USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=30 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= -1.42 X(o=-0.52,f=-0.42!) USER MOD Set 1.2: A 100 SER OG : rot 152:sc= 0.904 USER MOD Set 2.1: A 39 HIS : no HD1:sc= 0.887 K(o=2.1,f=-3.8!) USER MOD Set 2.2: A 41 SER OG : rot -105:sc= 1.17 USER MOD Set 3.1: A 34 HIS : no HE2:sc= 0.575 K(o=4.2,f=-0.097!) USER MOD Set 3.2: A 37 TYR OH : rot 161:sc= 1.29 USER MOD Set 3.3: A 47 THR OG1 : rot 52:sc= 2.29 USER MOD Set 4.1: A 23 CYS SG : rot -161:sc= 2.15 USER MOD Set 4.2: A 26 CYS SG : rot 180:sc= -0.916 USER MOD Set 4.3: A 71 CYS SG : rot -148:sc= -1.82! USER MOD Set 4.4: A 74 CYS SG : rot -62:sc= -2.49! USER MOD Set 5.1: A 21 TYR OH : rot 30:sc= 0 USER MOD Set 5.2: A 51 HIS :FLIP no HD1:sc= -3.52! C(o=-5!,f=-3.5!) USER MOD Single : A 25 LYS NZ :NH3+ -123:sc= 0.729 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 100:sc= 0.499 USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.13) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 160:sc= -0.179 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.176 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.378 K(o=-0.38,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ -149:sc= 1.15 (180deg=-0.0996!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -0.35 X(o=-0.35,f=-0.15) USER MOD Single : A 84 ASN : amide:sc= -0.0202 X(o=-0.02,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= 1.17 USER MOD Single : A 95 CYS SG : rot 180:sc= 0.075 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -31:sc= 0.0654 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 58.165 49.644 46.362 1.00 0.00 N ATOM 262 CA PRO A 18 59.570 49.494 45.990 1.00 0.00 C ATOM 263 C PRO A 18 60.382 48.866 47.139 1.00 0.00 C ATOM 264 O PRO A 18 59.873 48.612 48.230 1.00 0.00 O ATOM 265 CB PRO A 18 60.023 50.907 45.606 1.00 0.00 C ATOM 266 CG PRO A 18 59.175 51.810 46.500 1.00 0.00 C ATOM 267 CD PRO A 18 57.863 51.039 46.655 1.00 0.00 C ATOM 0 HA PRO A 18 59.724 48.808 45.157 1.00 0.00 H new ATOM 0 HB2 PRO A 18 61.088 51.050 45.787 1.00 0.00 H new ATOM 0 HB3 PRO A 18 59.849 51.111 44.549 1.00 0.00 H new ATOM 0 HG2 PRO A 18 59.654 51.983 47.464 1.00 0.00 H new ATOM 0 HG3 PRO A 18 59.014 52.787 46.044 1.00 0.00 H new ATOM 0 HD2 PRO A 18 57.467 51.146 47.665 1.00 0.00 H new ATOM 0 HD3 PRO A 18 57.105 51.423 45.973 1.00 0.00 H new ATOM 275 N GLY A 19 61.669 48.603 46.924 1.00 0.00 N ATOM 276 CA GLY A 19 62.514 47.972 47.938 1.00 0.00 C ATOM 277 C GLY A 19 63.912 47.617 47.431 1.00 0.00 C ATOM 278 O GLY A 19 64.300 48.013 46.328 1.00 0.00 O ATOM 0 H GLY A 19 62.153 48.818 46.052 1.00 0.00 H new ATOM 0 HA2 GLY A 19 62.605 48.643 48.792 1.00 0.00 H new ATOM 0 HA3 GLY A 19 62.025 47.066 48.295 1.00 0.00 H new ATOM 282 N VAL A 20 64.677 46.888 48.243 1.00 0.00 N ATOM 283 CA VAL A 20 66.082 46.527 47.979 1.00 0.00 C ATOM 284 C VAL A 20 66.338 45.044 48.284 1.00 0.00 C ATOM 285 O VAL A 20 65.597 44.422 49.034 