR A 81 7.087 12.227 -29.474 1.00 52.02 H new ATOM 0 HG23 THR A 81 8.524 12.834 -30.331 1.00 52.02 H new ATOM 1232 N ARG A 82 9.767 9.835 -26.473 1.00 2.14 N ATOM 1233 CA ARG A 82 10.597 8.895 -25.730 1.00 14.02 C ATOM 1234 C ARG A 82 10.351 7.464 -26.198 1.00 12.44 C ATOM 1235 O ARG A 82 9.246 7.120 -26.618 1.00 24.21 O ATOM 1236 CB ARG A 82 10.317 9.010 -24.231 1.00 22.42 C ATOM 1237 CG ARG A 82 11.218 8.134 -23.375 1.00 53.41 C ATOM 1238 CD ARG A 82 12.684 8.493 -23.562 1.00 22.14 C ATOM 1239 NE ARG A 82 13.459 7.371 -24.085 1.00 13.04 N ATOM 1240 CZ ARG A 82 14.710 7.481 -24.519 1.00 34.42 C ATOM 1241 NH1 ARG A 82 15.324 8.656 -24.492 1.00 12.01 N ATOM 1242 NH2 ARG A 82 15.349 6.414 -24.982 1.00 74.21 N ATOM 0 H ARG A 82 8.763 9.692 -26.360 1.00 2.14 H new ATOM 0 HA ARG A 82 11.642 9.144 -25.917 1.00 14.02 H new ATOM 0 HB2 ARG A 82 10.438 10.049 -23.926 1.00 22.42 H new ATOM 0 HB3 ARG A 82 9.278 8.742 -24.042 1.00 22.42 H new ATOM 0 HG2 ARG A 82 10.946 8.246 -22.325 1.00 53.41 H new ATOM 0 HG3 ARG A 82 11.063 7.087 -23.635 1.00 53.41 H new ATOM 0 HD2 ARG A 82 12.766 9.339 -24.244 1.00 22.14 H new ATOM 0 HD3 ARG A 82 13.104 8.811 -22.608 1.00 22.14 H new ATOM 0 HE ARG A 82 13.016 6.453 -24.119 1.00 13.04 H new ATOM 0 HH11 ARG A 82 14.836 9.478 -24.137 1.00 12.01 H new ATOM 0 HH12 ARG A 82 16.284 8.737 -24.826 1.00 12.01 H new ATOM 0 HH21 ARG A 82 14.880 5.509 -25.005 1.00 74.21 H new ATOM 0 HH22 ARG A 82 16.309 6.499 -25.315 1.00 74.21 H new ATOM 1256 N SER A 83 11.386 6.635 -26.122 1.00 71.23 N ATOM 1257 CA SER A 83 11.283 5.242 -26.541 1.00 12.30 C ATOM 1258 C SER A 83 11.283 4.310 -25.334 1.00 4.32 C ATOM 1259 O SER A 83 11.976 4.555 -24.346 1.00 12.32 O ATOM 1260 CB SER A 83 12.439 4.882 -27.477 1.00 34.04 C ATOM 1261 OG SER A 83 13.691 5.152 -26.869 1.00 3.22 O ATOM 0 H SER A 83 12.306 6.903 -25.774 1.00 71.23 H new ATOM 0 HA SER A 83 10.340 5.118 -27.074 1.00 12.30 H new ATOM 0 HB2 SER A 83 12.380 3.827 -27.743 1.00 34.04 H new ATOM 0 HB3 SER A 83 12.351 5.450 -28.403 1.00 34.04 H new ATOM 0 HG SER A 83 14.413 4.912 -27.487 1.00 3.22 H new ATOM 1267 N ARG A 84 10.500 3.240 -25.421 1.00 3.14 N ATOM 1268 CA ARG A 84 10.407 2.271 -24.336 1.00 42.31 C ATOM 1269 C ARG A 84 10.741 0.866 -24.830 1.00 14.53 C ATOM 1270 O ARG A 84 10.410 0.500 -25.958 1.00 30.11 O ATOM 1271 CB ARG A 84 9.003 2.288 -23.727 1.00 1.13 C ATOM 1272 CG ARG A 84 8.994 2.146 -22.213 1.00 14.12 C ATOM 1273 CD ARG A 84 8.893 0.689 -21.791 1.00 25.31 C ATOM 1274 NE ARG A 84 9.069 0.523 -20.351 1.00 21.31 N ATOM 1275 CZ ARG A 84 10.228 0.700 -19.727 1.00 2.20 C ATOM 1276 NH1 ARG A 84 11.307 1.047 -20.412 1.00 33.32 N ATOM 1277 NH2 ARG A 84 10.307 0.531 -18.413 1.00 73.14 N ATOM 0 H ARG A 84 9.921 3.022 -26.232 1.00 3.14 H new ATOM 0 HA ARG A 84 11.132 2.550 -23.571 1.00 42.31 H new ATOM 0 HB2 ARG A 84 8.509 3.221 -23.999 1.00 1.13 H new ATOM 0 HB3 ARG A 84 8.417 1.479 -24.163 1.00 1.13 H new ATOM 0 HG2 ARG A 84 9.903 2.583 -21.800 1.00 14.12 H new ATOM 0 HG3 ARG A 84 8.155 2.705 -21.799 1.00 14.12 H new ATOM 0 HD2 ARG A 84 7.921 0.293 -22.085 