USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 665 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 76 ASN : amide:sc= -1.67! C(o=-1.7!,f=-3.5!) USER MOD Set 1.2: A 100 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 54 SER OG : rot -133:sc= 0.709 USER MOD Set 2.2: A 73 LYS NZ :NH3+ -164:sc= 1.61 (180deg=1.16) USER MOD Set 3.1: A 39 HIS : no HE2:sc= 0.71 K(o=2.6,f=-4.5!) USER MOD Set 3.2: A 41 SER OG : rot 80:sc= 1.91 USER MOD Set 4.1: A 37 TYR OH : rot 18:sc= 2.03 USER MOD Set 4.2: A 47 THR OG1 : rot -145:sc= 0.863 USER MOD Set 5.1: A 32 SER OG : rot 70:sc= 0.665 USER MOD Set 5.2: A 35 SER OG : rot 137:sc= 1.36 USER MOD Set 6.1: A 23 CYS SG : rot -172:sc= 2.98 USER MOD Set 6.2: A 26 CYS SG : rot 28:sc= 0.405 USER MOD Set 6.3: A 71 CYS SG : rot -157:sc= 0.816 USER MOD Set 6.4: A 74 CYS SG : rot -89:sc= 0.86 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -8:sc= 0.377 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.0293 (180deg=-0.318) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0115 USER MOD Single : A 49 THR OG1 : rot 117:sc= 1.1 USER MOD Single : A 51 HIS : no HE2:sc= -0.626 K(o=-0.63,f=-4.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.9!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -11:sc= 1.28 USER MOD Single : A 80 HIS : no HE2:sc= 0.144 K(o=0.14,f=-1.4) USER MOD Single : A 84 ASN : amide:sc= 0.605 K(o=0.6,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 115:sc= 1.22 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0434 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N PRO A 18 57.509 49.814 46.587 1.00 0.00 N ATOM 262 CA PRO A 18 58.938 49.640 46.342 1.00 0.00 C ATOM 263 C PRO A 18 59.707 49.050 47.532 1.00 0.00 C ATOM 264 O PRO A 18 59.363 49.221 48.704 1.00 0.00 O ATOM 265 CB PRO A 18 59.457 51.024 45.941 1.00 0.00 C ATOM 266 CG PRO A 18 58.517 51.969 46.684 1.00 0.00 C ATOM 267 CD PRO A 18 57.182 51.234 46.634 1.00 0.00 C ATOM 0 HA PRO A 18 59.098 48.903 45.555 1.00 0.00 H new ATOM 0 HB2 PRO A 18 60.495 51.169 46.241 1.00 0.00 H new ATOM 0 HB3 PRO A 18 59.412 51.175 44.862 1.00 0.00 H new ATOM 0 HG2 PRO A 18 58.845 52.141 47.709 1.00 0.00 H new ATOM 0 HG3 PRO A 18 58.459 52.944 46.200 1.00 0.00 H new ATOM 0 HD2 PRO A 18 56.575 51.466 47.509 1.00 0.00 H new ATOM 0 HD3 PRO A 18 56.605 51.531 45.758 1.00 0.00 H new ATOM 275 N GLY A 19 60.827 48.400 47.221 1.00 0.00 N ATOM 276 CA GLY A 19 61.696 47.756 48.199 1.00 0.00 C ATOM 277 C GLY A 19 63.031 47.305 47.606 1.00 0.00 C ATOM 278 O GLY A 19 63.306 47.521 46.423 1.00 0.00 O ATOM 0 H GLY A 19 61.161 48.305 46.262 1.00 0.00 H new ATOM 0 HA2 GLY A 19 61.885 48.447 49.020 1.00 0.00 H new ATOM 0 HA3 GLY A 19 61.182 46.892 48.621 1.00 0.00 H new ATOM 282 N VAL A 20 63.869 46.710 48.450 1.00 0.00 N ATOM 283 CA VAL A 20 65.277 46.373 48.159 1.00 0.00 C ATOM 284 C VAL A 20 65.554 44.908 48.519 1.00 0.00 C ATOM 285 O VAL A 20 64.752 44.267 49.190 1.00 0.00 O ATOM 286 CB VAL A 20 66.242 47.325 48.899 1.00 0.00 C ATOM 287 CG1 VAL A 20 67.640 47.387 48.256 1.00 0.00 C ATOM 288 CG2 VAL A 20 65.743 48.779 48.987 1.00 0.00 C ATOM 0 H VAL A 20 63.586 46.436 49.391 1.00 0.00 H new ATOM 0 HA VAL A 20 65.451 46.503 47.091 1.00 0.00 H new ATOM 0 HB VAL A 20 66.291 46.888 49.896 1.00 0.00 H new ATOM 0 HG11 VAL A 20 68.271 48.073 48.822 1.00 0.00 H new ATOM 0 HG12 VAL A 20 68.088 46.393 48.262 1.00 0.00 H new ATOM 0 HG13 VAL A 20 67.552 47.739 47.228 1.00 0.00 H new ATOM 0 HG21 VAL A 20 66.476 49.384 49.521 1.00 0.00 H new ATOM 0 HG22 VAL A 20 65.606 49.178 47.982 1.00 0.00 H new ATOM 0 HG23 VAL A 20 64.793 48.806 49.521 1.00 0.00 H new ATOM 298 N TYR A 21 66.693 44.363 48.102 1.00 0.00 N ATOM 299 CA TYR A 21 67.156 43.027 48.491 1.00 0.00 C ATOM 300 C TYR A 21 68.338 43.115 49.461 1.00 0.00 C ATOM 301 O TYR A 21 69.071 44.105 49.456 1.00 0.00 O ATOM 302 CB TYR A 21 67.484 42.196 47.245 1.00 0.00 C ATOM 303 CG TYR A 21 66.250 41.813 46.446 1.00 0.00 C ATOM 304 CD1 TYR A 21 65.700 42.716 45.517 1.00 0.00 C ATOM 305 CD2 TYR A 21 65.621 40.572 46.673 1.00 0.00 C ATOM 306 CE1 TYR A 21 64.518 42.390 44.831 1.00 0.00 C ATOM 307 CE2 TYR A 21 64.441 40.235 45.981 1.00 0.00 C ATOM 308 CZ TYR A 21 63.887 41.152 45.062 1.00 0.00 C ATOM 309 OH TYR A 21 62.739 40.868 44.400 1.00 0.00 O ATOM 0 H TYR A 21 67.335 44.844 47.472 1.00 0.00 H new ATOM 0 HA TYR A 21 66.354 42.516 49.023 1.00 0.00 H new ATOM 0 HB2 TYR A 21 68.163 42.761 46.606 1.00 0.00 H new ATOM 0 HB3 TYR A 21 68.010 41.290 47.547 1.00 0.00 H new ATOM 0 HD1 TYR A 21 66.188 43.662 45.331 1.00 0.00 H new ATOM 0 HD2 TYR A 21 66.046 39.876 47.381 1.00 0.00 H new ATOM 0 HE1 TYR A 21 64.093 43.089 44.126 1.00 0.00 H new ATOM 0 HE2 TYR A 21 63.964 39.282 46.153 1.00 0.00 H new ATOM 0 HH TYR A 21 62.422 39.978 44.662 1.00 0.00 H new ATOM 319 N VAL A 22 68.523 42.086 50.291 1.00 0.00 N ATOM 320 CA VAL A 22 69.699 41.932 51.164 1.00 0.00 C ATOM 321 C VAL A 22 70.184 40.489 51.161 1.00 0.00 C ATOM 322 O VAL A 22 69.395 39.566 50.959 1.00 0.00 O ATOM 323 CB VAL A 22 69.487 42.414 52.617 1.00 0.00 C ATOM 324 CG1 VAL A 22 68.568 43.637 52.728 1.00 0.00 C ATOM 325 CG2 VAL A 22 68.883 41.375 53.576 1.00 0.00 C ATOM 0 H VAL A 22 67.853 41.323 50.380 1.00 0.00 H new ATOM 0 HA VAL A 22 70.459 42.587 50.738 1.00 0.00 H new ATOM 0 HB VAL A 22 70.512 42.642 52.910 1.00 0.00 H new ATOM 0 HG11 VAL A 22 68.464 43.920 53.775 1.00 0.00 H new ATOM 0 HG12 VAL A 22 68.998 44.468 52.169 1.00 0.00 H new ATOM 0 HG13 VAL A 22 67.587 43.394 52.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 68.776 41.814 54.568 1.00 0.00 H new ATOM 0 HG22 VAL A 22 67.904 41.066 53.208 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.540 40.507 53.633 1.00 0.00 H new ATOM 335 N CYS A 23 71.466 40.283 51.442 1.00 0.00 N ATOM 336 CA CYS A 23 72.069 38.957 51.371 1.00 0.00 C ATOM 337 C CYS A 23 71.509 37.969 52.430 1.00 0.00 C ATOM 338 O CYS A 23 71.058 38.347 53.514 1.00 0.00 O ATOM 339 CB CYS A 23 73.590 39.142 51.368 1.00 0.00 C ATOM 340 SG CYS A 23 74.439 37.539 51.407 1.00 0.00 S ATOM 0 H CYS A 23 72.111 41.022 51.723 1.00 0.00 H new ATOM 0 HA CYS A 23 71.791 38.456 50.444 1.00 0.00 H new ATOM 0 HB2 CYS A 23 73.891 39.696 50.479 1.00 0.00 H new ATOM 0 HB3 CYS A 23 73.889 39.737 52.231 1.00 0.00 H new ATOM 0 HG CYS A 23 75.715 37.728 51.565 1.00 0.00 H new ATOM 345 N ALA A 24 71.576 36.676 52.111 1.00 0.00 N ATOM 346 CA ALA A 24 71.205 35.602 53.028 1.00 0.00 C ATOM 347 C ALA A 24 72.178 35.440 54.214 1.00 0.00 C ATOM 348 O ALA A 24 71.749 34.936 55.255 1.00 0.00 O ATOM 349 CB ALA A 24 71.083 34.292 52.244 1.00 0.00 C ATOM 0 H ALA A 24 71.892 36.344 51.200 1.00 0.00 H new ATOM 0 HA ALA A 24 70.245 35.870 53.470 1.00 0.00 H new ATOM 0 HB1 ALA A 24 70.806 33.486 52.923 1.00 0.00 H new ATOM 0 HB2 ALA A 24 70.317 34.398 51.475 1.00 0.00 H new ATOM 0 HB3 ALA A 24 72.039 34.059 51.774 1.00 0.00 H new ATOM 355 N LYS A 25 73.454 35.834 54.073 1.00 0.00 N ATOM 356 CA LYS A 25 74.506 35.663 55.089 1.00 0.00 C ATOM 357 C LYS A 25 75.327 36.906 55.419 1.00 0.00 C ATOM 358 O LYS A 25 75.713 37.089 56.575 1.00 0.00 O ATOM 359 CB LYS A 25 75.426 34.535 54.659 1.00 0.00 C ATOM 360 CG LYS A 25 75.016 33.297 55.453 1.00 0.00 C ATOM 361 CD LYS A 25 75.785 32.066 55.021 1.00 0.00 C ATOM 362 CE LYS A 25 77.165 31.959 55.691 1.00 0.00 C ATOM 363 NZ LYS A 25 77.648 30.558 55.724 1.00 0.00 N ATOM 0 H LYS A 25 73.792 36.293 53.227 1.00 0.00 H new ATOM 0 HA LYS A 25 73.980 35.433 56.016 1.00 0.00 H new ATOM 0 HB2 LYS A 25 75.338 34.353 53.588 1.00 0.00 H new ATOM 0 HB3 LYS A 25 76.467 34.791 54.854 1.00 0.00 H new ATOM 0 HG2 LYS A 25 75.184 33.475 56.515 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.948 33.121 55.324 1.00 0.00 H new ATOM 0 HD2 LYS A 25 75.201 31.177 55.258 1.00 0.00 H new ATOM 0 HD3 LYS A 25 75.912 32.084 53.939 1.00 0.00 H new ATOM 0 HE2 LYS A 25 77.881 32.579 55.151 1.00 0.00 H new ATOM 0 HE3 LYS A 25 77.108 32.349 56.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 78.581 30.523 56.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 76.977 29.972 56.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 77.726 30.195 54.753 1.00 0.00 H new ATOM 377 N CYS A 26 75.575 37.740 54.422 1.00 0.00 N ATOM 378 CA CYS A 26 76.151 39.065 54.565 1.00 0.00 C ATOM 379 C CYS A 26 75.091 40.049 55.114 1.00 0.00 C ATOM 380 O CYS A 26 75.419 40.969 55.858 1.00 0.00 O ATOM 381 CB CYS A 26 76.704 39.517 53.197 1.00 0.00 C ATOM 382 SG CYS A 26 77.522 38.217 52.244 1.00 0.00 S ATOM 0 H CYS A 26 75.372 37.501 53.451 1.00 0.00 H new ATOM 0 HA CYS A 26 76.973 39.046 55.281 1.00 0.00 H new ATOM 0 HB2 CYS A 26 75.883 39.921 52.604 1.00 0.00 H new ATOM 0 HB3 CYS A 26 77.412 40.330 53.358 1.00 0.00 H new ATOM 0 HG CYS A 26 77.014 37.063 52.559 1.00 0.00 H new ATOM 387 N SER A 27 73.835 39.886 54.670 1.00 0.00 N ATOM 388 CA SER A 27 72.703 40.819 54.852 1.00 0.00 C ATOM 389 C SER A 27 72.978 42.278 54.460 1.00 0.00 C ATOM 390 O SER A 27 72.224 43.179 54.813 1.00 0.00 O ATOM 391 CB SER A 27 71.999 40.653 56.205 1.00 0.00 C ATOM 392 OG SER A 27 72.807 41.051 57.292 1.00 0.00 O ATOM 0 H SER A 27 73.563 39.055 54.145 1.00 0.00 H new ATOM 0 HA SER A 27 71.978 40.505 54.101 1.00 0.00 H new ATOM 0 HB2 SER A 27 71.080 41.240 56.206 1.00 0.00 H new ATOM 0 HB3 SER A 27 71.711 39.610 56.335 1.00 0.00 H new ATOM 0 HG SER A 27 73.715 41.238 56.974 1.00 0.00 H new ATOM 398 N TYR A 28 74.023 42.497 53.655 1.00 0.00 N ATOM 399 CA TYR A 28 74.332 43.766 53.002 1.00 0.00 C ATOM 400 C TYR A 28 73.196 44.137 52.033 1.00 0.00 C ATOM 401 O TYR A 28 72.833 43.318 51.184 1.00 0.00 O ATOM 402 CB TYR A 28 75.680 43.611 52.289 1.00 0.00 C ATOM 403 CG TYR A 28 76.517 44.856 52.022 1.00 0.00 C ATOM 404 CD1 TYR A 28 75.999 45.978 51.331 1.00 0.00 C ATOM 405 CD2 TYR A 28 