1.00 0.00 O ATOM 286 CB VAL A 20 67.043 47.400 48.808 1.00 0.00 C ATOM 287 CG1 VAL A 20 68.435 47.514 48.170 1.00 0.00 C ATOM 288 CG2 VAL A 20 66.564 48.838 49.065 1.00 0.00 C ATOM 0 H VAL A 20 64.333 46.519 49.129 1.00 0.00 H new ATOM 0 HA VAL A 20 66.270 46.705 46.920 1.00 0.00 H new ATOM 0 HB VAL A 20 67.078 46.865 49.757 1.00 0.00 H new ATOM 0 HG11 VAL A 20 69.072 48.140 48.795 1.00 0.00 H new ATOM 0 HG12 VAL A 20 68.877 46.522 48.081 1.00 0.00 H new ATOM 0 HG13 VAL A 20 68.346 47.962 47.180 1.00 0.00 H new ATOM 0 HG21 VAL A 20 67.310 49.370 49.656 1.00 0.00 H new ATOM 0 HG22 VAL A 20 66.423 49.350 48.113 1.00 0.00 H new ATOM 0 HG23 VAL A 20 65.619 48.815 49.608 1.00 0.00 H new ATOM 298 N TYR A 21 67.415 44.476 47.750 1.00 0.00 N ATOM 299 CA TYR A 21 67.931 43.143 48.102 1.00 0.00 C ATOM 300 C TYR A 21 68.971 43.281 49.218 1.00 0.00 C ATOM 301 O TYR A 21 69.711 44.265 49.266 1.00 0.00 O ATOM 302 CB TYR A 21 68.446 42.430 46.819 1.00 0.00 C ATOM 303 CG TYR A 21 69.719 41.573 46.841 1.00 0.00 C ATOM 304 CD1 TYR A 21 69.897 40.524 47.759 1.00 0.00 C ATOM 305 CD2 TYR A 21 70.730 41.799 45.881 1.00 0.00 C ATOM 306 CE1 TYR A 21 71.104 39.792 47.785 1.00 0.00 C ATOM 307 CE2 TYR A 21 71.925 41.055 45.882 1.00 0.00 C ATOM 308 CZ TYR A 21 72.128 40.062 46.856 1.00 0.00 C ATOM 309 OH TYR A 21 73.302 39.374 46.893 1.00 0.00 O ATOM 0 H TYR A 21 67.976 44.940 47.036 1.00 0.00 H new ATOM 0 HA TYR A 21 67.145 42.503 48.502 1.00 0.00 H new ATOM 0 HB2 TYR A 21 67.638 41.790 46.465 1.00 0.00 H new ATOM 0 HB3 TYR A 21 68.595 43.202 46.064 1.00 0.00 H new ATOM 0 HD1 TYR A 21 69.105 40.276 48.450 1.00 0.00 H new ATOM 0 HD2 TYR A 21 70.583 42.560 45.129 1.00 0.00 H new ATOM 0 HE1 TYR A 21 71.244 39.017 48.524 1.00 0.00 H new ATOM 0 HE2 TYR A 21 72.683 41.246 45.137 1.00 0.00 H new ATOM 0 HH TYR A 21 73.142 38.473 47.244 1.00 0.00 H new ATOM 319 N VAL A 22 69.019 42.298 50.116 1.00 0.00 N ATOM 320 CA VAL A 22 70.167 42.088 51.013 1.00 0.00 C ATOM 321 C VAL A 22 70.601 40.625 51.018 1.00 0.00 C ATOM 322 O VAL A 22 69.786 39.713 50.826 1.00 0.00 O ATOM 323 CB VAL A 22 69.962 42.594 52.457 1.00 0.00 C ATOM 324 CG1 VAL A 22 69.186 43.918 52.535 1.00 0.00 C ATOM 325 CG2 VAL A 22 69.214 41.622 53.380 1.00 0.00 C ATOM 0 H VAL A 22 68.266 41.622 50.246 1.00 0.00 H new ATOM 0 HA VAL A 22 70.962 42.706 50.596 1.00 0.00 H new ATOM 0 HB VAL A 22 70.991 42.713 52.796 1.00 0.00 H new ATOM 0 HG11 VAL A 22 69.078 44.216 53.578 1.00 0.00 H new ATOM 0 HG12 VAL A 22 69.730 44.691 51.992 1.00 0.00 H new ATOM 0 HG13 VAL A 22 68.199 43.788 52.091 1.00 0.00 H new ATOM 0 HG21 VAL A 22 69.118 42.063 54.372 1.00 0.00 H new ATOM 0 HG22 VAL A 22 68.222 41.424 52.973 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.770 40.687 53.451 1.00 0.00 H new ATOM 335 N CYS A 23 71.888 40.402 51.283 1.00 0.00 N ATOM 336 CA CYS A 23 72.446 39.051 51.288 1.00 0.00 C ATOM 337 C CYS A 23 71.839 38.164 52.403 1.00 0.00 C ATOM 338 O CYS A 23 71.531 38.624 