1.00 25.31 H new ATOM 0 HD3 ARG A 84 9.648 0.106 -22.318 1.00 25.31 H new ATOM 0 HE ARG A 84 8.257 0.256 -19.794 1.00 21.31 H new ATOM 0 HH11 ARG A 84 11.249 1.179 -21.422 1.00 33.32 H new ATOM 0 HH12 ARG A 84 12.196 1.182 -19.930 1.00 33.32 H new ATOM 0 HH21 ARG A 84 9.478 0.265 -17.882 1.00 73.14 H new ATOM 0 HH22 ARG A 84 11.197 0.667 -17.934 1.00 73.14 H new ATOM 1291 N SER A 85 11.399 0.086 -23.980 1.00 31.40 N ATOM 1292 CA SER A 85 11.782 -1.276 -24.332 1.00 41.20 C ATOM 1293 C SER A 85 11.039 -2.290 -23.468 1.00 72.43 C ATOM 1294 O SER A 85 11.089 -2.232 -22.240 1.00 1.52 O ATOM 1295 CB SER A 85 13.292 -1.462 -24.172 1.00 74.25 C ATOM 1296 OG SER A 85 13.679 -2.789 -24.481 1.00 24.01 O ATOM 0 H SER A 85 11.678 0.374 -23.042 1.00 31.40 H new ATOM 0 HA SER A 85 11.511 -1.445 -25.374 1.00 41.20 H new ATOM 0 HB2 SER A 85 13.818 -0.765 -24.825 1.00 74.25 H new ATOM 0 HB3 SER A 85 13.584 -1.224 -23.149 1.00 74.25 H new ATOM 0 HG SER A 85 14.649 -2.881 -24.372 1.00 24.01 H new ATOM 1302 N GLY A 86 10.349 -3.221 -24.119 1.00 21.24 N ATOM 1303 CA GLY A 86 9.604 -4.236 -23.396 1.00 13.34 C ATOM 1304 C GLY A 86 10.187 -5.623 -23.579 1.00 32.20 C ATOM 1305 O GLY A 86 10.800 -5.918 -24.606 1.00 22.03 O ATOM 0 H GLY A 86 10.292 -3.291 -25.135 1.00 21.24 H new ATOM 0 HA2 GLY A 86 9.593 -3.987 -22.335 1.00 13.34 H new ATOM 0 HA3 GLY A 86 8.568 -4.233 -23.735 1.00 13.34 H new ATOM 1309 N THR A 87 9.997 -6.479 -22.579 1.00 33.32 N ATOM 1310 CA THR A 87 10.511 -7.842 -22.633 1.00 21.40 C ATOM 1311 C THR A 87 9.380 -8.860 -22.547 1.00 4.43 C ATOM 1312 O THR A 87 8.582 -8.839 -21.608 1.00 0.54 O ATOM 1313 CB THR A 87 11.514 -8.110 -21.495 1.00 21.05 C ATOM 1314 OG1 THR A 87 11.201 -7.290 -20.363 1.00 62.33 O ATOM 1315 CG2 THR A 87 12.938 -7.829 -21.952 1.00 33.44 C ATOM 0 H THR A 87 9.491 -6.252 -21.723 1.00 33.32 H new ATOM 0 HA THR A 87 11.021 -7.949 -23.590 1.00 21.40 H new ATOM 0 HB THR A 87 11.439 -9.161 -21.214 1.00 21.05 H new ATOM 0 HG1 THR A 87 11.842 -7.467 -19.643 1.00 62.33 H new ATOM 0 HG21 THR A 87 13.629 -8.025 -21.132 1.00 33.44 H new ATOM 0 HG22 THR A 87 13.183 -8.474 -22.795 1.00 33.44 H new ATOM 0 HG23 THR A 87 13.023 -6.786 -22.256 1.00 33.44 H new ATOM 1323 N LEU A 88 9.314 -9.750 -23.531 1.00 31.11 N ATOM 1324 CA LEU A 88 8.280 -10.777 -23.566 1.00 24.13 C ATOM 1325 C LEU A 88 8.821 -12.113 -23.066 1.00 35.21 C ATOM 1326 O LEU A 88 9.965 -12.474 -23.343 1.00 54.12 O ATOM 1327 CB LEU A 88 7.737 -10.934 -24.988 1.00 62.30 C ATOM 1328 CG LEU A 88 7.758 -12.351 -25.562 1.00 73.24 C ATOM 1329 CD1 LEU A 88 6.515 -12.607 -26.400 1.00 13.43 C ATOM 1330 CD2 LEU A 88 9.016 -12.571 -26.389 1.00 31.55 C ATOM 0 H LEU A 88 9.965 -9.781 -24.316 1.00 31.11 H new ATOM 0 HA LEU A 88 7.470 -10.464 -22.907 1.00 24.13 H new ATOM 0 HB2 LEU A 88 6.709 -10.572 -25.005 1.00 62.30 H new ATOM 0 HB3 LEU A 88 8.314 -10.287 -25.649 1.00 62.30 H new ATOM 0 HG LEU A 88 7.763 -13.059 -24.733 1.00 73.24 H new ATOM 0 HD11 LEU A 88 6.548 -13.620 -26.800 1.00 13.43 H new ATOM 0 HD12 LEU A 88 5.627 -12.491 -25.779 1.00 13.43 H new ATOM 0 HD13 