77.878 44.842 52.385 1.00 0.00 C ATOM 406 CE1 TYR A 28 76.834 47.069 51.018 1.00 0.00 C ATOM 407 CE2 TYR A 28 78.715 45.927 52.062 1.00 0.00 C ATOM 408 CZ TYR A 28 78.202 47.043 51.378 1.00 0.00 C ATOM 409 OH TYR A 28 79.042 48.064 51.055 1.00 0.00 O ATOM 0 H TYR A 28 74.700 41.766 53.435 1.00 0.00 H new ATOM 0 HA TYR A 28 74.411 44.579 53.724 1.00 0.00 H new ATOM 0 HB2 TYR A 28 76.288 42.925 52.878 1.00 0.00 H new ATOM 0 HB3 TYR A 28 75.492 43.128 51.330 1.00 0.00 H new ATOM 0 HD1 TYR A 28 74.958 45.998 51.042 1.00 0.00 H new ATOM 0 HD2 TYR A 28 78.282 43.992 52.915 1.00 0.00 H new ATOM 0 HE1 TYR A 28 76.429 47.927 50.502 1.00 0.00 H new ATOM 0 HE2 TYR A 28 79.758 45.902 52.341 1.00 0.00 H new ATOM 0 HH TYR A 28 79.942 47.865 51.388 1.00 0.00 H new ATOM 419 N GLU A 29 72.620 45.337 52.141 1.00 0.00 N ATOM 420 CA GLU A 29 71.479 45.738 51.305 1.00 0.00 C ATOM 421 C GLU A 29 71.917 46.229 49.916 1.00 0.00 C ATOM 422 O GLU A 29 72.682 47.189 49.806 1.00 0.00 O ATOM 423 CB GLU A 29 70.613 46.791 52.015 1.00 0.00 C ATOM 424 CG GLU A 29 70.296 46.469 53.486 1.00 0.00 C ATOM 425 CD GLU A 29 71.113 47.358 54.428 1.00 0.00 C ATOM 426 OE1 GLU A 29 72.334 47.125 54.591 1.00 0.00 O ATOM 427 OE2 GLU A 29 70.538 48.330 54.981 1.00 0.00 O ATOM 0 H GLU A 29 72.925 46.052 52.801 1.00 0.00 H new ATOM 0 HA GLU A 29 70.872 44.846 51.150 1.00 0.00 H new ATOM 0 HB2 GLU A 29 71.122 47.754 51.968 1.00 0.00 H new ATOM 0 HB3 GLU A 29 69.675 46.900 51.470 1.00 0.00 H new ATOM 0 HG2 GLU A 29 69.232 46.615 53.673 1.00 0.00 H new ATOM 0 HG3 GLU A 29 70.515 45.420 53.688 1.00 0.00 H new ATOM 434 N LEU A 30 71.449 45.570 48.849 1.00 0.00 N ATOM 435 CA LEU A 30 71.814 45.845 47.459 1.00 0.00 C ATOM 436 C LEU A 30 70.848 45.170 46.462 1.00 0.00 C ATOM 437 O LEU A 30 70.524 43.993 46.581 1.00 0.00 O ATOM 438 CB LEU A 30 73.287 45.428 47.215 1.00 0.00 C ATOM 439 CG LEU A 30 73.653 43.965 47.565 1.00 0.00 C ATOM 440 CD1 LEU A 30 73.646 43.074 46.324 1.00 0.00 C ATOM 441 CD2 LEU A 30 75.065 43.875 48.151 1.00 0.00 C ATOM 0 H LEU A 30 70.782 44.803 48.936 1.00 0.00 H new ATOM 0 HA LEU A 30 71.724 46.917 47.283 1.00 0.00 H new ATOM 0 HB2 LEU A 30 73.521 45.597 46.164 1.00 0.00 H new ATOM 0 HB3 LEU A 30 73.930 46.090 47.795 1.00 0.00 H new ATOM 0 HG LEU A 30 72.905 43.632 48.285 1.00 0.00 H new ATOM 0 HD11 LEU A 30 73.907 42.054 46.607 1.00 0.00 H new ATOM 0 HD12 LEU A 30 72.653 43.083 45.875 1.00 0.00 H new ATOM 0 HD13 LEU A 30 74.373 43.448 45.603 1.00 0.00 H new ATOM 0 HD21 LEU A 30 75.295 42.836 48.388 1.00 0.00 H new ATOM 0 HD22 LEU A 30 75.785 44.250 47.424 1.00 0.00 H new ATOM 0 HD23 LEU A 30 75.121 44.475 49.059 1.00 0.00 H new ATOM 453 N PHE A 31 70.433 45.923 45.442 1.00 0.00 N ATOM 454 CA PHE A 31 70.010 45.446 44.112 1.00 0.00 C ATOM 455 C PHE A 31 69.984 46.592 43.078 1.00 0.00 C ATOM 456 O PHE A 31 69.653 47.719 43.442 1.00 0.00 O ATOM 457 CB PHE A 31 68.652 44.726 44.135 1.00 0.00 C ATOM 458 CG PHE A 31 68.709 43.452 43.308 1.00 0.00 C ATOM 459 CD1 PHE A 31 69.301 42.295 43.850 1.00 0.00 C ATOM 460 CD2 PHE A 31 68.277 43.445 41.968 1.00 0.00 C ATOM 461 CE1 PHE A 31 69.461 41.142 43.062 1.00 0.00 C ATOM 462 CE2 PHE A 31 68.429 42.289 41.181 1.00 0.00 C ATOM 463 CZ PHE A 31 69.031 41.142 41.724 1.00 0.00 C ATOM 0 H PHE A 31 70.378 46.939 45.520 1.00 0.00 H new ATOM 0 HA PHE A 31 70.760 44.715 43.810 1.00 0.00 H new ATOM 0 HB2 PHE A 31 68.378 44.487 45.163 1.00 0.00 H new ATOM 0 HB3 PHE A 31 67.878 45.386 43.744 1.00 0.00 H new ATOM 0 HD1 PHE A 31 69.634 42.293 44.877 1.00 0.00 H new ATOM 0 HD2 PHE A 31 67.827 44.330 41.543 1.00 0.00 H new ATOM 0 HE1 PHE A 31 69.914 40.257 43.484 1.00 0.00 H new ATOM 0 HE2 PHE A 31 68.082 42.283 40.158 1.00 0.00 H new ATOM 0 HZ PHE A 31 69.163 40.261 41.114 1.00 0.00 H new ATOM 473 N SER A 32 70.277 46.341 41.793 1.00 0.00 N ATOM 474 CA SER A 32 70.002 47.281 40.704 1.00 0.00 C ATOM 475 C SER A 32 68.495 47.547 40.522 1.00 0.00 C ATOM 476 O SER A 32 67.654 46.709 40.845 1.00 0.00 O ATOM 477 CB SER A 32 70.661 46.802 39.394 1.00 0.00 C ATOM 478 OG SER A 32 70.999 45.426 39.336 1.00 0.00 O ATOM 0 H SER A 32 70.714 45.474 41.482 1.00 0.00 H new ATOM 0 HA SER A 32 70.447 48.237 40.978 1.00 0.00 H new ATOM 0 HB2 SER A 32 69.986 47.025 38.568 1.00 0.00 H new ATOM 0 HB3 SER A 32 71.567 47.386 39.232 1.00 0.00 H new ATOM 0 HG SER A 32 70.180 44.890 39.293 1.00 0.00 H new ATOM 484 N SER A 33 68.136 48.712 39.967 1.00 0.00 N ATOM 485 CA SER A 33 66.753 49.005 39.544 1.00 0.00 C ATOM 486 C SER A 33 66.463 48.629 38.085 1.00 0.00 C ATOM 487 O SER A 33 65.302 48.426 37.743 1.00 0.00 O ATOM 488 CB SER A 33 66.375 50.466 39.820 1.00 0.00 C ATOM 489 OG SER A 33 66.147 50.647 41.210 1.00 0.00 O ATOM 0 H SER A 33 68.789 49.477 39.798 1.00 0.00 H new ATOM 0 HA SER A 33 66.119 48.363 40.156 1.00 0.00 H new ATOM 0 HB2 SER A 33 67.173 51.128 39.483 1.00 0.00 H new ATOM 0 HB3 SER A 33 65.481 50.733 39.257 1.00 0.00 H new ATOM 0 HG SER A 33 65.908 51.581 41.383 1.00 0.00 H new ATOM 495 N HIS A 34 67.491 48.485 37.237 1.00 0.00 N ATOM 496 CA HIS A 34 67.342 48.100 35.824 1.00 0.00 C ATOM 497 C HIS A 34 67.099 46.598 35.592 1.00 0.00 C ATOM 498 O HIS A 34 66.732 46.198 34.488 1.00 0.00 O ATOM 499 CB HIS A 34 68.605 48.506 35.050 1.00 0.00 C ATOM 500 CG HIS A 34 69.040 49.948 35.158 1.00 0.00 C ATOM 501 ND1 HIS A 34 70.312 50.370 35.468 1.00 0.00 N ATOM 502 CD2 HIS A 34 68.309 51.067 34.851 1.00 0.00 C ATOM 503 CE1 HIS A 34 70.348 51.708 35.358 1.00 0.00 C ATOM 504 NE2 HIS A 34 69.145 52.186 34.981 1.00 0.00 N ATOM 0 H HIS A 34 68.461 48.634 37.515 1.00 0.00 H new ATOM 0 HA HIS A 34 66.453 48.622 35.470 1.00 0.00 H new ATOM 0 HB2 HIS A 34 69.428 47.877 35.390 1.00 0.00 H new ATOM 0 HB3 HIS A 34 68.445 48.278 33.996 1.00 0.00 H new ATOM 0 HD2 HIS A 34 67.269 51.084 34.559 1.00 0.00 H new ATOM 0 HE1 HIS A 34 71.220 52.317 35.546 1.00 0.00 H new ATOM 0 HE2 HIS A 34 68.894 53.162 34.823 1.00 0.00 H new ATOM 512 N SER A 35 67.344 45.766 36.605 1.00 0.00 N ATOM 513 CA SER A 35 67.554 44.330 36.518 1.00 0.00 C ATOM 514 C SER A 35 66.328 43.459 36.737 1.00 0.00 C ATOM 515 O SER A 35 66.355 42.265 36.442 1.00 0.00 O ATOM 516 CB SER A 35 68.581 43.949 37.585 1.00 0.00 C ATOM 517 OG SER A 35 68.337 44.642 38.793 1.00 0.00 O ATOM 0 H SER A 35 67.404 46.103 37.566 1.00 0.00 H new ATOM 0 HA SER A 35 67.872 44.142 35.493 1.00 0.00 H new ATOM 0 HB2 SER A 35 68.543 42.874 37.764 1.00 0.00 H new ATOM 0 HB3 SER A 35 69.585 44.177 37.227 1.00 0.00 H new ATOM 0 HG SER A 35 68.435 44.026 39.549 1.00 0.00 H new ATOM 523 N LYS A 36 65.292 44.035 37.339 1.00 0.00 N ATOM 524 CA LYS A 36 64.183 43.296 37.953 1.00 0.00 C ATOM 525 C LYS A 36 62.832 43.896 37.563 1.00 0.00 C ATOM 526 O LYS A 36 62.657 45.112 37.644 1.00 0.00 O ATOM 527 CB LYS A 36 64.394 43.253 39.484 1.00 0.00 C ATOM 528 CG LYS A 36 64.574 44.648 40.118 1.00 0.00 C ATOM 529 CD LYS A 36 64.644 44.607 41.648 1.00 0.00 C ATOM 530 CE LYS A 36 64.698 46.030 42.226 1.00 0.00 C ATOM 531 NZ LYS A 36 63.439 46.772 41.959 1.00 0.00 N ATOM 0 H LYS A 36 65.194 45.047 37.418 1.00 0.00 H new ATOM 0 HA LYS A 36 64.173 42.272 37.580 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.540 42.759 39.947 1.00 0.00 H new ATOM 0 HB3 LYS A 36 65.272 42.646 39.705 1.00 0.00 H new ATOM 0 HG2 LYS A 36 65.486 45.102 39.730 1.00 0.00 H new ATOM 0 HG3 LYS A 36 63.745 45.288 39.815 1.00 0.00 H new ATOM 0 HD2 LYS A 36 63.775 44.081 42.043 1.00 0.00 H new ATOM 0 HD3 LYS A 36 65.525 44.048 41.962 1.00 0.00 H new ATOM 0 HE2 LYS A 36 64.872 45.981 43.301 1.00 0.00 H new ATOM 0 HE3 LYS A 36 65.539 46.569 41.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 63.375 47.588 42.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 63.434 47.104 40.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 62.626 46.143 42.116 1.00 0.00 H new ATOM 545 N TYR A 37 61.875 43.057 37.162 1.00 0.00 N ATOM 546 CA TYR A 37 60.591 43.516 36.618 1.00 0.00 C ATOM 547 C TYR A 37 59.388 42.795 37.230 1.00 0.00 C ATOM 548 O TYR A 37 59.434 41.605 37.539 1.00 0.00 O ATOM 549 CB TYR A 37 60.556 43.379 35.085 1.00 0.00 C ATOM 550 CG TYR A 37 61.862 43.687 34.373 1.00 0.00 C ATOM 551 CD1 TYR A 37 62.474 44.947 34.525 1.00 0.00 C ATOM 552 CD2 TYR A 37 62.502 42.683 33.622 1.00 0.00 C ATOM 553 CE1 TYR A 37 63.754 45.178 33.991 1.00 0.00 C ATOM 554 CE2 TYR A 37 63.767 42.925 33.056 1.00 0.00 C ATOM 555 CZ TYR A 37 64.413 44.160 33.269 1.00 0.00 C ATOM 556 OH TYR A 37 65.680 44.349 32.812 1.00 0.00 O ATOM 0 H TYR A 37 61.966 42.042 37.204 1.00 0.00 H new ATOM 0 HA TYR A 37 60.512 44.569 36.890 1.00 0.00 H new ATOM 0 HB2 TYR A 37 60.257 42.361 34.835 1.00 0.00 H new ATOM 0 HB3 TYR A 37 59.784 44.043 34.695 1.00 0.00 H new ATOM 0 HD1 TYR A 37 61.959 45.736 35.052 1.00 0.00 H new ATOM 0 HD2 TYR A 37 62.022 41.726 33.480 1.00 0.00 H new ATOM 0 HE1 TYR A 37 64.233 46.135 34.133 1.00 0.00 H new ATOM 0 HE2 TYR A 37 64.244 42.163 32.457 1.00 0.00 H new ATOM 0 HH TYR A 37 66.093 45.096 33.293 1.00 0.00 H new ATOM 566 N ALA A 38 58.285 43.533 37.314 1.00 0.00 N ATOM 567 CA ALA A 38 56.936 42.992 37.447 1.00 0.00 C ATOM 568 C ALA A 38 56.354 42.703 36.050 1.00 0.00 C ATOM 569 O ALA A 38 56.732 43.348 35.071 1.00 0.00 O ATOM 570 CB ALA A 38 56.075 43.977 38.247 1.00 0.00 C ATOM 0 H ALA A 38 58.306 44.553 37.291 1.00 0.00 H new ATOM 0 HA ALA A 38 56.953 42.048 37.992 1.00 0.00 H new ATOM 0 HB1 ALA A 38 55.066 43.578 38.350 1.00 0.00 H new ATOM 0 HB2 ALA A 38 56.510 44.121 39.236 1.00 0.00 H new ATOM 0 HB3 ALA A 38 56.036 44.933 37.725 1.00 0.00 H new ATOM 576 N HIS A 39 55.447 41.729 35.944 1.00 0.00 N ATOM 577 CA HIS A 39 54.852 41.301 34.686 1.00 0.00 C ATOM 578 C HIS A 39 53.453 40.700 34.899 1.00 0.00 C ATOM 579 O HIS A 39 53.120 40.259 35.996 1.00 0.00 O ATOM 580 CB HIS A 39 