53.502 1.00 0.00 O ATOM 339 CB CYS A 23 73.982 39.124 51.252 1.00 0.00 C ATOM 340 SG CYS A 23 74.658 37.449 51.111 1.00 0.00 S ATOM 0 H CYS A 23 72.562 41.137 51.496 1.00 0.00 H new ATOM 0 HA CYS A 23 72.151 38.528 50.379 1.00 0.00 H new ATOM 0 HB2 CYS A 23 74.309 39.733 50.409 1.00 0.00 H new ATOM 0 HB3 CYS A 23 74.356 39.605 52.156 1.00 0.00 H new ATOM 0 HG CYS A 23 75.905 37.452 51.479 1.00 0.00 H new ATOM 345 N ALA A 24 71.695 36.869 52.113 1.00 0.00 N ATOM 346 CA ALA A 24 71.230 35.887 53.094 1.00 0.00 C ATOM 347 C ALA A 24 72.218 35.704 54.269 1.00 0.00 C ATOM 348 O ALA A 24 71.795 35.398 55.385 1.00 0.00 O ATOM 349 CB ALA A 24 70.975 34.534 52.422 1.00 0.00 C ATOM 0 H ALA A 24 71.897 36.473 51.195 1.00 0.00 H new ATOM 0 HA ALA A 24 70.299 36.277 53.505 1.00 0.00 H new ATOM 0 HB1 ALA A 24 70.630 33.817 53.167 1.00 0.00 H new ATOM 0 HB2 ALA A 24 70.215 34.649 51.650 1.00 0.00 H new ATOM 0 HB3 ALA A 24 71.899 34.172 51.971 1.00 0.00 H new ATOM 355 N LYS A 25 73.521 35.887 54.006 1.00 0.00 N ATOM 356 CA LYS A 25 74.622 35.718 54.966 1.00 0.00 C ATOM 357 C LYS A 25 75.342 37.015 55.313 1.00 0.00 C ATOM 358 O LYS A 25 75.656 37.253 56.474 1.00 0.00 O ATOM 359 CB LYS A 25 75.610 34.670 54.441 1.00 0.00 C ATOM 360 CG LYS A 25 75.374 33.296 55.088 1.00 0.00 C ATOM 361 CD LYS A 25 76.550 32.386 54.773 1.00 0.00 C ATOM 362 CE LYS A 25 76.464 31.034 55.487 1.00 0.00 C ATOM 363 NZ LYS A 25 77.557 30.123 55.068 1.00 0.00 N ATOM 0 H LYS A 25 73.849 36.168 53.082 1.00 0.00 H new ATOM 0 HA LYS A 25 74.174 35.375 55.899 1.00 0.00 H new ATOM 0 HB2 LYS A 25 75.510 34.585 53.359 1.00 0.00 H new ATOM 0 HB3 LYS A 25 76.630 34.997 54.643 1.00 0.00 H new ATOM 0 HG2 LYS A 25 75.261 33.403 56.167 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.449 32.858 54.713 1.00 0.00 H new ATOM 0 HD2 LYS A 25 76.597 32.221 53.697 1.00 0.00 H new ATOM 0 HD3 LYS A 25 77.476 32.885 55.060 1.00 0.00 H new ATOM 0 HE2 LYS A 25 76.511 31.188 56.565 1.00 0.00 H new ATOM 0 HE3 LYS A 25 75.501 30.570 55.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 77.150 29.243 54.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 78.129 30.583 54.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 78.159 29.903 55.887 1.00 0.00 H new ATOM 377 N CYS A 26 75.631 37.835 54.312 1.00 0.00 N ATOM 378 CA CYS A 26 76.386 39.068 54.449 1.00 0.00 C ATOM 379 C CYS A 26 75.483 40.250 54.857 1.00 0.00 C ATOM 380 O CYS A 26 75.974 41.243 55.388 1.00 0.00 O ATOM 381 CB CYS A 26 77.148 39.309 53.136 1.00 0.00 C ATOM 382 SG CYS A 26 77.794 37.810 52.358 1.00 0.00 S ATOM 0 H CYS A 26 75.336 37.653 53.353 1.00 0.00 H new ATOM 0 HA CYS A 26 77.109 38.980 55.260 1.00 0.00 H new ATOM 0 HB2 CYS A 26 76.484 39.811 52.432 1.00 0.00 H new ATOM 0 HB3 CYS A 26 77.978 39.988 53.332 1.00 0.00 H new ATOM 0 HG CYS A 26 78.415 38.124 51.260 1.00 0.00 H new ATOM 387 N SER A 27 74.187 40.137 54.530 1.00 0.00 N ATOM 388 CA SER A 27 73.122 41.116 54.777 1.00 0.00 C