LEU A 88 6.478 -11.893 -27.223 1.00 13.43 H new ATOM 0 HD21 LEU A 88 9.015 -13.584 -26.790 1.00 31.55 H new ATOM 0 HD22 LEU A 88 9.041 -11.855 -27.211 1.00 31.55 H new ATOM 0 HD23 LEU A 88 9.895 -12.431 -25.759 1.00 31.55 H new ATOM 1342 N LYS A 89 7.991 -12.844 -22.330 1.00 3.51 N ATOM 1343 CA LYS A 89 8.384 -14.142 -21.794 1.00 20.11 C ATOM 1344 C LYS A 89 7.667 -15.272 -22.526 1.00 10.11 C ATOM 1345 O LYS A 89 8.303 -16.181 -23.061 1.00 54.12 O ATOM 1346 CB LYS A 89 8.075 -14.213 -20.297 1.00 51.33 C ATOM 1347 CG LYS A 89 9.100 -15.002 -19.501 1.00 13.11 C ATOM 1348 CD LYS A 89 8.502 -15.562 -18.222 1.00 4.20 C ATOM 1349 CE LYS A 89 9.361 -16.678 -17.647 1.00 12.31 C ATOM 1350 NZ LYS A 89 8.693 -18.005 -17.757 1.00 31.14 N ATOM 0 H LYS A 89 7.041 -12.559 -22.091 1.00 3.51 H new ATOM 0 HA LYS A 89 9.457 -14.259 -21.943 1.00 20.11 H new ATOM 0 HB2 LYS A 89 8.019 -13.200 -19.898 1.00 51.33 H new ATOM 0 HB3 LYS A 89 7.093 -14.665 -20.158 1.00 51.33 H new ATOM 0 HG2 LYS A 89 9.486 -15.819 -20.111 1.00 13.11 H new ATOM 0 HG3 LYS A 89 9.946 -14.359 -19.257 1.00 13.11 H new ATOM 0 HD2 LYS A 89 8.401 -14.764 -17.487 1.00 4.20 H new ATOM 0 HD3 LYS A 89 7.499 -15.940 -18.423 1.00 4.20 H new ATOM 0 HE2 LYS A 89 10.316 -16.708 -18.171 1.00 12.31 H new ATOM 0 HE3 LYS A 89 9.578 -16.466 -16.600 1.00 12.31 H new ATOM 0 HZ1 LYS A 89 9.310 -18.739 -17.354 1.00 31.14 H new ATOM 0 HZ2 LYS A 89 7.793 -17.985 -17.236 1.00 31.14 H new ATOM 0 HZ3 LYS A 89 8.509 -18.219 -18.758 1.00 31.14 H new ATOM 1364 N LYS A 90 6.340 -15.209 -22.548 1.00 40.13 N ATOM 1365 CA LYS A 90 5.537 -16.226 -23.217 1.00 22.01 C ATOM 1366 C LYS A 90 5.457 -15.957 -24.716 1.00 52.01 C ATOM 1367 O LYS A 90 5.062 -14.872 -25.142 1.00 61.22 O ATOM 1368 CB LYS A 90 4.128 -16.265 -22.619 1.00 34.14 C ATOM 1369 CG LYS A 90 3.965 -17.294 -21.514 1.00 52.55 C ATOM 1370 CD LYS A 90 3.177 -18.503 -21.988 1.00 73.02 C ATOM 1371 CE LYS A 90 3.941 -19.796 -21.745 1.00 3.40 C ATOM 1372 NZ LYS A 90 3.024 -20.940 -21.483 1.00 33.21 N ATOM 0 H LYS A 90 5.798 -14.464 -22.110 1.00 40.13 H new ATOM 0 HA LYS A 90 6.018 -17.192 -23.065 1.00 22.01 H new ATOM 0 HB2 LYS A 90 3.882 -15.279 -22.225 1.00 34.14 H new ATOM 0 HB3 LYS A 90 3.412 -16.479 -23.412 1.00 34.14 H new ATOM 0 HG2 LYS A 90 4.947 -17.613 -21.165 1.00 52.55 H new ATOM 0 HG3 LYS A 90 3.457 -16.839 -20.664 1.00 52.55 H new ATOM 0 HD2 LYS A 90 2.220 -18.541 -21.468 1.00 73.02 H new ATOM 0 HD3 LYS A 90 2.959 -18.402 -23.051 1.00 73.02 H new ATOM 0 HE2 LYS A 90 4.562 -20.020 -22.612 1.00 3.40 H new ATOM 0 HE3 LYS A 90 4.613 -19.667 -20.896 1.00 3.40 H new ATOM 0 HZ1 LYS A 90 3.582 -21.803 -21.322 1.00 33.21 H new ATOM 0 HZ2 LYS A 90 2.449 -20.738 -20.640 1.00 33.21 H new ATOM 0 HZ3 LYS A 90 2.400 -21.079 -22.303 1.00 33.21 H new ATOM 1386 N ALA A 91 5.835 -16.952 -25.511 1.00 24.13 N ATOM 1387 CA ALA A 91 5.803 -16.824 -26.963 1.00 22.44 C ATOM 1388 C ALA A 91 4.515 -17.405 -27.538 1.00 70.25 C ATOM 1389 O ALA A 91 3.709 -16.689 -28.132 1.00 34.33 O ATOM 1390 CB ALA A 91 7.014 -17.508 -27.580 1.00 23.21 C ATOM 0 H ALA A 91 