55.799 40.287 34.022 1.00 0.00 C ATOM 581 CG HIS A 39 55.377 39.907 32.630 1.00 0.00 C ATOM 582 ND1 HIS A 39 54.960 38.666 32.216 1.00 0.00 N ATOM 583 CD2 HIS A 39 55.277 40.749 31.559 1.00 0.00 C ATOM 584 CE1 HIS A 39 54.624 38.750 30.919 1.00 0.00 C ATOM 585 NE2 HIS A 39 54.779 40.012 30.476 1.00 0.00 N ATOM 0 H HIS A 39 55.102 41.208 36.750 1.00 0.00 H new ATOM 0 HA HIS A 39 54.721 42.165 34.034 1.00 0.00 H new ATOM 0 HB2 HIS A 39 56.804 40.707 33.988 1.00 0.00 H new ATOM 0 HB3 HIS A 39 55.849 39.389 34.638 1.00 0.00 H new ATOM 0 HD1 HIS A 39 54.914 37.826 32.793 1.00 0.00 H new ATOM 0 HD2 HIS A 39 55.536 41.797 31.549 1.00 0.00 H new ATOM 0 HE1 HIS A 39 54.278 37.923 30.317 1.00 0.00 H new ATOM 593 N SER A 40 52.645 40.632 33.838 1.00 0.00 N ATOM 594 CA SER A 40 51.285 40.122 33.785 1.00 0.00 C ATOM 595 C SER A 40 51.176 38.586 33.887 1.00 0.00 C ATOM 596 O SER A 40 50.360 37.977 33.194 1.00 0.00 O ATOM 597 CB SER A 40 50.693 40.626 32.476 1.00 0.00 C ATOM 598 OG SER A 40 51.055 41.962 32.156 1.00 0.00 O ATOM 0 H SER A 40 52.956 40.960 32.924 1.00 0.00 H new ATOM 0 HA SER A 40 50.737 40.482 34.656 1.00 0.00 H new ATOM 0 HB2 SER A 40 51.014 39.970 31.667 1.00 0.00 H new ATOM 0 HB3 SER A 40 49.606 40.558 32.530 1.00 0.00 H new ATOM 0 HG SER A 40 50.642 42.218 31.305 1.00 0.00 H new ATOM 604 N SER A 41 52.030 37.932 34.677 1.00 0.00 N ATOM 605 CA SER A 41 52.188 36.470 34.749 1.00 0.00 C ATOM 606 C SER A 41 52.665 36.014 36.137 1.00 0.00 C ATOM 607 O SER A 41 53.105 36.842 36.941 1.00 0.00 O ATOM 608 CB SER A 41 53.189 36.002 33.676 1.00 0.00 C ATOM 609 OG SER A 41 54.515 36.422 33.950 1.00 0.00 O ATOM 0 H SER A 41 52.659 38.423 35.312 1.00 0.00 H new ATOM 0 HA SER A 41 51.211 36.021 34.569 1.00 0.00 H new ATOM 0 HB2 SER A 41 53.162 34.914 33.609 1.00 0.00 H new ATOM 0 HB3 SER A 41 52.882 36.389 32.704 1.00 0.00 H new ATOM 0 HG SER A 41 54.913 35.831 34.623 1.00 0.00 H new ATOM 615 N PRO A 42 52.634 34.705 36.443 1.00 0.00 N ATOM 616 CA PRO A 42 53.518 34.134 37.455 1.00 0.00 C ATOM 617 C PRO A 42 54.988 34.153 36.987 1.00 0.00 C ATOM 618 O PRO A 42 55.290 34.542 35.853 1.00 0.00 O ATOM 619 CB PRO A 42 52.986 32.713 37.668 1.00 0.00 C ATOM 620 CG PRO A 42 52.482 32.334 36.277 1.00 0.00 C ATOM 621 CD PRO A 42 51.865 33.647 35.797 1.00 0.00 C ATOM 0 HA PRO A 42 53.518 34.702 38.385 1.00 0.00 H new ATOM 0 HB2 PRO A 42 53.766 32.036 38.015 1.00 0.00 H new ATOM 0 HB3 PRO A 42 52.188 32.686 38.410 1.00 0.00 H new ATOM 0 HG2 PRO A 42 53.291 32.001 35.626 1.00 0.00 H new ATOM 0 HG3 PRO A 42 51.749 31.528 36.314 1.00 0.00 H new ATOM 0 HD2 PRO A 42 51.919 33.731 34.712 1.00 0.00 H new ATOM 0 HD3 PRO A 42 50.811 33.707 36.069 1.00 0.00 H new ATOM 629 N TRP A 43 55.886 33.695 37.859 1.00 0.00 N ATOM 630 CA TRP A 43 57.292 33.371 37.577 1.00 0.00 C ATOM 631 C TRP A 43 58.137 34.483 36.898 1.00 0.00 C ATOM 632 O TRP A 43 58.780 34.226 35.875 1.00 0.00 O ATOM 633 CB TRP A 43 57.342 32.016 36.846 1.00 0.00 C ATOM 634 CG TRP A 43 56.483 30.919 37.419 1.00 0.00 C ATOM 635 CD1 TRP A 43 55.550 30.222 36.731 1.00 0.00 C ATOM 636 CD2 TRP A 43 56.431 30.400 38.790 1.00 0.00 C ATOM 637 NE1 TRP A 43 54.922 29.322 37.570 1.00 0.00 N ATOM 638 CE2 TRP A 43 55.450 29.364 38.840 1.00 0.00 C ATOM 639 CE3 TRP A 43 57.100 30.701 39.997 1.00 0.00 C ATOM 640 CZ2 TRP A 43 55.170 28.645 40.010 1.00 0.00 C ATOM 641 CZ3 TRP A 43 56.816 29.995 41.184 1.00 0.00 C ATOM 642 CH2 TRP A 43 55.859 28.964 41.192 1.00 0.00 C ATOM 0 H TRP A 43 55.643 33.530 38.836 1.00 0.00 H new ATOM 0 HA TRP A 43 57.799 33.295 38.539 1.00 0.00 H new ATOM 0 HB2 TRP A 43 57.047 32.175 35.809 1.00 0.00 H new ATOM 0 HB3 TRP A 43 58.376 31.671 36.834 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.329 30.350 35.682 1.00 0.00 H new ATOM 0 HE1 TRP A 43 54.162 28.704 37.284 1.00 0.00 H new ATOM 0 HE3 TRP A 43 57.842 31.486 40.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 54.433 27.855 40.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 57.338 30.248 42.095 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.655 28.420 42.103 1.00 0.00 H new ATOM 653 N PRO A 44 58.194 35.712 37.456 1.00 0.00 N ATOM 654 CA PRO A 44 59.151 36.733 37.022 1.00 0.00 C ATOM 655 C PRO A 44 60.605 36.338 37.355 1.00 0.00 C ATOM 656 O PRO A 44 60.858 35.553 38.269 1.00 0.00 O ATOM 657 CB PRO A 44 58.728 38.015 37.746 1.00 0.00 C ATOM 658 CG PRO A 44 58.146 37.484 39.056 1.00 0.00 C ATOM 659 CD PRO A 44 57.463 36.186 38.625 1.00 0.00 C ATOM 0 HA PRO A 44 59.137 36.860 35.940 1.00 0.00 H new ATOM 0 HB2 PRO A 44 59.574 38.680 37.919 1.00 0.00 H new ATOM 0 HB3 PRO A 44 57.991 38.579 37.174 1.00 0.00 H new ATOM 0 HG2 PRO A 44 58.923 37.304 39.800 1.00 0.00 H new ATOM 0 HG3 PRO A 44 57.438 38.186 39.497 1.00 0.00 H new ATOM 0 HD2 PRO A 44 57.489 35.448 39.426 1.00 0.00 H new ATOM 0 HD3 PRO A 44 56.414 36.359 38.385 1.00 0.00 H new ATOM 667 N ALA A 45 61.566 36.919 36.632 1.00 0.00 N ATOM 668 CA ALA A 45 63.004 36.669 36.778 1.00 0.00 C ATOM 669 C ALA A 45 63.819 37.967 36.605 1.00 0.00 C ATOM 670 O ALA A 45 63.262 39.012 36.259 1.00 0.00 O ATOM 671 CB ALA A 45 63.411 35.595 35.758 1.00 0.00 C ATOM 0 H ALA A 45 61.358 37.601 35.903 1.00 0.00 H new ATOM 0 HA ALA A 45 63.219 36.310 37.784 1.00 0.00 H new ATOM 0 HB1 ALA A 45 64.478 35.393 35.849 1.00 0.00 H new ATOM 0 HB2 ALA A 45 62.851 34.680 35.950 1.00 0.00 H new ATOM 0 HB3 ALA A 45 63.193 35.949 34.750 1.00 0.00 H new ATOM 677 N PHE A 46 65.133 37.903 36.834 1.00 0.00 N ATOM 678 CA PHE A 46 66.051 39.037 36.663 1.00 0.00 C ATOM 679 C PHE A 46 66.862 38.920 35.363 1.00 0.00 C ATOM 680 O PHE A 46 67.031 37.831 34.810 1.00 0.00 O ATOM 681 CB PHE A 46 66.964 39.153 37.898 1.00 0.00 C ATOM 682 CG PHE A 46 66.286 39.213 39.262 1.00 0.00 C ATOM 683 CD1 PHE A 46 65.015 39.802 39.433 1.00 0.00 C ATOM 684 CD2 PHE A 46 66.957 38.691 40.385 1.00 0.00 C ATOM 685 CE1 PHE A 46 64.427 39.866 40.710 1.00 0.00 C ATOM 686 CE2 PHE A 46 66.375 38.762 41.664 1.00 0.00 C ATOM 687 CZ PHE A 46 65.109 39.351 41.826 1.00 0.00 C ATOM 0 H PHE A 46 65.598 37.051 37.148 1.00 0.00 H new ATOM 0 HA PHE A 46 65.464 39.952 36.577 1.00 0.00 H new ATOM 0 HB2 PHE A 46 67.645 38.302 37.896 1.00 0.00 H new ATOM 0 HB3 PHE A 46 67.574 40.049 37.784 1.00 0.00 H new ATOM 0 HD1 PHE A 46 64.491 40.206 38.579 1.00 0.00 H new ATOM 0 HD2 PHE A 46 67.927 38.232 40.263 1.00 0.00 H new ATOM 0 HE1 PHE A 46 63.451 40.311 40.833 1.00 0.00 H new ATOM 0 HE2 PHE A 46 66.900 38.365 42.520 1.00 0.00 H new ATOM 0 HZ PHE A 46 64.661 39.408 42.807 1.00 0.00 H new ATOM 697 N THR A 47 67.382 40.050 34.883 1.00 0.00 N ATOM 698 CA THR A 47 68.282 40.121 33.713 1.00 0.00 C ATOM 699 C THR A 47 69.757 40.218 34.082 1.00 0.00 C ATOM 700 O THR A 47 70.585 39.507 33.514 1.00 0.00 O ATOM 701 CB THR A 47 67.937 41.314 32.813 1.00 0.00 C ATOM 702 OG1 THR A 47 67.631 42.448 33.594 1.00 0.00 O ATOM 703 CG2 THR A 47 66.748 40.999 31.912 1.00 0.00 C ATOM 0 H THR A 47 67.191 40.962 35.298 1.00 0.00 H new ATOM 0 HA THR A 47 68.123 39.182 33.184 1.00 0.00 H new ATOM 0 HB THR A 47 68.809 41.518 32.192 1.00 0.00 H new ATOM 0 HG1 THR A 47 66.935 42.974 33.148 1.00 0.00 H new ATOM 0 HG21 THR A 47 66.527 41.863 31.286 1.00 0.00 H new ATOM 0 HG22 THR A 47 66.987 40.144 31.279 1.00 0.00 H new ATOM 0 HG23 THR A 47 65.879 40.764 32.526 1.00 0.00 H new ATOM 711 N GLU A 48 70.098 41.107 35.008 1.00 0.00 N ATOM 712 CA GLU A 48 71.448 41.499 35.369 1.00 0.00 C ATOM 713 C GLU A 48 71.670 41.560 36.878 1.00 0.00 C ATOM 714 O GLU A 48 70.758 41.569 37.704 1.00 0.00 O ATOM 715 CB GLU A 48 71.812 42.852 34.726 1.00 0.00 C ATOM 716 CG GLU A 48 70.722 43.913 34.601 1.00 0.00 C ATOM 717 CD GLU A 48 71.129 45.319 35.075 1.00 0.00 C ATOM 718 OE1 GLU A 48 71.286 45.551 36.305 1.00 0.00 O ATOM 719 OE2 GLU A 48 71.230 46.225 34.210 1.00 0.00 O ATOM 0 H GLU A 48 69.394 41.601 35.557 1.00 0.00 H new ATOM 0 HA GLU A 48 72.107 40.722 34.982 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.631 43.284 35.302 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.196 42.652 33.726 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.412 43.973 33.558 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.853 43.590 35.174 1.00 0.00 H new ATOM 726 N THR A 49 72.952 41.641 37.197 1.00 0.00 N ATOM 727 CA THR A 49 73.493 41.827 38.545 1.00 0.00 C ATOM 728 C THR A 49 73.930 43.274 38.763 1.00 0.00 C ATOM 729 O THR A 49 74.300 43.990 37.836 1.00 0.00 O ATOM 730 CB THR A 49 74.652 40.860 38.857 1.00 0.00 C ATOM 731 OG1 THR A 49 75.762 41.082 38.016 1.00 0.00 O ATOM 732 CG2 THR A 49 74.253 39.393 38.710 1.00 0.00 C ATOM 0 H THR A 49 73.685 41.576 36.491 1.00 0.00 H new ATOM 0 HA THR A 49 72.686 41.594 39.240 1.00 0.00 H new ATOM 0 HB THR A 49 74.914 41.064 39.895 1.00 0.00 H new ATOM 0 HG1 THR A 49 76.528 41.371 38.555 1.00 0.00 H new ATOM 0 HG21 THR A 49 75.108 38.758 38.942 1.00 0.00 H new ATOM 0 HG22 THR A 49 73.437 39.167 39.396 1.00 0.00 H new ATOM 0 HG23 THR A 49 73.929 39.205 37.687 1.00 0.00 H new ATOM 740 N ILE A 50 73.942 43.695 40.027 1.00 0.00 N ATOM 741 CA ILE A 50 74.291 45.046 40.480 1.00 0.00 C ATOM 742 C ILE A 50 75.728 45.434 40.097 1.00 0.00 C ATOM 743 O ILE A 50 76.033 46.567 39.733 1.00 0.00 O ATOM 744 CB ILE A 50 74.114 45.134 42.010 1.00 0.00 C ATOM 745 CG1 ILE A 50 72.978 44.305 42.649 1.00 0.00 C ATOM 746 CG2 ILE A 50 73.953 46.611 42.414 1.00 0.00 C ATOM 747 CD1 ILE A 50 73.251 42.809 42.892 1.00 0.00 C ATOM 0 H ILE A 50 73.698 43.077 40.801 1.00 0.00 H new ATOM 0 HA ILE A 50 73.622 45.748 39.982 1.00 0.00 H new ATOM 0 HB ILE A 50 75.021 44.677 42.405 1.00 0.00 H new ATOM 0 HG12 ILE A 50 72.723 44.762 43.605 1.00 0.00 H new ATOM 0 HG13 ILE A 50 72.098 44.389 42.011 1.00 0.00 H new ATOM 0 HG21 ILE A 50 73.827 46.681 43.494 1.00 0.00 H new ATOM 0 HG22 