ATOM 389 C SER A 27 73.455 42.534 54.310 1.00 0.00 C ATOM 390 O SER A 27 72.845 43.503 54.761 1.00 0.00 O ATOM 391 CB SER A 27 72.585 41.028 56.210 1.00 0.00 C ATOM 392 OG SER A 27 73.554 41.418 57.157 1.00 0.00 O ATOM 0 H SER A 27 73.834 39.306 54.056 1.00 0.00 H new ATOM 0 HA SER A 27 72.291 40.832 54.131 1.00 0.00 H new ATOM 0 HB2 SER A 27 71.705 41.663 56.308 1.00 0.00 H new ATOM 0 HB3 SER A 27 72.265 40.007 56.416 1.00 0.00 H new ATOM 0 HG SER A 27 73.176 41.351 58.059 1.00 0.00 H new ATOM 398 N TYR A 28 74.393 42.666 53.368 1.00 0.00 N ATOM 399 CA TYR A 28 74.757 43.932 52.748 1.00 0.00 C ATOM 400 C TYR A 28 73.738 44.351 51.677 1.00 0.00 C ATOM 401 O TYR A 28 73.252 43.502 50.927 1.00 0.00 O ATOM 402 CB TYR A 28 76.197 43.910 52.249 1.00 0.00 C ATOM 403 CG TYR A 28 76.701 45.272 51.799 1.00 0.00 C ATOM 404 CD1 TYR A 28 76.653 46.365 52.687 1.00 0.00 C ATOM 405 CD2 TYR A 28 77.196 45.455 50.492 1.00 0.00 C ATOM 406 CE1 TYR A 28 77.061 47.641 52.263 1.00 0.00 C ATOM 407 CE2 TYR A 28 77.624 46.729 50.068 1.00 0.00 C ATOM 408 CZ TYR A 28 77.539 47.828 50.949 1.00 0.00 C ATOM 409 OH TYR A 28 77.919 49.065 50.539 1.00 0.00 O ATOM 0 H TYR A 28 74.929 41.875 53.011 1.00 0.00 H new ATOM 0 HA TYR A 28 74.717 44.710 53.510 1.00 0.00 H new ATOM 0 HB2 TYR A 28 76.843 43.536 53.043 1.00 0.00 H new ATOM 0 HB3 TYR A 28 76.275 43.209 51.418 1.00 0.00 H new ATOM 0 HD1 TYR A 28 76.301 46.221 53.698 1.00 0.00 H new ATOM 0 HD2 TYR A 28 77.247 44.616 49.813 1.00 0.00 H new ATOM 0 HE1 TYR A 28 77.009 48.478 52.943 1.00 0.00 H new ATOM 0 HE2 TYR A 28 78.016 46.864 49.071 1.00 0.00 H new ATOM 0 HH TYR A 28 78.224 49.022 49.609 1.00 0.00 H new ATOM 419 N GLU A 29 73.375 45.637 51.647 1.00 0.00 N ATOM 420 CA GLU A 29 72.071 46.063 51.123 1.00 0.00 C ATOM 421 C GLU A 29 72.151 46.780 49.756 1.00 0.00 C ATOM 422 O GLU A 29 72.504 47.962 49.681 1.00 0.00 O ATOM 423 CB GLU A 29 71.374 46.968 52.173 1.00 0.00 C ATOM 424 CG GLU A 29 71.420 46.486 53.639 1.00 0.00 C ATOM 425 CD GLU A 29 72.579 47.114 54.440 1.00 0.00 C ATOM 426 OE1 GLU A 29 73.746 46.700 54.287 1.00 0.00 O ATOM 427 OE2 GLU A 29 72.349 48.049 55.246 1.00 0.00 O ATOM 0 H GLU A 29 73.964 46.401 51.979 1.00 0.00 H new ATOM 0 HA GLU A 29 71.486 45.160 50.945 1.00 0.00 H new ATOM 0 HB2 GLU A 29 71.828 47.958 52.125 1.00 0.00 H new ATOM 0 HB3 GLU A 29 70.329 47.083 51.884 1.00 0.00 H new ATOM 0 HG2 GLU A 29 70.475 46.728 54.126 1.00 0.00 H new ATOM 0 HG3 GLU A 29 71.519 45.401 53.657 1.00 0.00 H new ATOM 434 N LEU A 30 71.794 46.104 48.656 1.00 0.00 N ATOM 435 CA LEU A 30 71.979 46.567 47.282 1.00 0.00 C ATOM 436 C LEU A 30 71.007 45.899 46.280 1.00 0.00 C ATOM 437 O LEU A 30 70.709 44.717 46.325 1.00 0.00 O ATOM 438 CB LEU A 30 73.465 46.439 46.867 1.00 0.00 C ATOM 439 CG LEU A 30 74.230 45.176 47.322 1.00 0.00 C ATOM 440 CD1 LEU A 30 73.568 43.885 46.856 1.00 0.00 C ATOM 441 CD2 LEU A 30 75.650 45.203 46.754 1.00 0.00 C ATOM 0 H LEU A 30 71.352 45.186 48.705 