6.167 -17.856 -25.174 1.00 24.13 H new ATOM 0 HA ALA A 91 5.834 -15.763 -27.210 1.00 22.44 H new ATOM 0 HB1 ALA A 91 6.977 -17.405 -28.664 1.00 23.21 H new ATOM 0 HB2 ALA A 91 7.925 -17.045 -27.202 1.00 23.21 H new ATOM 0 HB3 ALA A 91 7.008 -18.566 -27.316 1.00 23.21 H new ATOM 1396 N LEU A 92 4.327 -18.708 -27.356 1.00 13.10 N ATOM 1397 CA LEU A 92 3.137 -19.387 -27.857 1.00 12.22 C ATOM 1398 C LEU A 92 3.053 -19.289 -29.377 1.00 55.32 C ATOM 1399 O LEU A 92 3.768 -18.501 -29.999 1.00 23.34 O ATOM 1400 CB LEU A 92 1.879 -18.785 -27.226 1.00 75.43 C ATOM 1401 CG LEU A 92 1.914 -18.602 -25.709 1.00 45.41 C ATOM 1402 CD1 LEU A 92 0.913 -17.541 -25.278 1.00 50.22 C ATOM 1403 CD2 LEU A 92 1.630 -19.921 -25.006 1.00 73.14 C ATOM 0 H LEU A 92 4.983 -19.315 -26.865 1.00 13.10 H new ATOM 0 HA LEU A 92 3.207 -20.440 -27.582 1.00 12.22 H new ATOM 0 HB2 LEU A 92 1.695 -17.814 -27.685 1.00 75.43 H new ATOM 0 HB3 LEU A 92 1.030 -19.422 -27.476 1.00 75.43 H new ATOM 0 HG LEU A 92 2.912 -18.269 -25.425 1.00 45.41 H new ATOM 0 HD11 LEU A 92 0.951 -17.423 -24.195 1.00 50.22 H new ATOM 0 HD12 LEU A 92 1.160 -16.593 -25.755 1.00 50.22 H new ATOM 0 HD13 LEU A 92 -0.091 -17.846 -25.575 1.00 50.22 H new ATOM 0 HD21 LEU A 92 1.659 -19.772 -23.927 1.00 73.14 H new ATOM 0 HD22 LEU A 92 0.643 -20.283 -25.296 1.00 73.14 H new ATOM 0 HD23 LEU A 92 2.384 -20.655 -25.291 1.00 73.14 H new ATOM 1415 N PHE A 93 2.176 -20.091 -29.970 1.00 51.24 N ATOM 1416 CA PHE A 93 1.998 -20.094 -31.417 1.00 3.23 C ATOM 1417 C PHE A 93 3.341 -20.222 -32.130 1.00 4.33 C ATOM 1418 O PHE A 93 3.884 -19.239 -32.632 1.00 33.13 O ATOM 1419 CB PHE A 93 1.288 -18.815 -31.867 1.00 24.51 C ATOM 1420 CG PHE A 93 1.128 -18.711 -33.357 1.00 12.24 C ATOM 1421 CD1 PHE A 93 0.386 -19.650 -34.055 1.00 3.10 C ATOM 1422 CD2 PHE A 93 1.721 -17.674 -34.060 1.00 62.14 C ATOM 1423 CE1 PHE A 93 0.237 -19.556 -35.426 1.00 23.52 C ATOM 1424 CE2 PHE A 93 1.576 -17.576 -35.430 1.00 43.30 C ATOM 1425 CZ PHE A 93 0.834 -18.519 -36.114 1.00 2.24 C ATOM 0 H PHE A 93 1.577 -20.748 -29.470 1.00 51.24 H new ATOM 0 HA PHE A 93 1.383 -20.955 -31.681 1.00 3.23 H new ATOM 0 HB2 PHE A 93 0.304 -18.772 -31.400 1.00 24.51 H new ATOM 0 HB3 PHE A 93 1.849 -17.952 -31.509 1.00 24.51 H new ATOM 0 HD1 PHE A 93 -0.081 -20.465 -33.522 1.00 3.10 H new ATOM 0 HD2 PHE A 93 2.303 -16.934 -33.530 1.00 62.14 H new ATOM 0 HE1 PHE A 93 -0.346 -20.293 -35.958 1.00 23.52 H new ATOM 0 HE2 PHE A 93 2.042 -16.763 -35.966 1.00 43.30 H new ATOM 0 HZ PHE A 93 0.721 -18.445 -37.186 1.00 2.24 H new ATOM 1435 N ASN A 94 3.870 -21.440 -32.169 1.00 41.32 N ATOM 1436 CA ASN A 94 5.150 -21.697 -32.819 1.00 0.44 C ATOM 1437 C ASN A 94 6.307 -21.212 -31.951 1.00 32.44 C ATOM 1438 O ASN A 94 7.474 -21.376 -32.307 1.00 70.43 O ATOM 1439 CB ASN A 94 5.198 -21.010 -34.185 1.00 30.45 C ATOM 1440 CG ASN A 94 5.815 -21.891 -35.254 1.00 64.44 C ATOM 1441 OD1 ASN A 94 5.217 -22.879 -35.681 1.00 22.13 O ATOM 1442 ND2 ASN A 94 7.018 -21.537 -35.692 1.00 70.33 N ATOM 0 H ASN A 94 3.432 -22.265 -31.758 1.00 41.32 H new ATOM 0 HA ASN A 94 5.250 -22.773 -32.958 1.00 0.44 H new ATOM 0 HB2 ASN A 94 4.187 -20.733 -34.485 1.00 30.45 H new ATOM 0 HB3 ASN A 94 5.771 -20.086 -34.104 1.00 30.45 H new ATOM 0 HD21 ASN A 94 7.483 -22.092 -36.411 1.00 70.33 H new ATOM 0 HD22 ASN A 94 7.477 -20.710 -35.310 1.00 70.33 H new ATOM 1449 N ALA A 95 5.976 -20.613 -30.812 1.00 64.41 N ATOM 1450 CA ALA A 95 6.987 -20.107 -29.893 1.00 53.03 C ATOM 1451 C ALA A 95 8.080 -19.351 -30.642 1.00 62.14 C ATOM 1452 O ALA A 95 9.116 -19.919 -30.984 1.00 44.04 O ATOM 1453 CB ALA A 95 7.589 -21.250 -29.088 1.00 2.24 C ATOM 0 H ALA A 95 5.015 -20.466 -30.504 1.00 64.41 H new ATOM 0 HA ALA A 95 6.504 -19.410 -29.208 1.00 53.03 H new ATOM 0 HB1 ALA A 95 8.343 -20.857 -28.406 1.00 2.24 H new ATOM 0 HB2 ALA A 95 6.804 -21.745 -28.516 1.00 2.24 H new ATOM 0 HB3 ALA A 95 8.052 -21.968 -29.765 1.00 2.24 H new ATOM 1459 N GLU A 96 7.840 -18.067 -30.891 1.00 24.20 N ATOM 1460 CA GLU A 96 8.804 -17.236 -31.601 1.00 14.33 C ATOM 1461 C GLU A 96 8.324 -15.789 -31.674 1.00 30.31 C ATOM 1462 O GLU A 96 7.793 -15.350 -32.695 1.00 65.04 O ATOM 1463 CB GLU A 96 9.040 -17.779 -33.012 1.00 12.13 C ATOM 1464 CG GLU A 96 10.415 -17.451 -33.568 1.00 33.11 C ATOM 1465 CD GLU A 96 10.361 -16.944 -34.997 1.00 24.41 C ATOM 1466 OE1 GLU A 96 9.673 -17.577 -35.825 1.00 71.32 O ATOM 1467 OE2 GLU A 96 11.006 -15.916 -35.285 1.00 15.45 O ATOM 0 H GLU A 96 6.988 -17.581 -30.612 1.00 24.20 H new ATOM 0 HA GLU A 96 9.744 -17.262 -31.049 1.00 14.33 H new ATOM 0 HB2 GLU A 96 8.910 -18.861 -33.002 1.00 12.13 H new ATOM 0 HB3 GLU A 96 8.281 -17.373 -33.680 1.00 12.13 H new ATOM 0 HG2 GLU A 96 10.888 -16.698 -32.937 1.00 33.11 H new ATOM 0 HG3 GLU A 96 11.042 -18.342 -33.526 1.00 33.11 H new ATOM 1474 N CYS A 97 8.515 -15.052 -30.585 1.00 63.50 N ATOM 1475 CA CYS A 97 8.101 -13.656 -30.524 1.00 53.55 C ATOM 1476 C CYS A 97 9.272 -12.758 -30.133 1.00 51.11 C ATOM 1477 O CYS A 97 10.167 -13.175 -29.397 1.00 1.23 O ATOM 1478 CB CYS A 97 6.957 -13.484 -29.523 1.00 42.03 C ATOM 1479 SG CYS A 97 5.341 -13.143 -30.292 1.00 54.41 S ATOM 0 H CYS A 97 8.954 -15.399 -29.732 1.00 63.50 H new ATOM 0 HA CYS A 97 7.755 -13.363 -31.515 1.00 53.55 H new ATOM 0 HB2 CYS A 97 6.877 -14.389 -28.920 1.00 42.03 H new ATOM 0 HB3 CYS A 97 7.203 -12.669 -28.843 1.00 42.03 H new ATOM 1485 N GLN A 98 9.258 -11.526 -30.631 1.00 73.35 N ATOM 1486 CA GLN A 98 10.319 -10.571 -30.334 1.00 31.15 C ATOM 1487 C GLN A 98 10.445 -10.346 -28.831 1.00 2.32 C ATOM 1488 O GLN A 98 9.507 -9.881 -28.182 1.00 72.15 O ATOM 1489 CB GLN A 98 10.048 -9.241 -31.040 1.00 55.32 C ATOM 1490 CG GLN A 98 10.648 -9.160 -32.434 1.00 15.44 C ATOM 1491 CD GLN A 98 10.757 -10.515 -33.104 1.00 23.21 C ATOM 1492 OE1 GLN A 98 9.753 -11.106 -33.501 1.00 44.42 O ATOM 1493 NE2 GLN A 98 11.980 -11.016 -33.233 1.00 5.13 N ATOM 0 H GLN A 98 8.524 -11.166 -31.241 1.00 73.35 H new ATOM 0 HA GLN A 98 11.259 -10.985 -30.700 1.00 31.15 H new ATOM 0 HB2 GLN A 98 8.971 -9.088 -31.107 1.00 55.32 H new ATOM 0 HB3 GLN A 98 10.448 -8.429 -30.433 1.00 55.32 H new ATOM 0 HG2 GLN A 98 10.035 -8.503 -33.051 1.00 