ILE A 50 74.840 47.169 42.115 1.00 0.00 H new ATOM 0 HG23 ILE A 50 73.077 47.030 41.919 1.00 0.00 H new ATOM 0 HD11 ILE A 50 72.373 42.348 43.344 1.00 0.00 H new ATOM 0 HD12 ILE A 50 73.470 42.320 41.943 1.00 0.00 H new ATOM 0 HD13 ILE A 50 74.104 42.699 43.562 1.00 0.00 H new ATOM 759 N HIS A 51 76.598 44.434 40.157 1.00 0.00 N ATOM 760 CA HIS A 51 77.991 44.447 39.721 1.00 0.00 C ATOM 761 C HIS A 51 78.326 43.054 39.155 1.00 0.00 C ATOM 762 O HIS A 51 77.784 42.066 39.674 1.00 0.00 O ATOM 763 CB HIS A 51 78.900 44.825 40.909 1.00 0.00 C ATOM 764 CG HIS A 51 79.994 45.796 40.563 1.00 0.00 C ATOM 765 ND1 HIS A 51 81.343 45.526 40.508 1.00 0.00 N ATOM 766 CD2 HIS A 51 79.835 47.123 40.267 1.00 0.00 C ATOM 767 CE1 HIS A 51 81.982 46.658 40.168 1.00 0.00 C ATOM 768 NE2 HIS A 51 81.099 47.655 39.990 1.00 0.00 N ATOM 0 H HIS A 51 76.331 43.527 40.539 1.00 0.00 H new ATOM 0 HA HIS A 51 78.155 45.190 38.941 1.00 0.00 H new ATOM 0 HB2 HIS A 51 78.285 45.254 41.700 1.00 0.00 H new ATOM 0 HB3 HIS A 51 79.349 43.917 41.312 1.00 0.00 H new ATOM 0 HD1 HIS A 51 81.781 44.624 40.693 1.00 0.00 H new ATOM 0 HD2 HIS A 51 78.900 47.663 40.250 1.00 0.00 H new ATOM 0 HE1 HIS A 51 83.052 46.753 40.054 1.00 0.00 H new ATOM 776 N PRO A 52 79.201 42.925 38.139 1.00 0.00 N ATOM 777 CA PRO A 52 79.602 41.633 37.554 1.00 0.00 C ATOM 778 C PRO A 52 80.062 40.590 38.575 1.00 0.00 C ATOM 779 O PRO A 52 79.783 39.402 38.454 1.00 0.00 O ATOM 780 CB PRO A 52 80.771 41.964 36.614 1.00 0.00 C ATOM 781 CG PRO A 52 81.187 43.396 36.951 1.00 0.00 C ATOM 782 CD PRO A 52 79.891 44.011 37.456 1.00 0.00 C ATOM 0 HA PRO A 52 78.740 41.185 37.060 1.00 0.00 H new ATOM 0 HB2 PRO A 52 81.600 41.271 36.762 1.00 0.00 H new ATOM 0 HB3 PRO A 52 80.469 41.880 35.570 1.00 0.00 H new ATOM 0 HG2 PRO A 52 81.970 43.422 37.709 1.00 0.00 H new ATOM 0 HG3 PRO A 52 81.571 43.922 36.077 1.00 0.00 H new ATOM 0 HD2 PRO A 52 80.086 44.843 38.133 1.00 0.00 H new ATOM 0 HD3 PRO A 52 79.293 44.403 36.633 1.00 0.00 H new ATOM 790 N ASP A 53 80.797 41.080 39.562 1.00 0.00 N ATOM 791 CA ASP A 53 81.505 40.398 40.638 1.00 0.00 C ATOM 792 C ASP A 53 80.790 40.420 41.995 1.00 0.00 C ATOM 793 O ASP A 53 81.219 39.760 42.939 1.00 0.00 O ATOM 794 CB ASP A 53 82.900 41.025 40.754 1.00 0.00 C ATOM 795 CG ASP A 53 82.828 42.550 40.890 1.00 0.00 C ATOM 796 OD1 ASP A 53 82.017 43.075 41.683 1.00 0.00 O ATOM 797 OD2 ASP A 53 83.494 43.254 40.100 1.00 0.00 O ATOM 0 H ASP A 53 80.927 42.089 39.637 1.00 0.00 H new ATOM 0 HA ASP A 53 81.555 39.341 40.375 1.00 0.00 H new ATOM 0 HB2 ASP A 53 83.416 40.607 41.618 1.00 0.00 H new ATOM 0 HB3 ASP A 53 83.490 40.766 39.875 1.00 0.00 H new ATOM 802 N SER A 54 79.668 41.136 42.103 1.00 0.00 N ATOM 803 CA SER A 54 78.917 41.220 43.369 1.00 0.00 C ATOM 804 C SER A 54 78.274 39.893 43.773 1.00 0.00 C ATOM 805 O SER A 54 77.847 39.741 44.918 1.00 0.00 O ATOM 806 CB SER A 54 77.864 42.331 43.344 1.00 0.00 C ATOM 807 OG SER A 54 78.219 43.317 44.294 1.00 0.00 O ATOM 0 H SER A 54 79.256 41.666 41.335 1.00 0.00 H new ATOM 0 HA SER A 54 79.660 41.467 44.127 1.00 0.00 H new ATOM 0 HB2 SER A 54 77.803 42.771 42.349 1.00 0.00 H new ATOM 0 HB3 SER A 54 76.880 41.923 43.573 1.00 0.00 H new ATOM 0 HG SER A 54 77.433 43.553 44.830 1.00 0.00 H new ATOM 813 N VAL A 55 78.255 38.962 42.824 1.00 0.00 N ATOM 814 CA VAL A 55 78.080 37.514 42.992 1.00 0.00 C ATOM 815 C VAL A 55 79.029 36.813 42.013 1.00 0.00 C ATOM 816 O VAL A 55 79.480 37.413 41.033 1.00 0.00 O ATOM 817 CB VAL A 55 76.613 37.072 42.794 1.00 0.00 C ATOM 818 CG1 VAL A 55 75.688 37.619 43.887 1.00 0.00 C ATOM 819 CG2 VAL A 55 76.029 37.468 41.440 1.00 0.00 C ATOM 0 H VAL A 55 78.370 39.214 41.842 1.00 0.00 H new ATOM 0 HA VAL A 55 78.326 37.232 44.016 1.00 0.00 H new ATOM 0 HB VAL A 55 76.657 35.984 42.849 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.668 37.281 43.704 1.00 0.00 H new ATOM 0 HG12 VAL A 55 76.021 37.257 44.860 1.00 0.00 H new ATOM 0 HG13 VAL A 55 75.716 38.709 43.876 1.00 0.00 H new ATOM 0 HG21 VAL A 55 74.997 37.124 41.374 1.00 0.00 H new ATOM 0 HG22 VAL A 55 76.057 38.553 41.335 1.00 0.00 H new ATOM 0 HG23 VAL A 55 76.615 37.011 40.643 1.00 0.00 H new ATOM 829 N THR A 56 79.354 35.546 42.256 1.00 0.00 N ATOM 830 CA THR A 56 80.223 34.753 41.371 1.00 0.00 C ATOM 831 C THR A 56 79.548 33.478 40.932 1.00 0.00 C ATOM 832 O THR A 56 78.961 32.736 41.721 1.00 0.00 O ATOM 833 CB THR A 56 81.611 34.507 41.953 1.00 0.00 C ATOM 834 OG1 THR A 56 82.425 33.853 41.017 1.00 0.00 O ATOM 835 CG2 THR A 56 81.616 33.679 43.236 1.00 0.00 C ATOM 0 H THR A 56 79.024 35.033 43.073 1.00 0.00 H new ATOM 0 HA THR A 56 80.388 35.357 40.479 1.00 0.00 H new ATOM 0 HB THR A 56 81.993 35.498 42.197 1.00 0.00 H new ATOM 0 HG1 THR A 56 83.313 33.703 41.404 1.00 0.00 H new ATOM 0 HG21 THR A 56 82.642 33.551 43.583 1.00 0.00 H new ATOM 0 HG22 THR A 56 81.035 34.192 44.002 1.00 0.00 H new ATOM 0 HG23 THR A 56 81.175 32.702 43.040 1.00 0.00 H new ATOM 843 N LYS A 57 79.581 33.269 39.624 1.00 0.00 N ATOM 844 CA LYS A 57 78.841 32.228 38.929 1.00 0.00 C ATOM 845 C LYS A 57 79.721 31.293 38.118 1.00 0.00 C ATOM 846 O LYS A 57 80.760 31.683 37.589 1.00 0.00 O ATOM 847 CB LYS A 57 77.709 32.809 38.088 1.00 0.00 C ATOM 848 CG LYS A 57 77.861 34.117 37.335 1.00 0.00 C ATOM 849 CD LYS A 57 78.795 34.087 36.122 1.00 0.00 C ATOM 850 CE LYS A 57 80.191 34.601 36.480 1.00 0.00 C ATOM 851 NZ LYS A 57 81.062 34.749 35.294 1.00 0.00 N ATOM 0 H LYS A 57 80.145 33.841 38.995 1.00 0.00 H new ATOM 0 HA LYS A 57 78.396 31.610 39.709 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.442 32.051 37.352 1.00 0.00 H new ATOM 0 HB3 LYS A 57 76.852 32.925 38.751 1.00 0.00 H new ATOM 0 HG2 LYS A 57 76.874 34.438 37.001 1.00 0.00 H new ATOM 0 HG3 LYS A 57 78.224 34.874 38.030 1.00 0.00 H new ATOM 0 HD2 LYS A 57 78.867 33.068 35.742 1.00 0.00 H new ATOM 0 HD3 LYS A 57 78.375 34.697 35.322 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.102 35.564 36.984 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.658 33.914 37.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 81.995 35.100 35.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.171 33.827 34.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.633 35.425 34.630 1.00 0.00 H new ATOM 865 N CYS A 58 79.245 30.065 38.018 1.00 0.00 N ATOM 866 CA CYS A 58 79.973 28.941 37.436 1.00 0.00 C ATOM 867 C CYS A 58 79.076 27.948 36.672 1.00 0.00 C ATOM 868 O CYS A 58 77.894 27.810 36.975 1.00 0.00 O ATOM 869 CB CYS A 58 80.772 28.262 38.554 1.00 0.00 C ATOM 870 SG CYS A 58 79.760 27.912 40.024 1.00 0.00 S ATOM 0 H CYS A 58 78.314 29.810 38.348 1.00 0.00 H new ATOM 0 HA CYS A 58 80.649 29.325 36.672 1.00 0.00 H new ATOM 0 HB2 CYS A 58 81.195 27.330 38.179 1.00 0.00 H new ATOM 0 HB3 CYS A 58 81.609 28.901 38.837 1.00 0.00 H new ATOM 0 HG CYS A 58 80.494 27.337 40.929 1.00 0.00 H new ATOM 876 N PRO A 59 79.605 27.246 35.657 1.00 0.00 N ATOM 877 CA PRO A 59 78.817 26.302 34.871 1.00 0.00 C ATOM 878 C PRO A 59 78.373 25.076 35.676 1.00 0.00 C ATOM 879 O PRO A 59 79.040 24.633 36.613 1.00 0.00 O ATOM 880 CB PRO A 59 79.685 25.923 33.671 1.00 0.00 C ATOM 881 CG PRO A 59 81.112 26.180 34.160 1.00 0.00 C ATOM 882 CD PRO A 59 80.971 27.320 35.166 1.00 0.00 C ATOM 0 HA PRO A 59 77.881 26.761 34.552 1.00 0.00 H new ATOM 0 HB2 PRO A 59 79.541 24.881 33.386 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.446 26.529 32.797 1.00 0.00 H new ATOM 0 HG2 PRO A 59 81.539 25.291 34.625 1.00 0.00 H new ATOM 0 HG3 PRO A 59 81.770 26.456 33.336 1.00 0.00 H new ATOM 0 HD2 PRO A 59 81.686 27.213 35.981 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.166 28.284 34.695 1.00 0.00 H new ATOM 890 N GLU A 60 77.247 24.498 35.268 1.00 0.00 N ATOM 891 CA GLU A 60 76.856 23.159 35.664 1.00 0.00 C ATOM 892 C GLU A 60 77.478 22.095 34.761 1.00 0.00 C ATOM 893 O GLU A 60 77.737 22.293 33.572 1.00 0.00 O ATOM 894 CB GLU A 60 75.339 22.997 35.664 1.00 0.00 C ATOM 895 CG GLU A 60 74.576 23.810 36.717 1.00 0.00 C ATOM 896 CD GLU A 60 74.639 23.180 38.119 1.00 0.00 C ATOM 897 OE1 GLU A 60 75.696 22.636 38.521 1.00 0.00 O ATOM 898 OE2 GLU A 60 73.604 23.130 38.816 1.00 0.00 O ATOM 0 H GLU A 60 76.578 24.954 34.648 1.00 0.00 H new ATOM 0 HA GLU A 60 77.229 23.017 36.678 1.00 0.00 H new ATOM 0 HB2 GLU A 60 74.964 23.273 34.679 1.00 0.00 H new ATOM 0 HB3 GLU A 60 75.106 21.942 35.809 1.00 0.00 H new ATOM 0 HG2 GLU A 60 74.987 24.819 36.758 1.00 0.00 H new ATOM 0 HG3 GLU A 60 73.534 23.903 36.412 1.00 0.00 H new ATOM 905 N LYS A 61 77.639 20.913 35.345 1.00 0.00 N ATOM 906 CA LYS A 61 78.199 19.717 34.732 1.00 0.00 C ATOM 907 C LYS A 61 77.122 18.745 34.288 1.00 0.00 C ATOM 908 O LYS A 61 77.126 18.315 33.138 1.00 0.00 O ATOM 909 CB LYS A 61 79.275 19.056 35.604 1.00 0.00 C ATOM 910 CG LYS A 61 79.272 19.351 37.101 1.00 0.00 C ATOM 911 CD LYS A 61 80.036 20.625 37.490 1.00 0.00 C ATOM 912 CE LYS A 61 79.737 21.017 38.944 1.00 0.00 C ATOM 913 NZ LYS A 61 80.198 20.012 39.938 1.00 0.00 N ATOM 0 H LYS A 61 77.366 20.756 36.315 1.00 0.00 H new ATOM 0 HA LYS A 61 78.711 20.042 33.826 1.00 0.00 H new ATOM 0 HB2 LYS A 61 79.189 17.977 35.477 1.00 0.00 H new ATOM 0 HB3 LYS A 61 80.248 19.347 35.209 1.00 0.00 H new ATOM 0 HG2 LYS A 61 78.240 19.441 37.441 1.00 0.00 H new ATOM 0 HG3 LYS A 61 79.709 18.503 37.629 1.00 0.00 H new ATOM 0 HD2 LYS A 61 81.107 20.465 37.365 1.00 0.00 H new ATOM 0 HD3 LYS A 61 79.755 21.441 36.824 1.00 0.00 H new ATOM 0 HE2 LYS A 61 80.213 21.973 39.159 1.00 0.00 H new ATOM 0 HE3 LYS A 61 78.663 21.163 39.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 79.965 20.340 40.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 79.725 19.103 39.