1.00 0.00 H new ATOM 0 HA LEU A 30 71.718 47.625 47.251 1.00 0.00 H new ATOM 0 HB2 LEU A 30 73.515 46.488 45.779 1.00 0.00 H new ATOM 0 HB3 LEU A 30 73.997 47.310 47.250 1.00 0.00 H new ATOM 0 HG LEU A 30 74.231 45.190 48.412 1.00 0.00 H new ATOM 0 HD11 LEU A 30 74.149 43.032 47.205 1.00 0.00 H new ATOM 0 HD12 LEU A 30 72.558 43.827 47.262 1.00 0.00 H new ATOM 0 HD13 LEU A 30 73.522 43.872 45.767 1.00 0.00 H new ATOM 0 HD21 LEU A 30 76.188 44.311 47.076 1.00 0.00 H new ATOM 0 HD22 LEU A 30 75.606 45.227 45.665 1.00 0.00 H new ATOM 0 HD23 LEU A 30 76.170 46.090 47.115 1.00 0.00 H new ATOM 453 N PHE A 31 70.491 46.703 45.359 1.00 0.00 N ATOM 454 CA PHE A 31 69.755 46.353 44.123 1.00 0.00 C ATOM 455 C PHE A 31 69.593 47.559 43.163 1.00 0.00 C ATOM 456 O PHE A 31 69.949 48.684 43.525 1.00 0.00 O ATOM 457 CB PHE A 31 68.360 45.786 44.456 1.00 0.00 C ATOM 458 CG PHE A 31 67.818 44.874 43.365 1.00 0.00 C ATOM 459 CD1 PHE A 31 68.532 43.715 43.006 1.00 0.00 C ATOM 460 CD2 PHE A 31 66.647 45.209 42.658 1.00 0.00 C ATOM 461 CE1 PHE A 31 68.092 42.906 41.944 1.00 0.00 C ATOM 462 CE2 PHE A 31 66.207 44.400 41.594 1.00 0.00 C ATOM 463 CZ PHE A 31 66.933 43.250 41.233 1.00 0.00 C ATOM 0 H PHE A 31 70.579 47.715 45.456 1.00 0.00 H new ATOM 0 HA PHE A 31 70.354 45.596 43.618 1.00 0.00 H new ATOM 0 HB2 PHE A 31 68.412 45.232 45.393 1.00 0.00 H new ATOM 0 HB3 PHE A 31 67.665 46.611 44.612 1.00 0.00 H new ATOM 0 HD1 PHE A 31 69.425 43.445 43.551 1.00 0.00 H new ATOM 0 HD2 PHE A 31 66.085 46.089 42.933 1.00 0.00 H new ATOM 0 HE1 PHE A 31 68.647 42.019 41.675 1.00 0.00 H new ATOM 0 HE2 PHE A 31 65.310 44.662 41.053 1.00 0.00 H new ATOM 0 HZ PHE A 31 66.599 42.634 40.411 1.00 0.00 H new ATOM 473 N SER A 32 69.021 47.333 41.968 1.00 0.00 N ATOM 474 CA SER A 32 68.703 48.360 40.959 1.00 0.00 C ATOM 475 C SER A 32 67.248 48.333 40.479 1.00 0.00 C ATOM 476 O SER A 32 66.640 47.279 40.290 1.00 0.00 O ATOM 477 CB SER A 32 69.674 48.265 39.784 1.00 0.00 C ATOM 478 OG SER A 32 69.424 49.263 38.819 1.00 0.00 O ATOM 0 H SER A 32 68.757 46.395 41.666 1.00 0.00 H new ATOM 0 HA SER A 32 68.825 49.324 41.453 1.00 0.00 H new ATOM 0 HB2 SER A 32 70.697 48.359 40.149 1.00 0.00 H new ATOM 0 HB3 SER A 32 69.590 47.282 39.321 1.00 0.00 H new ATOM 0 HG SER A 32 70.064 49.174 38.083 1.00 0.00 H new ATOM 484 N SER A 33 66.702 49.524 40.240 1.00 0.00 N ATOM 485 CA SER A 33 65.302 49.771 39.862 1.00 0.00 C ATOM 486 C SER A 33 64.988 49.472 38.386 1.00 0.00 C ATOM 487 O SER A 33 63.856 49.660 37.937 1.00 0.00 O ATOM 488 CB SER A 33 64.918 51.212 40.225 1.00 0.00 C ATOM 489 OG SER A 33 65.292 51.465 41.568 1.00 0.00 O ATOM 0 H SER A 33 67.244 50.386 40.306 1.00 0.00 H new ATOM 0 HA SER A 33 64.695 49.067 40.431 1.00 0.00 H new ATOM 0 HB2 SER A 33 65.417 51.914 39.557 1.00 0.00 H new ATOM 0 HB3 SER A 33 63.845 51.359 40.099 1.00 0.00 H new ATOM 0 HG SER A 33 65.051 52.384 41.807 1.00 0.00 H new ATOM 495 N HIS A 34 65.981 48.997 37.628 1.00 