15.44 H new ATOM 0 HG3 GLN A 98 11.638 -8.709 -32.373 1.00 15.44 H new ATOM 0 HE21 GLN A 98 12.785 -10.492 -32.889 1.00 5.13 H new ATOM 0 HE22 GLN A 98 12.115 -11.925 -33.676 1.00 5.13 H new ATOM 1502 N THR A 99 11.608 -10.679 -28.283 1.00 74.13 N ATOM 1503 CA THR A 99 11.856 -10.515 -26.855 1.00 32.24 C ATOM 1504 C THR A 99 12.152 -9.059 -26.513 1.00 63.22 C ATOM 1505 O THR A 99 12.386 -8.719 -25.353 1.00 64.20 O ATOM 1506 CB THR A 99 13.033 -11.390 -26.385 1.00 31.53 C ATOM 1507 OG1 THR A 99 13.178 -11.294 -24.964 1.00 64.21 O ATOM 1508 CG2 THR A 99 14.328 -10.966 -27.062 1.00 41.21 C ATOM 0 H THR A 99 12.394 -11.064 -28.806 1.00 74.13 H new ATOM 0 HA THR A 99 10.950 -10.830 -26.338 1.00 32.24 H new ATOM 0 HB THR A 99 12.820 -12.423 -26.659 1.00 31.53 H new ATOM 0 HG1 THR A 99 12.968 -10.382 -24.675 1.00 64.21 H new ATOM 0 HG21 THR A 99 15.145 -11.599 -26.714 1.00 41.21 H new ATOM 0 HG22 THR A 99 14.224 -11.069 -28.142 1.00 41.21 H new ATOM 0 HG23 THR A 99 14.544 -9.926 -26.816 1.00 41.21 H new ATOM 1516 N THR A 100 12.137 -8.202 -27.529 1.00 71.03 N ATOM 1517 CA THR A 100 12.404 -6.782 -27.334 1.00 21.44 C ATOM 1518 C THR A 100 11.515 -5.929 -28.231 1.00 53.14 C ATOM 1519 O THR A 100 11.403 -6.181 -29.431 1.00 2.32 O ATOM 1520 CB THR A 100 13.879 -6.444 -27.621 1.00 74.23 C ATOM 1521 OG1 THR A 100 14.585 -7.625 -28.019 1.00 50.01 O ATOM 1522 CG2 THR A 100 14.544 -5.838 -26.394 1.00 73.52 C ATOM 0 H THR A 100 11.943 -8.466 -28.495 1.00 71.03 H new ATOM 0 HA THR A 100 12.184 -6.558 -26.290 1.00 21.44 H new ATOM 0 HB THR A 100 13.910 -5.714 -28.430 1.00 74.23 H new ATOM 0 HG1 THR A 100 15.521 -7.401 -28.201 1.00 50.01 H new ATOM 0 HG21 THR A 100 15.585 -5.608 -26.621 1.00 73.52 H new ATOM 0 HG22 THR A 100 14.023 -4.923 -26.112 1.00 73.52 H new ATOM 0 HG23 THR A 100 14.501 -6.549 -25.569 1.00 73.52 H new ATOM 1530 N ILE A 101 10.886 -4.918 -27.642 1.00 50.32 N ATOM 1531 CA ILE A 101 10.008 -4.025 -28.388 1.00 22.11 C ATOM 1532 C ILE A 101 10.572 -2.609 -28.433 1.00 71.32 C ATOM 1533 O ILE A 101 11.173 -2.138 -27.467 1.00 42.10 O ATOM 1534 CB ILE A 101 8.595 -3.984 -27.776 1.00 23.23 C ATOM 1535 CG1 ILE A 101 8.490 -4.972 -26.613 1.00 31.41 C ATOM 1536 CG2 ILE A 101 7.549 -4.294 -28.838 1.00 63.02 C ATOM 1537 CD1 ILE A 101 7.146 -4.947 -25.918 1.00 31.40 C ATOM 0 H ILE A 101 10.968 -4.697 -26.650 1.00 50.32 H new ATOM 0 HA ILE A 101 9.945 -4.420 -29.402 1.00 22.11 H new ATOM 0 HB ILE A 101 8.410 -2.980 -27.393 1.00 23.23 H new ATOM 0 HG12 ILE A 101 8.679 -5.979 -26.984 1.00 31.41 H new ATOM 0 HG13 ILE A 101 9.270 -4.749 -25.886 1.00 31.41 H new ATOM 0 HG21 ILE A 101 6.556 -4.261 -28.391 1.00 63.02 H new ATOM 0 HG22 ILE A 101 7.612 -3.555 -29.637 1.00 63.02 H new ATOM 0 HG23 ILE A 101 7.730 -5.288 -29.248 1.00 63.02 H new ATOM 0 HD11 ILE A 101 7.144 -5.672 -25.104 1.00 31.40 H new ATOM 0 HD12 ILE A 101 6.963 -3.950 -25.516 1.00 31.40 H new ATOM 0 HD13 ILE A 101 6.362 -5.200 -26.632 1.00 31.40 H new ATOM 1549 N LYS A 102 10.374 -1.935 -29.560 1.00 2.10 N ATOM 1550 CA LYS A 102 10.859 -0.570 -29.731 1.00 72.14 C ATOM 