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 81.227 19.889 39.855 1.00 0.00 H new ATOM 927 N ASN A 62 76.161 18.487 35.169 1.00 0.00 N ATOM 928 CA ASN A 62 74.966 17.691 34.886 1.00 0.00 C ATOM 929 C ASN A 62 73.799 18.509 34.302 1.00 0.00 C ATOM 930 O ASN A 62 72.765 17.928 33.963 1.00 0.00 O ATOM 931 CB ASN A 62 74.615 16.835 36.119 1.00 0.00 C ATOM 932 CG ASN A 62 74.350 17.646 37.373 1.00 0.00 C ATOM 933 OD1 ASN A 62 73.779 18.722 37.352 1.00 0.00 O ATOM 934 ND2 ASN A 62 74.843 17.202 38.500 1.00 0.00 N ATOM 0 H ASN A 62 76.190 18.835 36.128 1.00 0.00 H new ATOM 0 HA ASN A 62 75.190 17.002 34.072 1.00 0.00 H new ATOM 0 HB2 ASN A 62 73.734 16.234 35.893 1.00 0.00 H new ATOM 0 HB3 ASN A 62 75.433 16.141 36.313 1.00 0.00 H new ATOM 0 HD21 ASN A 62 74.748 17.755 39.352 1.00 0.00 H new ATOM 0 HD22 ASN A 62 75.323 16.302 38.527 1.00 0.00 H new ATOM 941 N ARG A 63 73.990 19.822 34.092 1.00 0.00 N ATOM 942 CA ARG A 63 73.087 20.720 33.365 1.00 0.00 C ATOM 943 C ARG A 63 73.813 21.577 32.311 1.00 0.00 C ATOM 944 O ARG A 63 73.797 22.802 32.402 1.00 0.00 O ATOM 945 CB ARG A 63 72.253 21.583 34.328 1.00 0.00 C ATOM 946 CG ARG A 63 71.722 20.847 35.555 1.00 0.00 C ATOM 947 CD ARG A 63 70.687 21.689 36.310 1.00 0.00 C ATOM 948 NE ARG A 63 71.178 22.105 37.637 1.00 0.00 N ATOM 949 CZ ARG A 63 70.704 21.725 38.804 1.00 0.00 C ATOM 950 NH1 ARG A 63 69.568 21.117 38.955 1.00 0.00 N ATOM 951 NH2 ARG A 63 71.391 21.949 39.877 1.00 0.00 N ATOM 0 H ARG A 63 74.817 20.305 34.442 1.00 0.00 H new ATOM 0 HA ARG A 63 72.398 20.082 32.812 1.00 0.00 H new ATOM 0 HB2 ARG A 63 72.863 22.422 34.662 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.409 22.001 33.780 1.00 0.00 H new ATOM 0 HG2 ARG A 63 71.271 19.903 35.248 1.00 0.00 H new ATOM 0 HG3 ARG A 63 72.550 20.603 36.221 1.00 0.00 H new ATOM 0 HD2 ARG A 63 70.439 22.572 35.722 1.00 0.00 H new ATOM 0 HD3 ARG A 63 69.768 21.115 36.427 1.00 0.00 H new ATOM 0 HE ARG A 63 71.965 22.753 37.652 1.00 0.00 H new ATOM 0 HH11 ARG A 63 68.989 20.909 38.142 1.00 0.00 H new ATOM 0 HH12 ARG A 63 69.254 20.847 39.887 1.00 0.00 H new ATOM 0 HH21 ARG A 63 72.295 22.418 39.815 1.00 0.00 H new ATOM 0 HH22 ARG A 63 71.029 21.657 40.785 1.00 0.00 H new ATOM 965 N PRO A 64 74.468 20.970 31.306 1.00 0.00 N ATOM 966 CA PRO A 64 75.540 21.607 30.532 1.00 0.00 C ATOM 967 C PRO A 64 75.084 22.584 29.432 1.00 0.00 C ATOM 968 O PRO A 64 75.716 22.701 28.379 1.00 0.00 O ATOM 969 CB PRO A 64 76.374 20.430 30.024 1.00 0.00 C ATOM 970 CG PRO A 64 75.313 19.360 29.770 1.00 0.00 C ATOM 971 CD PRO A 64 74.377 19.556 30.958 1.00 0.00 C ATOM 0 HA PRO A 64 76.117 22.290 31.155 1.00 0.00 H new ATOM 0 HB2 PRO A 64 76.922 20.682 29.116 1.00 0.00 H new ATOM 0 HB3 PRO A 64 77.110 20.106 30.760 1.00 0.00 H new ATOM 0 HG2 PRO A 64 74.802 19.509 28.819 1.00 0.00 H new ATOM 0 HG3 PRO A 64 75.741 18.358 29.748 1.00 0.00 H new ATOM 0 HD2 PRO A 64 73.354 19.282 30.699 1.00 0.00 H new ATOM 0 HD3 PRO A 64 74.673 18.927 31.797 1.00 0.00 H new ATOM 979 N GLU A 65 73.983 23.290 29.678 1.00 0.00 N ATOM 980 CA GLU A 65 73.373 24.325 28.844 1.00 0.00 C ATOM 981 C GLU A 65 73.076 25.643 29.583 1.00 0.00 C ATOM 982 O GLU A 65 72.577 26.603 28.998 1.00 0.00 O ATOM 983 CB GLU A 65 72.102 23.791 28.156 1.00 0.00 C ATOM 984 CG GLU A 65 72.227 22.375 27.617 1.00 0.00 C ATOM 985 CD GLU A 65 71.371 22.125 26.365 1.00 0.00 C ATOM 986 OE1 GLU A 65 71.771 22.608 25.276 1.00 0.00 O ATOM 987 OE2 GLU A 65 70.325 21.438 26.451 1.00 0.00 O ATOM 0 H GLU A 65 73.451 23.142 30.535 1.00 0.00 H new ATOM 0 HA GLU A 65 74.122 24.572 28.092 1.00 0.00 H new ATOM 0 HB2 GLU A 65 71.277 23.824 28.868 1.00 0.00 H new ATOM 0 HB3 GLU A 65 71.841 24.458 27.334 1.00 0.00 H new ATOM 0 HG2 GLU A 65 73.272 22.174 27.381 1.00 0.00 H new ATOM 0 HG3 GLU A 65 71.935 21.670 28.395 1.00 0.00 H new ATOM 994 N ALA A 66 73.405 25.692 30.870 1.00 0.00 N ATOM 995 CA ALA A 66 73.175 26.794 31.793 1.00 0.00 C ATOM 996 C ALA A 66 74.281 26.827 32.864 1.00 0.00 C ATOM 997 O ALA A 66 75.126 25.933 32.962 1.00 0.00 O ATOM 998 CB ALA A 66 71.783 26.618 32.421 1.00 0.00 C ATOM 0 H ALA A 66 73.872 24.907 31.325 1.00 0.00 H new ATOM 0 HA ALA A 66 73.208 27.747 31.266 1.00 0.00 H new ATOM 0 HB1 ALA A 66 71.592 27.435 33.117 1.00 0.00 H new ATOM 0 HB2 ALA A 66 71.026 26.625 31.636 1.00 0.00 H new ATOM 0 HB3 ALA A 66 71.742 25.669 32.956 1.00 0.00 H new ATOM 1004 N LEU A 67 74.258 27.885 33.662 1.00 0.00 N ATOM 1005 CA LEU A 67 75.195 28.120 34.766 1.00 0.00 C ATOM 1006 C LEU A 67 74.451 28.243 36.103 1.00 0.00 C ATOM 1007 O LEU A 67 73.322 28.726 36.152 1.00 0.00 O ATOM 1008 CB LEU A 67 76.067 29.365 34.493 1.00 0.00 C ATOM 1009 CG LEU A 67 76.945 29.321 33.224 1.00 0.00 C ATOM 1010 CD1 LEU A 67 76.243 29.910 31.995 1.00 0.00 C ATOM 1011 CD2 LEU A 67 78.225 30.133 33.441 1.00 0.00 C ATOM 0 H LEU A 67 73.568 28.630 33.561 1.00 0.00 H new ATOM 0 HA LEU A 67 75.858 27.258 34.835 1.00 0.00 H new ATOM 0 HB2 LEU A 67 75.412 30.233 34.426 1.00 0.00 H new ATOM 0 HB3 LEU A 67 76.717 29.522 35.354 1.00 0.00 H new ATOM 0 HG LEU A 67 77.158 28.267 33.043 1.00 0.00 H new ATOM 0 HD11 LEU A 67 76.908 29.852 31.133 1.00 0.00 H new ATOM 0 HD12 LEU A 67 75.334 29.345 31.790 1.00 0.00 H new ATOM 0 HD13 LEU A 67 75.987 30.952 32.187 1.00 0.00 H new ATOM 0 HD21 LEU A 67 78.837 30.095 32.540 1.00 0.00 H new ATOM 0 HD22 LEU A 67 77.966 31.169 33.661 1.00 0.00 H new ATOM 0 HD23 LEU A 67 78.784 29.714 34.277 1.00 0.00 H new ATOM 1023 N LYS A 68 75.106 27.856 37.198 1.00 0.00 N ATOM 1024 CA LYS A 68 74.694 28.143 38.577 1.00 0.00 C ATOM 1025 C LYS A 68 75.394 29.401 39.097 1.00 0.00 C ATOM 1026 O LYS A 68 76.533 29.692 38.745 1.00 0.00 O ATOM 1027 CB LYS A 68 74.958 26.935 39.485 1.00 0.00 C ATOM 1028 CG LYS A 68 76.368 26.365 39.337 1.00 0.00 C ATOM 1029 CD LYS A 68 76.536 25.307 40.400 1.00 0.00 C ATOM 1030 CE LYS A 68 77.933 24.696 40.303 1.00 0.00 C ATOM 1031 NZ LYS A 68 78.130 23.666 41.343 1.00 0.00 N ATOM 0 H LYS A 68 75.969 27.315 37.150 1.00 0.00 H new ATOM 0 HA LYS A 68 73.621 28.333 38.586 1.00 0.00 H new ATOM 0 HB2 LYS A 68 74.799 27.228 40.523 1.00 0.00 H new ATOM 0 HB3 LYS A 68 74.232 26.154 39.259 1.00 0.00 H new ATOM 0 HG2 LYS A 68 76.508 25.938 38.344 1.00 0.00 H new ATOM 0 HG3 LYS A 68 77.115 27.150 39.455 1.00 0.00 H new ATOM 0 HD2 LYS A 68 76.387 25.743 41.388 1.00 0.00 H new ATOM 0 HD3 LYS A 68 75.780 24.531 40.277 1.00 0.00 H new ATOM 0 HE2 LYS A 68 78.074 24.254 39.316 1.00 0.00 H new ATOM 0 HE3 LYS A 68 78.685 25.478 40.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 79.086 23.265 41.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 78.018 24.096 42.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 77.426 22.911 41.221 1.00 0.00 H new ATOM 1045 N VAL A 69 74.739 30.148 39.979 1.00 0.00 N ATOM 1046 CA VAL A 69 75.303 31.357 40.591 1.00 0.00 C ATOM 1047 C VAL A 69 75.440 31.220 42.110 1.00 0.00 C ATOM 1048 O VAL A 69 74.505 30.790 42.791 1.00 0.00 O ATOM 1049 CB VAL A 69 74.446 32.595 40.276 1.00 0.00 C ATOM 1050 CG1 VAL A 69 75.181 33.849 40.770 1.00 0.00 C ATOM 1051 CG2 VAL A 69 74.054 32.769 38.802 1.00 0.00 C ATOM 0 H VAL A 69 73.793 29.934 40.295 1.00 0.00 H new ATOM 0 HA VAL A 69 76.296 31.483 40.159 1.00 0.00 H new ATOM 0 HB VAL A 69 73.502 32.443 40.800 1.00 0.00 H new ATOM 0 HG11 VAL A 69 74.581 34.732 40.551 1.00 0.00 H new ATOM 0 HG12 VAL A 69 75.341 33.777 41.846 1.00 0.00 H new ATOM 0 HG13 VAL A 69 76.143 33.930 40.264 1.00 0.00 H new ATOM 0 HG21 VAL A 69 73.452 33.671 38.690 1.00 0.00 H new ATOM 0 HG22 VAL A 69 74.954 32.856 38.194 1.00 0.00 H new ATOM 0 HG23 VAL A 69 73.477 31.904 38.474 1.00 0.00 H new ATOM 1061 N SER A 70 76.572 31.684 42.651 1.00 0.00 N ATOM 1062 CA SER A 70 76.769 31.844 44.108 1.00 0.00 C ATOM 1063 C SER A 70 76.954 33.263 44.622 1.00 0.00 C ATOM 1064 O SER A 70 77.584 34.110 43.991 1.00 0.00 O ATOM 1065 CB SER A 70 77.944 31.017 44.642 1.00 0.00 C ATOM 1066 OG SER A 70 79.179 31.278 44.004 1.00 0.00 O ATOM 0 H SER A 70 77.382 31.961 42.096 1.00 0.00 H new ATOM 0 HA SER A 70 75.813 31.482 44.486 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.052 31.209 45.709 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.708 29.959 44.531 1.00 0.00 H new ATOM 0 HG SER A 70 79.026 31.831 43.209 1.00 0.00 H new ATOM 1072 N CYS A 71 76.500 33.463 45.860 1.00 0.00 N ATOM 1073 CA CYS A 71 76.785 34.699 46.592 1.00 0.00 C ATOM 1074 C CYS A 71 78.185 34.609 47.242 1.00 0.00 C ATOM 1075 O CYS A 71 78.334 34.278 48.418 1.00 0.00 O ATOM 1076 CB CYS A 71 75.645 35.015 47.572 1.00 0.00 C ATOM 1077 SG CYS A 71 75.920 36.680 48.236 1.00 0.00 S ATOM 0 H CYS A 71 75.935 32.788 46.376 1.00 0.00 H new ATOM 0 HA CYS A 71 76.823 35.549 45.911 1.00 0.00 H new ATOM 0 HB2 CYS A 71 74.681 34.961 47.065 1.00 0.00 H new ATOM 0 HB3 CYS A 71 75.622 34.282 48.379 1.00 0.00 H new ATOM 0 HG CYS A 71 75.310 36.798 49.378 1.00 0.00 H new ATOM 1082 N GLY A 72 79.220 34.824 46.436 1.00 0.00 N ATOM 1083 CA GLY A 72 80.634 34.619 46.803 1.00 0.00 C ATOM 1084 C GLY A 72 81.258 35.594 47.815 1.00 0.00 C ATOM 1085 O GLY A 72 82.482 35.675 47.900 1.00 0.00 O ATOM 0 H GLY A 72 79.104 35.156 45.478 1.00 0.00 H new ATOM 0 HA2 GLY A 72 80.734 33.610 47.204 1.00 0.00 H new ATOM 0 HA3 GLY A 72 81.227 34.659 45.889 1.00 0.00 H new ATOM 1089 N LYS A 73 80.463 36.358 48.572 1.00 0.00 N ATOM 1090 CA LYS A 73 80.905 37.180 49.696 1.00 0.00 C ATOM 1091 C LYS A 73 80.997 36.363 50.993 1.00 0.00 C ATOM 1092 O LYS A 73 82.054 36.230 51.607 1.00 0.00 O ATOM 1093 CB LYS A 73 79.961 38.356 49.816 1.00 0.00 C ATOM 1094 CG LYS A 73 80.400 39.564 48.969 1.00 0.00 C ATOM 1095 CD LYS A 73 79.176 40.107 48.242 1.00 0.00 C ATOM 1096 CE LYS A 73 79.488 41.370 47.433 1.00 0.00 C ATOM 1097 NZ LYS A 73 78.268 41.842 46.738 1.00 0.00 N ATOM 0 H LYS A 73 79.458 36.421 48.410 1.00 0.00 H new ATOM 0 HA LYS A 73 81.914 37.550 49.516 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.962 38.047 49.509 1.00 0.00 H new ATOM 0 HB3 LYS A 73 79.894 38.657 50.862 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.838 40.334 49.604 1.00 0.00 H new ATOM 0 HG3 LYS A 73 81.167 39.268 48.253 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.783 39.340 47.575 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.394 40.328 48.968 1.00 0.00 H new ATOM 0 HE2 LYS A 73 79.865 42.151 48.094 1.00 0.00 H new ATOM 0 HE3 LYS A 73 80.273 41.161 46.