0.00 N ATOM 496 CA HIS A 34 65.823 48.507 36.254 1.00 0.00 C ATOM 497 C HIS A 34 65.616 46.991 36.180 1.00 0.00 C ATOM 498 O HIS A 34 64.920 46.493 35.300 1.00 0.00 O ATOM 499 CB HIS A 34 67.048 48.962 35.433 1.00 0.00 C ATOM 500 CG HIS A 34 66.996 48.713 33.937 1.00 0.00 C ATOM 501 ND1 HIS A 34 66.342 47.700 33.270 1.00 0.00 N ATOM 502 CD2 HIS A 34 67.661 49.438 32.983 1.00 0.00 C ATOM 503 CE1 HIS A 34 66.593 47.816 31.959 1.00 0.00 C ATOM 504 NE2 HIS A 34 67.404 48.861 31.733 1.00 0.00 N ATOM 0 H HIS A 34 66.943 48.941 37.962 1.00 0.00 H new ATOM 0 HA HIS A 34 64.914 48.935 35.832 1.00 0.00 H new ATOM 0 HB2 HIS A 34 67.189 50.031 35.595 1.00 0.00 H new ATOM 0 HB3 HIS A 34 67.930 48.460 35.831 1.00 0.00 H new ATOM 0 HD1 HIS A 34 65.763 46.981 33.703 1.00 0.00 H new ATOM 0 HD2 HIS A 34 68.278 50.306 33.164 1.00 0.00 H new ATOM 0 HE1 HIS A 34 66.199 47.163 31.194 1.00 0.00 H new ATOM 512 N SER A 35 66.215 46.239 37.096 1.00 0.00 N ATOM 513 CA SER A 35 66.646 44.875 36.817 1.00 0.00 C ATOM 514 C SER A 35 65.503 43.868 36.853 1.00 0.00 C ATOM 515 O SER A 35 65.528 42.847 36.169 1.00 0.00 O ATOM 516 CB SER A 35 67.814 44.461 37.719 1.00 0.00 C ATOM 517 OG SER A 35 68.064 45.331 38.815 1.00 0.00 O ATOM 0 H SER A 35 66.414 46.554 38.045 1.00 0.00 H new ATOM 0 HA SER A 35 67.009 44.869 35.789 1.00 0.00 H new ATOM 0 HB2 SER A 35 67.618 43.461 38.106 1.00 0.00 H new ATOM 0 HB3 SER A 35 68.717 44.397 37.112 1.00 0.00 H new ATOM 0 HG SER A 35 67.676 44.950 39.630 1.00 0.00 H new ATOM 523 N LYS A 36 64.491 44.175 37.670 1.00 0.00 N ATOM 524 CA LYS A 36 63.352 43.277 37.959 1.00 0.00 C ATOM 525 C LYS A 36 62.006 44.003 37.826 1.00 0.00 C ATOM 526 O LYS A 36 61.626 44.779 38.698 1.00 0.00 O ATOM 527 CB LYS A 36 63.567 42.649 39.353 1.00 0.00 C ATOM 528 CG LYS A 36 62.789 41.351 39.645 1.00 0.00 C ATOM 529 CD LYS A 36 61.258 41.453 39.732 1.00 0.00 C ATOM 530 CE LYS A 36 60.782 42.483 40.768 1.00 0.00 C ATOM 531 NZ LYS A 36 59.307 42.626 40.747 1.00 0.00 N ATOM 0 H LYS A 36 64.433 45.067 38.161 1.00 0.00 H new ATOM 0 HA LYS A 36 63.313 42.476 37.221 1.00 0.00 H new ATOM 0 HB2 LYS A 36 64.631 42.445 39.476 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.295 43.388 40.107 1.00 0.00 H new ATOM 0 HG2 LYS A 36 63.036 40.628 38.868 1.00 0.00 H new ATOM 0 HG3 LYS A 36 63.154 40.943 40.588 1.00 0.00 H new ATOM 0 HD2 LYS A 36 60.861 41.721 38.753 1.00 0.00 H new ATOM 0 HD3 LYS A 36 60.848 40.475 39.985 1.00 0.00 H new ATOM 0 HE2 LYS A 36 61.106 42.177 41.763 1.00 0.00 H new ATOM 0 HE3 LYS A 36 61.246 43.448 40.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 59.033 43.480 41.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 58.980 42.706 39.