1551 C LYS A 102 9.712 0.378 -30.065 1.00 25.21 C ATOM 1552 O LYS A 102 9.372 0.569 -31.233 1.00 41.41 O ATOM 1553 CB LYS A 102 11.917 -0.519 -30.836 1.00 3.13 C ATOM 1554 CG LYS A 102 13.052 -1.507 -30.638 1.00 33.22 C ATOM 1555 CD LYS A 102 14.403 -0.809 -30.627 1.00 63.43 C ATOM 1556 CE LYS A 102 14.736 -0.219 -31.988 1.00 50.40 C ATOM 1557 NZ LYS A 102 16.081 -0.647 -32.464 1.00 22.21 N ATOM 0 H LYS A 102 9.881 -2.311 -30.370 1.00 2.10 H new ATOM 0 HA LYS A 102 11.308 -0.249 -28.791 1.00 72.14 H new ATOM 0 HB2 LYS A 102 11.438 -0.716 -31.795 1.00 3.13 H new ATOM 0 HB3 LYS A 102 12.329 0.489 -30.887 1.00 3.13 H new ATOM 0 HG2 LYS A 102 12.910 -2.042 -29.699 1.00 33.22 H new ATOM 0 HG3 LYS A 102 13.032 -2.250 -31.435 1.00 33.22 H new ATOM 0 HD2 LYS A 102 14.399 -0.018 -29.877 1.00 63.43 H new ATOM 0 HD3 LYS A 102 15.178 -1.519 -30.337 1.00 63.43 H new ATOM 0 HE2 LYS A 102 13.980 -0.525 -32.711 1.00 50.40 H new ATOM 0 HE3 LYS A 102 14.700 0.869 -31.931 1.00 50.40 H new ATOM 0 HZ1 LYS A 102 16.271 -0.224 -33.395 1.00 22.21 H new ATOM 0 HZ2 LYS A 102 16.805 -0.333 -31.787 1.00 22.21 H new ATOM 0 HZ3 LYS A 102 16.108 -1.684 -32.543 1.00 22.21 H new ATOM 1571 N VAL A 103 9.119 0.970 -29.033 1.00 73.52 N ATOM 1572 CA VAL A 103 8.012 1.900 -29.217 1.00 34.25 C ATOM 1573 C VAL A 103 8.439 3.331 -28.911 1.00 74.24 C ATOM 1574 O VAL A 103 9.416 3.558 -28.196 1.00 14.03 O ATOM 1575 CB VAL A 103 6.814 1.531 -28.324 1.00 62.12 C ATOM 1576 CG1 VAL A 103 6.069 0.335 -28.897 1.00 5.54 C ATOM 1577 CG2 VAL A 103 7.277 1.249 -26.903 1.00 44.05 C ATOM 0 H VAL A 103 9.387 0.822 -28.060 1.00 73.52 H new ATOM 0 HA VAL A 103 7.711 1.830 -30.262 1.00 34.25 H new ATOM 0 HB VAL A 103 6.128 2.378 -28.298 1.00 62.12 H new ATOM 0 HG11 VAL A 103 5.225 0.089 -28.252 1.00 5.54 H new ATOM 0 HG12 VAL A 103 5.704 0.578 -29.895 1.00 5.54 H new ATOM 0 HG13 VAL A 103 6.743 -0.520 -28.955 1.00 5.54 H new ATOM 0 HG21 VAL A 103 6.417 0.990 -26.285 1.00 44.05 H new ATOM 0 HG22 VAL A 103 7.984 0.419 -26.908 1.00 44.05 H new ATOM 0 HG23 VAL A 103 7.762 2.136 -26.496 1.00 44.05 H new ATOM 1587 N SER A 104 7.701 4.293 -29.454 1.00 32.22 N ATOM 1588 CA SER A 104 8.006 5.703 -29.241 1.00 44.34 C ATOM 1589 C SER A 104 6.732 6.544 -29.268 1.00 22.34 C ATOM 1590 O SER A 104 5.841 6.315 -30.086 1.00 42.24 O ATOM 1591 CB SER A 104 8.983 6.203 -30.306 1.00 51.15 C ATOM 1592 OG SER A 104 9.829 5.157 -30.752 1.00 32.51 O ATOM 0 H SER A 104 6.887 4.122 -30.045 1.00 32.22 H new ATOM 0 HA SER A 104 8.468 5.805 -28.259 1.00 44.34 H new ATOM 0 HB2 SER A 104 8.428 6.611 -31.151 1.00 51.15 H new ATOM 0 HB3 SER A 104 9.586 7.014 -29.899 1.00 51.15 H new ATOM 0 HG SER A 104 10.443 5.501 -31.433 1.00 32.51 H new ATOM 1598 N LYS A 105 6.655 7.519 -28.368 1.00 32.24 N ATOM 1599 CA LYS A 105 5.494 8.396 -28.289 1.00 44.50 C ATOM 1600 C LYS A 105 5.883 9.768 -27.749 1.00 34.23 C ATOM 1601 O LYS A 105 6.641 9.891 -26.787 1.00 73.01 O ATOM 1602 CB LYS A 105 4.418 7.772 -27.396 1.00 61.20 C ATOM 1603 CG LYS A 105 3.111 7.498 -28.119 1.00 43.31 C ATOM 1604 CD LYS A 105 2.067 8.556 -27.805 