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 78.532 42.517 45.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 77.776 41.031 46.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 77.638 42.309 47.421 1.00 0.00 H new ATOM 1111 N CYS A 74 79.872 35.748 51.338 1.00 0.00 N ATOM 1112 CA CYS A 74 79.681 34.780 52.390 1.00 0.00 C ATOM 1113 C CYS A 74 79.987 33.354 51.894 1.00 0.00 C ATOM 1114 O CYS A 74 80.586 32.545 52.611 1.00 0.00 O ATOM 1115 CB CYS A 74 78.234 34.974 52.840 1.00 0.00 C ATOM 1116 SG CYS A 74 77.020 35.046 51.476 1.00 0.00 S ATOM 0 H CYS A 74 79.001 35.936 50.841 1.00 0.00 H new ATOM 0 HA CYS A 74 80.363 34.921 53.228 1.00 0.00 H new ATOM 0 HB2 CYS A 74 77.962 34.157 53.509 1.00 0.00 H new ATOM 0 HB3 CYS A 74 78.167 35.895 53.418 1.00 0.00 H new ATOM 0 HG CYS A 74 76.884 36.277 51.081 1.00 0.00 H new ATOM 1121 N GLY A 75 79.606 33.081 50.645 1.00 0.00 N ATOM 1122 CA GLY A 75 79.749 31.807 49.964 1.00 0.00 C ATOM 1123 C GLY A 75 78.454 31.003 49.983 1.00 0.00 C ATOM 1124 O GLY A 75 78.376 29.951 50.614 1.00 0.00 O ATOM 0 H GLY A 75 79.166 33.787 50.055 1.00 0.00 H new ATOM 0 HA2 GLY A 75 80.054 31.979 48.932 1.00 0.00 H new ATOM 0 HA3 GLY A 75 80.542 31.229 50.438 1.00 0.00 H new ATOM 1128 N ASN A 76 77.420 31.514 49.309 1.00 0.00 N ATOM 1129 CA ASN A 76 76.194 30.783 49.035 1.00 0.00 C ATOM 1130 C ASN A 76 76.387 29.943 47.751 1.00 0.00 C ATOM 1131 O ASN A 76 77.506 29.563 47.410 1.00 0.00 O ATOM 1132 CB ASN A 76 75.036 31.792 49.072 1.00 0.00 C ATOM 1133 CG ASN A 76 73.705 31.191 49.483 1.00 0.00 C ATOM 1134 OD1 ASN A 76 73.573 29.993 49.624 1.00 0.00 O ATOM 1135 ND2 ASN A 76 72.674 31.984 49.654 1.00 0.00 N ATOM 0 H ASN A 76 77.418 32.463 48.935 1.00 0.00 H new ATOM 0 HA ASN A 76 75.934 30.035 49.784 1.00 0.00 H new ATOM 0 HB2 ASN A 76 75.289 32.595 49.764 1.00 0.00 H new ATOM 0 HB3 ASN A 76 74.930 32.243 48.086 1.00 0.00 H new ATOM 0 HD21 ASN A 76 71.766 31.593 49.905 1.00 0.00 H new ATOM 0 HD22 ASN A 76 72.781 32.992 49.536 1.00 0.00 H new ATOM 1142 N GLY A 77 75.324 29.664 47.004 1.00 0.00 N ATOM 1143 CA GLY A 77 75.397 28.958 45.721 1.00 0.00 C ATOM 1144 C GLY A 77 74.161 28.248 45.208 1.00 0.00 C ATOM 1145 O GLY A 77 74.205 27.061 44.903 1.00 0.00 O ATOM 0 H GLY A 77 74.374 29.923 47.272 1.00 0.00 H new ATOM 0 HA2 GLY A 77 75.701 29.680 44.964 1.00 0.00 H new ATOM 0 HA3 GLY A 77 76.195 28.219 45.796 1.00 0.00 H new ATOM 1149 N LEU A 78 73.059 28.990 45.152 1.00 0.00 N ATOM 1150 CA LEU A 78 71.715 28.433 44.956 1.00 0.00 C ATOM 1151 C LEU A 78 70.987 29.002 43.730 1.00 0.00 C ATOM 1152 O LEU A 78 69.934 28.494 43.353 1.00 0.00 O ATOM 1153 CB LEU A 78 70.853 28.693 46.202 1.00 0.00 C ATOM 1154 CG LEU A 78 71.545 28.750 47.571 1.00 0.00 C ATOM 1155 CD1 LEU A 78 70.509 29.026 48.656 1.00 0.00 C ATOM 1156 CD2 LEU A 78 72.305 27.489 47.978 1.00 0.00 C ATOM 0 H LEU A 78 73.069 30.006 45.242 1.00 0.00 H new ATOM 0 HA LEU A 78 71.854 27.365 44.787 1.00 0.00 H new ATOM 0 HB2 LEU A 78 70.333 29.639 46.054 1.00 0.00 H new ATOM 0 HB3 LEU A 78 70.092 27.914 46.247 1.00 0.00 H new ATOM 0 HG LEU A 78 72.283 29.546 47.471 1.00 0.00 H new ATOM 0 HD11 LEU A 78 71.002 29.066 49.628 1.00 0.00 H new ATOM 0 HD12 LEU A 78 70.019 29.979 48.458 1.00 0.00 H new ATOM 0 HD13 LEU A 78 69.765 28.230 48.659 1.00 0.00 H new ATOM 0 HD21 LEU A 78 72.755 27.636 48.960 1.00 0.00 H new ATOM 0 HD22 LEU A 78 71.616 26.646 48.018 1.00 0.00 H new ATOM 0 HD23 LEU A 78 73.087 27.284 47.247 1.00 0.00 H new ATOM 1168 N GLY A 79 71.491 30.093 43.151 1.00 0.00 N ATOM 1169 CA GLY A 79 70.885 30.701 41.965 1.00 0.00 C ATOM 1170 C GLY A 79 71.377 30.071 40.666 1.00 0.00 C ATOM 1171 O GLY A 79 72.178 29.137 40.658 1.00 0.00 O ATOM 0 H GLY A 79 72.324 30.577 43.487 1.00 0.00 H new ATOM 0 HA2 GLY A 79 69.801 30.602 42.024 1.00 0.00 H new ATOM 0 HA3 GLY A 79 71.108 31.768 41.954 1.00 0.00 H new ATOM 1175 N HIS A 80 70.894 30.606 39.554 1.00 0.00 N ATOM 1176 CA HIS A 80 71.247 30.221 38.190 1.00 0.00 C ATOM 1177 C HIS A 80 71.262 31.400 37.207 1.00 0.00 C ATOM 1178 O HIS A 80 70.635 32.438 37.393 1.00 0.00 O ATOM 1179 CB HIS A 80 70.285 29.150 37.687 1.00 0.00 C ATOM 1180 CG HIS A 80 70.779 27.728 37.813 1.00 0.00 C ATOM 1181 ND1 HIS A 80 71.154 27.071 38.963 1.00 0.00 N ATOM 1182 CD2 HIS A 80 70.982 26.856 36.778 1.00 0.00 C ATOM 1183 CE1 HIS A 80 71.552 25.831 38.627 1.00 0.00 C ATOM 1184 NE2 HIS A 80 71.458 25.650 37.301 1.00 0.00 N ATOM 0 H HIS A 80 70.208 31.361 39.577 1.00 0.00 H new ATOM 0 HA HIS A 80 72.265 29.833 38.233 1.00 0.00 H new ATOM 0 HB2 HIS A 80 69.347 29.241 38.235 1.00 0.00 H new ATOM 0 HB3 HIS A 80 70.062 29.348 36.639 1.00 0.00 H new ATOM 0 HD1 HIS A 80 71.134 27.458 39.907 1.00 0.00 H new ATOM 0 HD2 HIS A 80 70.804 27.064 35.733 1.00 0.00 H new ATOM 0 HE1 HIS A 80 71.899 25.085 39.327 1.00 0.00 H new ATOM 1192 N GLU A 81 71.966 31.164 36.114 1.00 0.00 N ATOM 1193 CA GLU A 81 72.193 32.039 34.971 1.00 0.00 C ATOM 1194 C GLU A 81 72.101 31.199 33.685 1.00 0.00 C ATOM 1195 O GLU A 81 72.950 30.356 33.399 1.00 0.00 O ATOM 1196 CB GLU A 81 73.570 32.683 35.153 1.00 0.00 C ATOM 1197 CG GLU A 81 73.947 33.684 34.054 1.00 0.00 C ATOM 1198 CD GLU A 81 75.400 34.164 34.204 1.00 0.00 C ATOM 1199 OE1 GLU A 81 76.335 33.371 33.938 1.00 0.00 O ATOM 1200 OE2 GLU A 81 75.620 35.354 34.525 1.00 0.00 O ATOM 0 H GLU A 81 72.440 30.269 35.990 1.00 0.00 H new ATOM 0 HA GLU A 81 71.447 32.830 34.897 1.00 0.00 H new ATOM 0 HB2 GLU A 81 73.596 33.192 36.117 1.00 0.00 H new ATOM 0 HB3 GLU A 81 74.324 31.897 35.187 1.00 0.00 H new ATOM 0 HG2 GLU A 81 73.815 33.220 33.077 1.00 0.00 H new ATOM 0 HG3 GLU A 81 73.274 34.540 34.094 1.00 0.00 H new ATOM 1207 N PHE A 82 71.028 31.367 32.921 1.00 0.00 N ATOM 1208 CA PHE A 82 70.749 30.561 31.727 1.00 0.00 C ATOM 1209 C PHE A 82 71.215 31.266 30.438 1.00 0.00 C ATOM 1210 O PHE A 82 71.008 32.472 30.266 1.00 0.00 O ATOM 1211 CB PHE A 82 69.245 30.226 31.726 1.00 0.00 C ATOM 1212 CG PHE A 82 68.637 29.783 30.406 1.00 0.00 C ATOM 1213 CD1 PHE A 82 68.271 30.741 29.439 1.00 0.00 C ATOM 1214 CD2 PHE A 82 68.395 28.418 30.156 1.00 0.00 C ATOM 1215 CE1 PHE A 82 67.668 30.340 28.233 1.00 0.00 C ATOM 1216 CE2 PHE A 82 67.795 28.017 28.949 1.00 0.00 C ATOM 1217 CZ PHE A 82 67.432 28.976 27.988 1.00 0.00 C ATOM 0 H PHE A 82 70.317 32.073 33.111 1.00 0.00 H new ATOM 0 HA PHE A 82 71.318 29.632 31.754 1.00 0.00 H new ATOM 0 HB2 PHE A 82 69.073 29.438 32.459 1.00 0.00 H new ATOM 0 HB3 PHE A 82 68.702 31.106 32.071 1.00 0.00 H new ATOM 0 HD1 PHE A 82 68.455 31.789 29.625 1.00 0.00 H new ATOM 0 HD2 PHE A 82 68.671 27.678 30.893 1.00 0.00 H new ATOM 0 HE1 PHE A 82 67.387 31.079 27.497 1.00 0.00 H new ATOM 0 HE2 PHE A 82 67.613 26.969 28.760 1.00 0.00 H new ATOM 0 HZ PHE A 82 66.972 28.665 27.062 1.00 0.00 H new ATOM 1227 N LEU A 83 71.804 30.496 29.516 1.00 0.00 N ATOM 1228 CA LEU A 83 72.541 30.968 28.336 1.00 0.00 C ATOM 1229 C LEU A 83 72.282 30.057 27.114 1.00 0.00 C ATOM 1230 O LEU A 83 71.428 29.177 27.152 1.00 0.00 O ATOM 1231 CB LEU A 83 74.043 31.033 28.731 1.00 0.00 C ATOM 1232 CG LEU A 83 74.771 32.369 28.486 1.00 0.00 C ATOM 1233 CD1 LEU A 83 74.774 32.788 27.013 1.00 0.00 C ATOM 1234 CD2 LEU A 83 74.181 33.506 29.322 1.00 0.00 C ATOM 0 H LEU A 83 71.779 29.478 29.574 1.00 0.00 H new ATOM 0 HA LEU A 83 72.202 31.958 28.032 1.00 0.00 H new ATOM 0 HB2 LEU A 83 74.126 30.791 29.791 1.00 0.00 H new ATOM 0 HB3 LEU A 83 74.572 30.253 28.183 1.00 0.00 H new ATOM 0 HG LEU A 83 75.801 32.189 28.794 1.00 0.00 H new ATOM 0 HD11 LEU A 83 75.301 33.736 26.905 1.00 0.00 H new ATOM 0 HD12 LEU A 83 75.276 32.024 26.419 1.00 0.00 H new ATOM 0 HD13 LEU A 83 73.747 32.902 26.665 1.00 0.00 H new ATOM 0 HD21 LEU A 83 74.725 34.428 29.117 1.00 0.00 H new ATOM 0 HD22 LEU A 83 73.130 33.640 29.065 1.00 0.00 H new ATOM 0 HD23 LEU A 83 74.267 33.262 30.381 1.00 0.00 H new ATOM 1246 N ASN A 84 73.015 30.272 26.014 1.00 0.00 N ATOM 1247 CA ASN A 84 73.102 29.426 24.807 1.00 0.00 C ATOM 1248 C ASN A 84 71.857 29.400 23.906 1.00 0.00 C ATOM 1249 O ASN A 84 71.859 28.825 22.819 1.00 0.00 O ATOM 1250 CB ASN A 84 73.591 28.025 25.164 1.00 0.00 C ATOM 1251 CG ASN A 84 74.805 27.965 26.018 1.00 0.00 C ATOM 1252 OD1 ASN A 84 75.927 28.143 25.579 1.00 0.00 O ATOM 1253 ND2 ASN A 84 74.604 27.620 27.256 1.00 0.00 N ATOM 0 H ASN A 84 73.606 31.099 25.934 1.00 0.00 H new ATOM 0 HA ASN A 84 73.845 29.916 24.177 1.00 0.00 H new ATOM 0 HB2 ASN A 84 72.785 27.497 25.673 1.00 0.00 H new ATOM 0 HB3 ASN A 84 73.792 27.484 24.240 1.00 0.00 H new ATOM 0 HD21 ASN A 84 75.397 27.492 27.885 1.00 0.00 H new ATOM 0 HD22 ASN A 84 73.654 27.477 27.598 1.00 0.00 H new ATOM 1260 N ASP A 85 70.813 30.093 24.331 1.00 0.00 N ATOM 1261 CA ASP A 85 69.514 30.118 23.666 1.00 0.00 C ATOM 1262 C ASP A 85 69.465 31.161 22.544 1.00 0.00 C ATOM 1263 O ASP A 85 68.989 30.905 21.439 1.00 0.00 O ATOM 1264 CB ASP A 85 68.482 30.360 24.771 1.00 0.00 C ATOM 1265 CG ASP A 85 67.043 30.300 24.282 1.00 0.00 C ATOM 1266 OD1 ASP A 85 66.671 29.363 23.545 1.00 0.00 O ATOM 1267 OD2 ASP A 85 66.244 31.191 24.648 1.00 0.00 O ATOM 0 H ASP A 85 70.843 30.671 25.171 1.00 0.00 H new ATOM 0 HA ASP A 85 69.303 29.178 23.156 1.00 0.00 H new ATOM 0 HB2 ASP A 85 68.622 29.617 