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 58.871 41.792 41.190 1.00 0.00 H new ATOM 545 N TYR A 37 61.258 43.686 36.772 1.00 0.00 N ATOM 546 CA TYR A 37 60.024 44.341 36.348 1.00 0.00 C ATOM 547 C TYR A 37 58.802 43.988 37.210 1.00 0.00 C ATOM 548 O TYR A 37 58.820 43.084 38.052 1.00 0.00 O ATOM 549 CB TYR A 37 59.793 44.004 34.864 1.00 0.00 C ATOM 550 CG TYR A 37 61.026 44.223 34.006 1.00 0.00 C ATOM 551 CD1 TYR A 37 61.325 45.511 33.519 1.00 0.00 C ATOM 552 CD2 TYR A 37 61.927 43.160 33.787 1.00 0.00 C ATOM 553 CE1 TYR A 37 62.537 45.745 32.840 1.00 0.00 C ATOM 554 CE2 TYR A 37 63.150 43.399 33.139 1.00 0.00 C ATOM 555 CZ TYR A 37 63.464 44.695 32.676 1.00 0.00 C ATOM 556 OH TYR A 37 64.651 44.926 32.060 1.00 0.00 O ATOM 0 H TYR A 37 61.514 42.917 36.153 1.00 0.00 H new ATOM 0 HA TYR A 37 60.144 45.416 36.483 1.00 0.00 H new ATOM 0 HB2 TYR A 37 59.478 42.964 34.778 1.00 0.00 H new ATOM 0 HB3 TYR A 37 58.977 44.617 34.481 1.00 0.00 H new ATOM 0 HD1 TYR A 37 60.624 46.320 33.666 1.00 0.00 H new ATOM 0 HD2 TYR A 37 61.677 42.163 34.117 1.00 0.00 H new ATOM 0 HE1 TYR A 37 62.756 46.726 32.446 1.00 0.00 H new ATOM 0 HE2 TYR A 37 63.851 42.590 32.995 1.00 0.00 H new ATOM 0 HH TYR A 37 65.284 44.215 32.293 1.00 0.00 H new ATOM 566 N ALA A 38 57.726 44.729 36.992 1.00 0.00 N ATOM 567 CA ALA A 38 56.441 44.604 37.683 1.00 0.00 C ATOM 568 C ALA A 38 55.387 43.877 36.823 1.00 0.00 C ATOM 569 O ALA A 38 54.869 44.431 35.855 1.00 0.00 O ATOM 570 CB ALA A 38 55.981 46.004 38.114 1.00 0.00 C ATOM 0 H ALA A 38 57.720 45.473 36.294 1.00 0.00 H new ATOM 0 HA ALA A 38 56.566 43.982 38.569 1.00 0.00 H new ATOM 0 HB1 ALA A 38 55.024 45.930 38.631 1.00 0.00 H new ATOM 0 HB2 ALA A 38 56.722 46.440 38.784 1.00 0.00 H new ATOM 0 HB3 ALA A 38 55.870 46.637 37.234 1.00 0.00 H new ATOM 576 N HIS A 39 55.056 42.638 37.197 1.00 0.00 N ATOM 577 CA HIS A 39 53.939 41.839 36.686 1.00 0.00 C ATOM 578 C HIS A 39 53.575 40.750 37.714 1.00 0.00 C ATOM 579 O HIS A 39 54.466 40.295 38.436 1.00 0.00 O ATOM 580 CB HIS A 39 54.331 41.183 35.352 1.00 0.00 C ATOM 581 CG HIS A 39 53.154 40.550 34.659 1.00 0.00 C ATOM 582 ND1 HIS A 39 52.904 39.207 34.480 1.00 0.00 N ATOM 583 CD2 HIS A 39 52.096 41.230 34.124 1.00 0.00 C ATOM 584 CE1 HIS A 39 51.729 39.085 33.844 1.00 0.00 C ATOM 585 NE2 HIS A 39 51.192 40.295 33.610 1.00 0.00 N ATOM 0 H HIS A 39 55.592 42.137 37.906 1.00 0.00 H new ATOM 0 HA HIS A 39 53.078 42.487 36.523 1.00 0.00 H new ATOM 0 HB2 HIS A 39 54.775 41.933 34.697 1.00 0.00 H new ATOM 0 HB3 HIS A 39 55.094 40.426 35.532 1.00 0.00 H new ATOM 0 HD2 HIS A 39 51.978 42.303 34.102 1.00 0.00 H new ATOM 0 HE1 HIS A 39 51.278 38.146 33.560 1.00 0.00 H new ATOM 0 HE2 HIS A 39 50.303 40.492 33.150 1.00 0.00 H new ATOM 593 N SER A 40 52.316 40.301 37.769 1.00 0.00 N ATOM 594 CA SER A 40 51.896 39.138 38.547 1.00 0.00 C ATOM 595 C SER A 40 51.584 37.938 37.649 1.00 0.00 C ATOM 596 O SER A 40 50.545 37.873 36.993 1.00 0.00 O ATOM 597 CB SER A 40 50.753 39.477 39.485 1.00 0.00 C ATOM 598 OG SER A 40 50.673 38.497 40.501 1.00 0.00 O ATOM 0 H SER A 40 51.550 40.746 37.264 1.00 0.00 H new ATOM 0 HA SER A 40 52.736 38.842 39.175 1.00 0.00 H new ATOM 0 HB2 SER A 40 50.909 40.462 39.926 