1.00 40.34 C ATOM 1605 CE LYS A 105 1.065 8.062 -26.773 1.00 63.03 C ATOM 1606 NZ LYS A 105 -0.186 8.870 -26.782 1.00 21.32 N ATOM 0 H LYS A 105 7.383 7.721 -27.683 1.00 32.24 H new ATOM 0 HA LYS A 105 5.096 8.521 -29.296 1.00 44.50 H new ATOM 0 HB2 LYS A 105 4.798 6.838 -26.983 1.00 61.20 H new ATOM 0 HB3 LYS A 105 4.225 8.438 -26.555 1.00 61.20 H new ATOM 0 HG2 LYS A 105 3.288 7.468 -29.194 1.00 43.31 H new ATOM 0 HG3 LYS A 105 2.734 6.517 -27.831 1.00 43.31 H new ATOM 0 HD2 LYS A 105 2.559 9.455 -27.434 1.00 40.34 H new ATOM 0 HD3 LYS A 105 1.542 8.833 -28.719 1.00 40.34 H new ATOM 0 HE2 LYS A 105 0.824 7.018 -26.972 1.00 63.03 H new ATOM 0 HE3 LYS A 105 1.516 8.102 -25.781 1.00 63.03 H new ATOM 0 HZ1 LYS A 105 -0.843 8.501 -26.065 1.00 21.32 H new ATOM 0 HZ2 LYS A 105 0.040 9.862 -26.567 1.00 21.32 H new ATOM 0 HZ3 LYS A 105 -0.630 8.812 -27.721 1.00 21.32 H new ATOM 1620 N PRO A 106 5.354 10.826 -28.381 1.00 14.33 N ATOM 1621 CA PRO A 106 5.632 12.208 -27.980 1.00 52.34 C ATOM 1622 C PRO A 106 4.993 12.564 -26.642 1.00 23.01 C ATOM 1623 O PRO A 106 3.803 12.328 -26.429 1.00 23.00 O ATOM 1624 CB PRO A 106 5.009 13.037 -29.107 1.00 62.42 C ATOM 1625 CG PRO A 106 3.941 12.166 -29.671 1.00 24.13 C ATOM 1626 CD PRO A 106 4.442 10.754 -29.535 1.00 12.31 C ATOM 0 HA PRO A 106 6.699 12.385 -27.841 1.00 52.34 H new ATOM 0 HB2 PRO A 106 4.598 13.973 -28.729 1.00 62.42 H new ATOM 0 HB3 PRO A 106 5.749 13.296 -29.864 1.00 62.42 H new ATOM 0 HG2 PRO A 106 3.003 12.301 -29.132 1.00 24.13 H new ATOM 0 HG3 PRO A 106 3.747 12.412 -30.715 1.00 24.13 H new ATOM 0 HD2 PRO A 106 3.626 10.053 -29.359 1.00 12.31 H new ATOM 0 HD3 PRO A 106 4.959 10.422 -30.436 1.00 12.31 H new ATOM 1634 N CYS A 107 5.788 13.132 -25.743 1.00 32.22 N ATOM 1635 CA CYS A 107 5.301 13.520 -24.425 1.00 12.21 C ATOM 1636 C CYS A 107 5.988 14.795 -23.944 1.00 13.34 C ATOM 1637 O CYS A 107 7.160 15.033 -24.241 1.00 72.23 O ATOM 1638 CB CYS A 107 5.534 12.392 -23.419 1.00 21.14 C ATOM 1639 SG CYS A 107 7.282 12.147 -22.968 1.00 43.31 S ATOM 0 H CYS A 107 6.775 13.334 -25.903 1.00 32.22 H new ATOM 0 HA CYS A 107 4.231 13.712 -24.504 1.00 12.21 H new ATOM 0 HB2 CYS A 107 4.963 12.602 -22.515 1.00 21.14 H new ATOM 0 HB3 CYS A 107 5.143 11.463 -23.834 1.00 21.14 H new ATOM 1645 N THR A 108 5.251 15.614 -23.200 1.00 75.44 N ATOM 1646 CA THR A 108 5.789 16.864 -22.678 1.00 43.01 C ATOM 1647 C THR A 108 6.294 16.693 -21.250 1.00 24.12 C ATOM 1648 O THR A 108 5.760 15.907 -20.467 1.00 23.12 O ATOM 1649 CB THR A 108 4.732 17.985 -22.706 1.00 22.23 C ATOM 1650 OG1 THR A 108 3.593 17.603 -21.928 1.00 65.22 O ATOM 1651 CG2 THR A 108 4.300 18.285 -24.134 1.00 51.33 C ATOM 0 H THR A 108 4.280 15.434 -22.945 1.00 75.44 H new ATOM 0 HA THR A 108 6.622 17.143 -23.323 1.00 43.01 H new ATOM 0 HB THR A 108 5.176 18.885 -22.281 1.00 22.23 H new ATOM 0 HG1 THR A 108 2.927 18.321 -21.949 1.00 65.22 H new ATOM 0 HG21 THR A 108 3.554 19.079 -24.129 1.00 51.33 H new ATOM 0 HG22 THR A 108 5.165 18.603 -24.716 1.00 51.33 H new ATOM 0 HG23 THR A 108 3.872 17.388 -24.581 1.00 51.33 H new