25.556 1.00 0.00 H new ATOM 0 HB3 ASP A 85 68.664 31.336 25.220 1.00 0.00 H new ATOM 1272 N GLY A 86 70.040 32.330 22.820 1.00 0.00 N ATOM 1273 CA GLY A 86 69.908 33.529 22.017 1.00 0.00 C ATOM 1274 C GLY A 86 71.024 34.579 22.140 1.00 0.00 C ATOM 1275 O GLY A 86 70.696 35.755 22.295 1.00 0.00 O ATOM 0 H GLY A 86 70.631 32.466 23.640 1.00 0.00 H new ATOM 0 HA2 GLY A 86 69.838 33.230 20.971 1.00 0.00 H new ATOM 0 HA3 GLY A 86 68.963 34.007 22.275 1.00 0.00 H new ATOM 1279 N PRO A 87 72.322 34.215 22.072 1.00 0.00 N ATOM 1280 CA PRO A 87 73.460 35.058 22.485 1.00 0.00 C ATOM 1281 C PRO A 87 73.590 36.439 21.820 1.00 0.00 C ATOM 1282 O PRO A 87 74.241 37.323 22.372 1.00 0.00 O ATOM 1283 CB PRO A 87 74.704 34.210 22.199 1.00 0.00 C ATOM 1284 CG PRO A 87 74.248 33.184 21.164 1.00 0.00 C ATOM 1285 CD PRO A 87 72.808 32.928 21.595 1.00 0.00 C ATOM 0 HA PRO A 87 73.315 35.323 23.532 1.00 0.00 H new ATOM 0 HB2 PRO A 87 75.520 34.822 21.816 1.00 0.00 H new ATOM 0 HB3 PRO A 87 75.068 33.724 23.104 1.00 0.00 H new ATOM 0 HG2 PRO A 87 74.308 33.574 20.148 1.00 0.00 H new ATOM 0 HG3 PRO A 87 74.851 32.277 21.194 1.00 0.00 H new ATOM 0 HD2 PRO A 87 72.206 32.563 20.763 1.00 0.00 H new ATOM 0 HD3 PRO A 87 72.759 32.173 22.379 1.00 0.00 H new ATOM 1293 N LYS A 88 72.973 36.640 20.651 1.00 0.00 N ATOM 1294 CA LYS A 88 72.923 37.934 19.951 1.00 0.00 C ATOM 1295 C LYS A 88 72.099 39.016 20.664 1.00 0.00 C ATOM 1296 O LYS A 88 72.332 40.201 20.459 1.00 0.00 O ATOM 1297 CB LYS A 88 72.428 37.727 18.510 1.00 0.00 C ATOM 1298 CG LYS A 88 73.410 36.918 17.658 1.00 0.00 C ATOM 1299 CD LYS A 88 72.969 36.776 16.194 1.00 0.00 C ATOM 1300 CE LYS A 88 72.942 38.126 15.466 1.00 0.00 C ATOM 1301 NZ LYS A 88 72.790 37.952 14.006 1.00 0.00 N ATOM 0 H LYS A 88 72.484 35.896 20.153 1.00 0.00 H new ATOM 0 HA LYS A 88 73.944 38.317 19.948 1.00 0.00 H new ATOM 0 HB2 LYS A 88 71.465 37.216 18.531 1.00 0.00 H new ATOM 0 HB3 LYS A 88 72.264 38.698 18.044 1.00 0.00 H new ATOM 0 HG2 LYS A 88 74.389 37.397 17.691 1.00 0.00 H new ATOM 0 HG3 LYS A 88 73.526 35.925 18.093 1.00 0.00 H new ATOM 0 HD2 LYS A 88 73.647 36.099 15.676 1.00 0.00 H new ATOM 0 HD3 LYS A 88 71.978 36.325 16.157 1.00 0.00 H new ATOM 0 HE2 LYS A 88 72.120 38.730 15.849 1.00 0.00 H new ATOM 0 HE3 LYS A 88 73.862 38.671 15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 72.776 38.884 13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 73.588 37.396 13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 71.899 37.453 13.807 1.00 0.00 H new ATOM 1315 N ARG A 89 71.112 38.624 21.473 1.00 0.00 N ATOM 1316 CA ARG A 89 70.229 39.495 22.232 1.00 0.00 C ATOM 1317 C ARG A 89 70.873 40.096 23.479 1.00 0.00 C ATOM 1318 O ARG A 89 71.855 39.579 24.011 1.00 0.00 O ATOM 1319 CB ARG A 89 68.945 38.734 22.565 1.00 0.00 C ATOM 1320 CG ARG A 89 67.998 38.754 21.391 1.00 0.00 C ATOM 1321 CD ARG A 89 68.255 37.832 20.197 1.00 0.00 C ATOM 1322 NE ARG A 89 67.391 38.249 19.080 1.00 0.00 N ATOM 1323 CZ ARG A 89 67.702 38.333 17.802 1.00 0.00 C ATOM 1324 NH1 ARG A 89 68.767 37.795 17.290 1.00 0.00 N ATOM 1325 NH2 ARG A 89 66.927 39.004 17.012 1.00 0.00 N ATOM 0 H ARG A 89 70.901 37.637 21.620 1.00 0.00 H new ATOM 0 HA ARG A 89 69.997 40.356 21.605 1.00 0.00 H new ATOM 0 HB2 ARG A 89 69.184 37.704 22.829 1.00 0.00 H new ATOM 0 HB3 ARG A 89 68.465 39.183 23.435 1.00 0.00 H new ATOM 0 HG2 ARG A 89 67.002 38.525 21.771 1.00 0.00 H new ATOM 0 HG3 ARG A 89 67.968 39.776 21.013 1.00 0.00 H new ATOM 0 HD2 ARG A 89 69.303 37.880 19.902 1.00 0.00 H new ATOM 0 HD3 ARG A 89 68.048 36.797 20.468 1.00 0.00 H new ATOM 0 HE ARG A 89 66.434 38.504 19.325 1.00 0.00 H new ATOM 0 HH11 ARG A 89 69.412 37.276 17.885 1.00 0.00 H new ATOM 0 HH12 ARG A 89 68.958 37.892 16.293 1.00 0.00 H new ATOM 0 HH21 ARG A 89 66.091 39.457 17.381 1.00 0.00 H new ATOM 0 HH22 ARG A 89 67.152 39.080 16.020 1.00 0.00 H new ATOM 1339 N GLY A 90 70.249 41.155 23.985 1.00 0.00 N ATOM 1340 CA GLY A 90 70.487 41.703 25.314 1.00 0.00 C ATOM 1341 C GLY A 90 69.853 40.895 26.451 1.00 0.00 C ATOM 1342 O GLY A 90 70.130 41.122 27.624 1.00 0.00 O ATOM 0 H GLY A 90 69.541 41.672 23.463 1.00 0.00 H new ATOM 0 HA2 GLY A 90 71.562 41.763 25.482 1.00 0.00 H new ATOM 0 HA3 GLY A 90 70.101 42.722 25.349 1.00 0.00 H new ATOM 1346 N GLN A 91 69.008 39.930 26.099 1.00 0.00 N ATOM 1347 CA GLN A 91 68.406 38.976 27.009 1.00 0.00 C ATOM 1348 C GLN A 91 69.448 38.104 27.721 1.00 0.00 C ATOM 1349 O GLN A 91 70.513 37.771 27.195 1.00 0.00 O ATOM 1350 CB GLN A 91 67.404 38.092 26.261 1.00 0.00 C ATOM 1351 CG GLN A 91 66.079 38.785 25.947 1.00 0.00 C ATOM 1352 CD GLN A 91 65.071 37.797 25.366 1.00 0.00 C ATOM 1353 OE1 GLN A 91 64.521 36.948 26.050 1.00 0.00 O ATOM 1354 NE2 GLN A 91 64.813 37.848 24.079 1.00 0.00 N ATOM 0 H GLN A 91 68.716 39.791 25.132 1.00 0.00 H new ATOM 0 HA GLN A 91 67.888 39.550 27.777 1.00 0.00 H new ATOM 0 HB2 GLN A 91 67.857 37.756 25.328 1.00 0.00 H new ATOM 0 HB3 GLN A 91 67.204 37.202 26.857 1.00 0.00 H new ATOM 0 HG2 GLN A 91 65.674 39.232 26.855 1.00 0.00 H new ATOM 0 HG3 GLN A 91 66.247 39.597 25.240 1.00 0.00 H new ATOM 0 HE21 GLN A 91 65.265 38.552 23.496 1.00 0.00 H new ATOM 0 HE22 GLN A 91 64.160 37.184 23.663 1.00 0.00 H new ATOM 1363 N SER A 92 69.082 37.721 28.930 1.00 0.00 N ATOM 1364 CA SER A 92 69.836 36.992 29.930 1.00 0.00 C ATOM 1365 C SER A 92 68.809 36.621 30.997 1.00 0.00 C ATOM 1366 O SER A 92 68.049 37.475 31.463 1.00 0.00 O ATOM 1367 CB SER A 92 70.942 37.870 30.532 1.00 0.00 C ATOM 1368 OG SER A 92 70.492 39.167 30.876 1.00 0.00 O ATOM 0 H SER A 92 68.146 37.938 29.271 1.00 0.00 H new ATOM 0 HA SER A 92 70.332 36.118 29.509 1.00 0.00 H new ATOM 0 HB2 SER A 92 71.342 37.382 31.421 1.00 0.00 H new ATOM 0 HB3 SER A 92 71.761 37.953 29.818 1.00 0.00 H new ATOM 0 HG SER A 92 70.544 39.284 31.848 1.00 0.00 H new ATOM 1374 N ARG A 93 68.700 35.338 31.335 1.00 0.00 N ATOM 1375 CA ARG A 93 67.786 34.886 32.397 1.00 0.00 C ATOM 1376 C ARG A 93 68.569 34.507 33.644 1.00 0.00 C ATOM 1377 O ARG A 93 69.190 33.447 33.703 1.00 0.00 O ATOM 1378 CB ARG A 93 66.845 33.773 31.927 1.00 0.00 C ATOM 1379 CG ARG A 93 65.973 34.196 30.732 1.00 0.00 C ATOM 1380 CD ARG A 93 64.812 33.222 30.484 1.00 0.00 C ATOM 1381 NE ARG A 93 65.268 31.856 30.155 1.00 0.00 N ATOM 1382 CZ ARG A 93 64.565 30.746 30.288 1.00 0.00 C ATOM 1383 NH1 ARG A 93 63.338 30.744 30.718 1.00 0.00 N ATOM 1384 NH2 ARG A 93 65.096 29.597 29.987 1.00 0.00 N ATOM 0 H ARG A 93 69.231 34.588 30.892 1.00 0.00 H new ATOM 0 HA ARG A 93 67.135 35.721 32.657 1.00 0.00 H new ATOM 0 HB2 ARG A 93 67.434 32.898 31.650 1.00 0.00 H new ATOM 0 HB3 ARG A 93 66.201 33.475 32.754 1.00 0.00 H new ATOM 0 HG2 ARG A 93 65.575 35.195 30.911 1.00 0.00 H new ATOM 0 HG3 ARG A 93 66.592 34.256 29.837 1.00 0.00 H new ATOM 0 HD2 ARG A 93 64.180 33.185 31.371 1.00 0.00 H new ATOM 0 HD3 ARG A 93 64.195 33.600 29.669 1.00 0.00 H new ATOM 0 HE ARG A 93 66.216 31.761 29.790 1.00 0.00 H new ATOM 0 HH11 ARG A 93 62.883 31.622 30.967 1.00 0.00 H new ATOM 0 HH12 ARG A 93 62.830 29.864 30.806 1.00 0.00 H new ATOM 0 HH21 ARG A 93 66.057 29.552 29.648 1.00 0.00 H new ATOM 0 HH22 ARG A 93 64.551 28.741 30.090 1.00 0.00 H new ATOM 1398 N PHE A 94 68.497 35.381 34.636 1.00 0.00 N ATOM 1399 CA PHE A 94 69.077 35.207 35.961 1.00 0.00 C ATOM 1400 C PHE A 94 67.949 34.829 36.929 1.00 0.00 C ATOM 1401 O PHE A 94 66.960 35.550 37.076 1.00 0.00 O ATOM 1402 CB PHE A 94 69.825 36.488 36.357 1.00 0.00 C ATOM 1403 CG PHE A 94 70.634 36.387 37.637 1.00 0.00 C ATOM 1404 CD1 PHE A 94 69.991 36.392 38.891 1.00 0.00 C ATOM 1405 CD2 PHE A 94 72.038 36.311 37.577 1.00 0.00 C ATOM 1406 CE1 PHE A 94 70.747 36.311 40.075 1.00 0.00 C ATOM 1407 CE2 PHE A 94 72.794 36.247 38.760 1.00 0.00 C ATOM 1408 CZ PHE A 94 72.149 36.240 40.010 1.00 0.00 C ATOM 0 H PHE A 94 68.011 36.272 34.536 1.00 0.00 H new ATOM 0 HA PHE A 94 69.812 34.403 35.984 1.00 0.00 H new ATOM 0 HB2 PHE A 94 70.494 36.767 35.543 1.00 0.00 H new ATOM 0 HB3 PHE A 94 69.101 37.295 36.465 1.00 0.00 H new ATOM 0 HD1 PHE A 94 68.914 36.458 38.943 1.00 0.00 H new ATOM 0 HD2 PHE A 94 72.536 36.302 36.619 1.00 0.00 H new ATOM 0 HE1 PHE A 94 70.250 36.303 41.034 1.00 0.00 H new ATOM 0 HE2 PHE A 94 73.872 36.203 38.709 1.00 0.00 H new ATOM 0 HZ PHE A 94 72.730 36.180 40.918 1.00 0.00 H new ATOM 1418 N CYS A 95 68.081 33.671 37.565 1.00 0.00 N ATOM 1419 CA CYS A 95 67.085 33.085 38.453 1.00 0.00 C ATOM 1420 C CYS A 95 67.703 32.759 39.820 1.00 0.00 C ATOM 1421 O CYS A 95 68.904 32.518 39.925 1.00 0.00 O ATOM 1422 CB CYS A 95 66.478 31.858 37.760 1.00 0.00 C ATOM 1423 SG CYS A 95 64.994 31.321 38.655 1.00 0.00 S ATOM 0 H CYS A 95 68.916 33.093 37.473 1.00 0.00 H new ATOM 0 HA CYS A 95 66.282 33.795 38.651 1.00 0.00 H new ATOM 0 HB2 CYS A 95 66.224 32.100 36.728 1.00 0.00 H new ATOM 0 HB3 CYS A 95 67.208 31.049 37.728 1.00 0.00 H new ATOM 0 HG CYS A 95 64.482 30.283 38.063 1.00 0.00 H new ATOM 1429 N ILE A 96 66.914 32.771 40.891 1.00 0.00 N ATOM 1430 CA ILE A 96 67.419 32.695 42.261 1.00 0.00 C ATOM 1431 C ILE A 96 66.518 31.856 43.176 1.00 0.00 C ATOM 1432 O ILE A 96 65.349 31.628 42.875 1.00 0.00 O ATOM 1433 CB ILE A 96 67.550 34.151 42.751 1.00 0.00 C ATOM 1434 CG1 ILE A 96 68.524 34.380 43.915 1.00 0.00 C ATOM 1435 CG2 ILE A 96 66.200 34.810 43.093 1.00 0.00 C ATOM 1436 CD1 ILE A 96 69.923 33.795 43.683 1.00 0.00 C ATOM 0 H ILE A 96 65.898 32.834 40.833 1.00 0.00 H new ATOM 0 HA ILE A 96 68.382 32.185 42.287 1.00 0.00 H new ATOM 0 HB ILE A 96 67.982 34.636 41.876 1.00 0.00 H new ATOM 0 HG12 ILE A 96 68.615 35.451 44.094 1.00 0.00 H new ATOM 0 HG13 ILE A 96 68.103 33.940 44.819 1.00 0.00 H new ATOM 0 HG21 ILE A 96 66.369 35.832 43.431 1.00 0.00 H new ATOM 0 HG22 ILE A 96 65.566 34.821 42.207 1.00 0.00 H new ATOM 0 HG23 ILE A 96 65.709 34.244 43.884 1.00 0.00 H new ATOM 0 HD11 ILE A 96 70.551 33.999 44.550 1.00 0.00 H new ATOM 0 HD12 ILE A 96 69.847 32.718 43.535 1.00 0.00 H new ATOM 0 HD13 ILE A 96 70.366 34.252 42.799 1.00 0.00 H new ATOM 1448 N PHE A 97 67.049 31.440 44.325 1.00 0.00 N ATOM 1449 CA PHE A 97 66.267 30.729 45.350 1.00 0.00 C ATOM 1450 C PHE A 97 65.569 31.671 46.330 1.00 0.00 C ATOM 1451 O PHE A 97 66.148 32.682 46.730 1.00 0.00 O ATOM 1452 CB PHE A 97 67.121 29.720 46.140 1.00 0.00 C ATOM 1453 CG PHE A 97 66.603 28.298 46.012 1.00 0.00 C ATOM 1454 CD1 PHE A 97 66.979 27.502 44.914 1.00 0.00 C ATOM 1455 CD2 PHE A 97 65.672 27.797 46.944 1.00 0.00 C ATOM 1456 CE1 PHE A 97 66.423 26.222 44.744 1.00 0.00 C ATOM 1457 CE2 PHE A 97 65.106 26.521 46.767 1.00 0.00 C ATOM 1458 CZ PHE A 97 65.476 25.734 45.662 1.00 0.00 C ATOM 0 H PHE A 97 68.027 31.583 44.576 1.00 0.00 H new ATOM 0 HA PHE A 97 65.502 30.189 44.793 1.00 0.00 H new ATOM 0 HB2 PHE A 97 68.150 29.762 45.784 1.00 0.00 H new ATOM 0 HB3 PHE A 97 67.135 30.005 47.192 1.00 0.00 H new ATOM 0 HD1 PHE A 97 67.697 27.876 44.199 1.00 0.00 H new ATOM 0 HD2 PHE A 97 65.392 28.395 47.798 1.00 0.00 H new ATOM 0 HE1 PHE A 97 66.724 25.611 43.906 1.00 0.00 H new ATOM 0 HE2 PHE A 97 64.387 26.146 47.480 1.00 0.00 H new ATOM 0 HZ PHE A 97 65.035 24.759 45.519 1.00 0.00 H new ATOM 1468 N SER A 98 64.417 31.223 46.839 1.00 0.00 N ATOM 1469 CA SER A 98 63.663 31.796 47.970 1.00 0.00 C ATOM 1470 C SER A 98 64.499 32.142 49.210 1.00 0.00 C ATOM 1471 O SER A 98 64.112 33.004 49.991 1.00 0.00 O ATOM 1472 CB SER A 98 62.613 30.776 48.411 1.00 0.00 C ATOM 1473 OG SER A 98 63.232 29.553 48.779 1.00 0.00 O ATOM 0 H SER A 98 63.954 30.401 46.452 1.00 0.00 H new ATOM 0 HA SER A 98 63.247 32.732 47.598 1.00 0.00 H new ATOM 0 HB2 SER A 98 62.045 31.171 49.253 1.00 0.00 H new ATOM 0 HB3 SER A 98 61.904 30.602 47.602 1.00 0.00 H new ATOM 0 HG SER A 98 62.547 28.911 49.060 1.00 0.00 H new ATOM 1479 N SER A 99 65.625 31.444 49.399 1.00 0.00 N ATOM 1480 CA SER A 99 66.510 31.552 50.559 1.00 0.00 C ATOM 1481 C SER A 99 67.961 31.939 50.194 1.00 0.00 C ATOM 1482 O SER A 99 68.837 31.963 51.054 1.00 0.00 O ATOM 1483 CB SER A 99 66.387 30.266 51.368 1.00 0.00 C ATOM 1484 OG SER A 99 66.622 30.476 52.744 1.00 0.00 O ATOM 0 H SER A 99 65.956 30.761 48.718 1.00 0.00 H new ATOM 0 HA SER A 99 66.193 32.387 51.183 1.00 0.00 H new ATOM 0 HB2 SER A 99 65.390 29.847 51.231 1.00 0.00 H new ATOM 0 HB3 SER A 99 67.096 29.531 50.988 1.00 0.00 H new ATOM 0 HG SER A 99 66.532 29.627 53.225 1.00 0.00 H new ATOM 1490 N SER A 100 68.265 32.228 48.915 1.00 0.00 N ATOM 1491 CA SER A 100 69.607 32.647 48.488 1.00 0.00 C ATOM 1492 C SER A 100 69.932 34.099 48.839 1.00 0.00 C ATOM 1493 O SER A 100 71.103 34.429 49.026 1.00 0.00 O ATOM 1494 CB SER A 100 69.782 32.431 46.995 1.00 0.00 C ATOM 1495 OG SER A 100 71.150 32.500 46.641 1.00 0.00 O ATOM 0 H SER A 100 67.588 32.177 48.154 1.00 0.00 H new ATOM 0 HA SER A 100 70.308 32.022 49.042 1.00 0.00 H new ATOM 0 HB2 SER A 100 69.376 31.460 46.712 1.00 0.00 H new ATOM 0 HB3 SER A 100 69.219 33.185 46.444 1.00 0.00 H new ATOM 0 HG SER A 100 71.264 32.202 45.714 1.00 0.00 H new ATOM 1501 N LEU A 101 68.903 34.945 48.899 1.00 0.00 N ATOM 1502 CA LEU A 101 68.882 36.284 49.481 1.00 0.00 C ATOM 1503 C LEU A 101 67.439 36.674 49.861 1.00 0.00 C ATOM 1504 O LEU A 101 66.487 36.000 49.466 1.00 0.00 O ATOM 1505 CB LEU A 101 69.552 37.315 48.553 1.00 0.00 C ATOM 1506 CG LEU A 101 69.275 37.341 47.037 1.00 0.00 C ATOM 1507 CD1 LEU A 101 70.220 36.431 46.256 1.00 0.00 C ATOM 1508 CD2 LEU A 101 67.829 37.067 46.624 1.00 0.00 C ATOM 0 H LEU A 101 67.994 34.691 48.512 1.00 0.00 H new ATOM 0 HA LEU A 101 69.472 36.278 50.397 1.00 0.00 H new ATOM 0 HB2 LEU A 101 69.294 38.301 48.938 1.00 0.00 H new ATOM 0 HB3 LEU A 101 70.629 37.197 48.675 1.00 0.00 H new ATOM 0 HG LEU A 101 69.468 38.381 46.772 1.00 0.00 H new ATOM 0 HD11 LEU A 101 69.983 36.486 45.194 1.00 0.00 H new ATOM 0 HD12 LEU A 101 71.249 36.753 46.415 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.104 35.404 46.601 1.00 0.00 H new ATOM 0 HD21 LEU A 101 67.747 37.109 45.538 1.00 0.00 H new ATOM 0 HD22 LEU A 101 67.532 36.078 46.972 1.00 0.00 H new ATOM 0 HD23 LEU A 101 67.175 37.818 47.067 1.00 0.00 H new ATOM 1520 N LYS A 102 67.281 37.740 50.649 1.00 0.00 N ATOM 1521 CA LYS A 102 66.024 38.233 51.223 1.00 0.00 C ATOM 1522 C LYS A 102 65.572 39.540 50.559 1.00 0.00 C ATOM 1523 O LYS A 102 66.358 40.219 49.905 1.00 0.00 O ATOM 1524 CB LYS A 102 66.153 38.404 52.747 1.00 0.00 C ATOM 1525 CG LYS A 102 67.253 37.583 53.456 1.00 0.00 C ATOM 1526 CD LYS A 102 67.329 37.826 54.970 1.00 0.00 C ATOM 1527 CE LYS A 102 66.065 37.370 55.708 1.00 0.00 C ATOM 1528 NZ LYS A 102 66.270 37.380 57.174 1.00 0.00 N ATOM 0 H LYS A 102 68.076 38.319 50.921 1.00 0.00 H new ATOM 0 HA LYS A 102 65.255 37.486 51.025 1.00 0.00 H new ATOM 0 HB2 LYS A 102 66.331 39.459 52.955 1.00 0.00 H new ATOM 0 HB3 LYS A 102 65.195 38.147 53.199 1.00 0.00 H new ATOM 0 HG2 LYS A 102 67.075 36.523 53.276 1.00 0.00 H new ATOM 0 HG3 LYS A 102 68.218 37.824 53.010 1.00 0.00 H new ATOM 0 HD2 LYS A 102 68.192 37.298 55.376 1.00 0.00 H new ATOM 0 HD3 LYS A 102 67.490 38.888 55.156 1.00 0.00 H new ATOM 0 HE2 LYS A 102 65.233 38.025 55.450 1.00 0.00 H new ATOM 0 HE3 LYS A 102 65.793 36.366 55.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 65.399 37.067 57.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 67.049 36.736 57.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 66.506 38.344 57.485 1.00 0.00 H new ATOM 1542 N PHE A 103 64.318 39.926 50.783 1.00 0.00 N ATOM 1543 CA PHE A 103 63.690 41.153 50.326 1.00 0.00 C ATOM 1544 C PHE A 103 63.255 41.989 51.529 1.00 0.00 C ATOM 1545 O PHE A 103 62.641 41.475 52.462 1.00 0.00 O ATOM 1546 CB PHE A 103 62.488 40.775 49.463 1.00 0.00 C ATOM 1547 CG PHE A 103 61.772 41.952 48.825 1.00 0.00 C ATOM 1548 CD1 PHE A 103 62.425 42.745 47.863 1.00 0.00 C ATOM 1549 CD2 PHE A 103 60.447 42.259 49.193 1.00 0.00 C ATOM 1550 CE1 PHE A 103 61.762 43.833 47.269 1.00 0.00 C ATOM 1551 CE2 PHE A 103 59.778 43.338 48.588 1.00 0.00 C ATOM 1552 CZ PHE A 103 60.434 44.126 47.627 1.00 0.00 C ATOM 0 H PHE A 103 63.675 39.348 51.325 1.00 0.00 H new ATOM 0 HA PHE A 103 64.389 41.749 49.739 1.00 0.00 H new ATOM 0 HB2 PHE A 103 62.821 40.099 48.675 1.00 0.00 H new ATOM 0 HB3 PHE A 103 61.776 40.223 50.077 1.00 0.00 H new ATOM 0 HD1 PHE A 103 63.442 42.516 47.579 1.00 0.00 H new ATOM 0 HD2 PHE A 103 59.944 41.664 49.941 1.00 0.00 H new ATOM 0 HE1 PHE A 103 62.272 44.443 46.538 1.00 0.00 H new ATOM 0 HE2 PHE A 103 58.758 43.562 48.863 1.00 0.00 H new ATOM 0 HZ PHE A 103 59.919 44.955 47.164 1.00 0.00 H new ATOM 1562 N VAL A 104 63.580 43.274 51.501 1.00 0.00 N ATOM 1563 CA VAL A 104 63.230 44.304 52.483 1.00 0.00 C ATOM 1564 C VAL A 104 62.399 45.426 51.835 1.00 0.00 C ATOM 1565 O VAL A 104 62.939 46.280 51.126 1.00 0.00 O ATOM 1566 CB VAL A 104 64.486 44.798 53.230 1.00 0.00 C ATOM 1567 CG1 VAL A 104 65.577 45.470 52.385 1.00 0.00 C ATOM 1568 CG2 VAL A 104 64.093 45.749 54.366 1.00 0.00 C ATOM 0 H VAL A 104 64.136 43.657 50.737 1.00 0.00 H new ATOM 0 HA VAL A 104 62.585 43.869 53.246 1.00 0.00 H new ATOM 0 HB VAL A 104 64.936 43.875 53.597 1.00 0.00 H new ATOM 0 HG11 VAL A 104 66.403 45.770 53.030 1.00 0.00 H new ATOM 0 HG12 VAL A 104 65.939 44.768 51.634 1.00 0.00 H new ATOM 0 HG13 VAL A 104 65.164 46.350 51.891 1.00 0.00 H new ATOM 0 HG21 VAL A 104 64.990 46.089 54.883 1.00 0.00 H new ATOM 0 HG22 VAL A 104 63.564 46.609 53.954 1.00 0.00 H new ATOM 0 HG23 VAL A 104 63.444 45.227 55.070 1.00 0.00 H new ATOM 1578 N PRO A 105 61.069 45.450 52.032 1.00 0.00 N ATOM 1579 CA PRO A 105 60.224 46.495 51.465 1.00 0.00 C ATOM 1580 C PRO A 105 60.260 47.797 52.279 1.00 0.00 C ATOM 1581 O PRO A 105 60.621 47.810 53.462 1.00 0.00 O ATOM 1582 CB PRO A 105 58.820 45.888 51.408 1.00 0.00 C ATOM 1583 CG PRO A 105 58.813 44.952 52.616 1.00 0.00 C ATOM 1584 CD PRO A 105 60.248 44.430 52.673 1.00 0.00 C ATOM 0 HA PRO A 105 60.576 46.792 50.477 1.00 0.00 H new ATOM 0 HB2 PRO A 105 58.045 46.651 51.482 1.00 0.00 H new ATOM 0 HB3 PRO A 105 58.649 45.349 50.476 1.00 0.00 H new ATOM 0 HG2 PRO A 105 58.541 45.479 53.530 1.00 0.00 H new ATOM 0 HG3 PRO A 105 58.096 44.141 52.491 1.00 0.00 H new ATOM 0 HD2 PRO A 105 60.563 44.265 53.703 1.00 0.00 H new ATOM 0 HD3 PRO A 105 60.337 43.475 52.156 1.00 0.00 H new ATOM 1592 N LYS A 106 59.844 48.906 51.653 1.00 0.00 N ATOM 1593 CA LYS A 106 59.601 50.180 52.338 1.00 0.00 C ATOM 1594 C LYS A 106 58.421 50.112 53.330 1.00 0.00 C ATOM 1595 O LYS A 106 57.848 49.059 53.611 1.00 0.00 O ATOM 1596 CB LYS A 106 59.487 51.342 51.335 1.00 0.00 C ATOM 1597 CG LYS A 106 60.196 52.646 51.764 1.00 0.00 C ATOM 1598 CD LYS A 106 61.726 52.588 51.592 1.00 0.00 C ATOM 1599 CE LYS A 106 62.171 52.765 50.131 1.00 0.00 C ATOM 1600 NZ LYS A 106 62.332 54.193 49.765 1.00 0.00 N ATOM 0 H LYS A 106 59.666 48.943 50.649 1.00 0.00 H new ATOM 0 HA LYS A 106 60.475 50.385 52.956 1.00 0.00 H new ATOM 0 HB2 LYS A 106 59.900 51.019 50.379 1.00 0.00 H new ATOM 0 HB3 LYS A 106 58.431 51.557 51.170 1.00 0.00 H new ATOM 0 HG2 LYS A 106 59.802 53.476 51.178 1.00 0.00 H new ATOM 0 HG3 LYS A 106 59.962 52.853 52.808 1.00 0.00 H new ATOM 0 HD2 LYS A 106 62.185 53.365 52.203 1.00 0.00 H new ATOM 0 HD3 LYS A 106 62.092 51.632 51.965 1.00 0.00 H new ATOM 0 HE2 LYS A 106 63.115 52.243 49.974 1.00 0.00 H new ATOM 0 HE3 LYS A 106 61.437 52.303 49.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 62.633 54.265 48.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 61.426 54.687 49.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 63.051 54.629 50.377 1.00 0.00 H new