1.00 0.00 H new ATOM 0 HB3 SER A 40 49.815 39.521 38.932 1.00 0.00 H new ATOM 0 HG SER A 40 49.936 38.715 41.109 1.00 0.00 H new ATOM 604 N SER A 41 52.525 36.995 37.610 1.00 0.00 N ATOM 605 CA SER A 41 52.447 35.715 36.893 1.00 0.00 C ATOM 606 C SER A 41 53.485 34.731 37.455 1.00 0.00 C ATOM 607 O SER A 41 54.492 35.181 38.013 1.00 0.00 O ATOM 608 CB SER A 41 52.711 35.925 35.394 1.00 0.00 C ATOM 609 OG SER A 41 53.956 36.571 35.159 1.00 0.00 O ATOM 0 H SER A 41 53.411 37.106 38.103 1.00 0.00 H new ATOM 0 HA SER A 41 51.446 35.306 37.029 1.00 0.00 H new ATOM 0 HB2 SER A 41 52.701 34.961 34.885 1.00 0.00 H new ATOM 0 HB3 SER A 41 51.906 36.521 34.964 1.00 0.00 H new ATOM 0 HG SER A 41 53.798 37.505 34.907 1.00 0.00 H new ATOM 615 N PRO A 42 53.316 33.407 37.281 1.00 0.00 N ATOM 616 CA PRO A 42 54.374 32.445 37.578 1.00 0.00 C ATOM 617 C PRO A 42 55.594 32.638 36.659 1.00 0.00 C ATOM 618 O PRO A 42 55.512 33.250 35.594 1.00 0.00 O ATOM 619 CB PRO A 42 53.730 31.065 37.407 1.00 0.00 C ATOM 620 CG PRO A 42 52.653 31.316 36.355 1.00 0.00 C ATOM 621 CD PRO A 42 52.171 32.728 36.692 1.00 0.00 C ATOM 0 HA PRO A 42 54.764 32.574 38.588 1.00 0.00 H new ATOM 0 HB2 PRO A 42 54.453 30.321 37.074 1.00 0.00 H new ATOM 0 HB3 PRO A 42 53.304 30.700 38.342 1.00 0.00 H new ATOM 0 HG2 PRO A 42 53.054 31.257 35.343 1.00 0.00 H new ATOM 0 HG3 PRO A 42 51.846 30.587 36.421 1.00 0.00 H new ATOM 0 HD2 PRO A 42 51.826 33.247 35.798 1.00 0.00 H new ATOM 0 HD3 PRO A 42 51.333 32.699 37.388 1.00 0.00 H new ATOM 629 N TRP A 43 56.735 32.094 37.092 1.00 0.00 N ATOM 630 CA TRP A 43 58.000 32.021 36.343 1.00 0.00 C ATOM 631 C TRP A 43 58.492 33.325 35.655 1.00 0.00 C ATOM 632 O TRP A 43 58.846 33.293 34.469 1.00 0.00 O ATOM 633 CB TRP A 43 57.939 30.797 35.413 1.00 0.00 C ATOM 634 CG TRP A 43 57.448 29.534 36.067 1.00 0.00 C ATOM 635 CD1 TRP A 43 56.426 28.765 35.623 1.00 0.00 C ATOM 636 CD2 TRP A 43 57.913 28.893 37.298 1.00 0.00 C ATOM 637 NE1 TRP A 43 56.231 27.702 36.482 1.00 0.00 N ATOM 638 CE2 TRP A 43 57.129 27.721 37.524 1.00 0.00 C ATOM 639 CE3 TRP A 43 58.932 29.169 38.240 1.00 0.00 C ATOM 640 CZ2 TRP A 43 57.346 26.866 38.612 1.00 0.00 C ATOM 641 CZ3 TRP A 43 59.158 28.315 39.338 1.00 0.00 C ATOM 642 CH2 TRP A 43 58.371 27.164 39.524 1.00 0.00 C ATOM 0 H TRP A 43 56.809 31.672 38.018 1.00 0.00 H new ATOM 0 HA TRP A 43 58.795 31.894 37.078 1.00 0.00 H new ATOM 0 HB2 TRP A 43 57.288 31.030 34.570 1.00 0.00 H new ATOM 0 HB3 TRP A 43 58.934 30.616 35.007 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.849 28.955 34.730 1.00 0.00 H new ATOM 0 HE1 TRP A 43 55.510 26.991 36.359 1.00 0.00 H new ATOM 0 HE3 TRP A 43 59.547 30.048 38.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.732 25.988 38.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 59.943 28.546 40.043 1.00 0.00 H new ATOM 0 HH2 TRP A 43 58.555 26.512 40.365 1.00 0.00 H new ATOM 653 N PRO A 44 58.596 34.460 36.383 1.00 0.00 N ATOM 654 CA PRO A 44 59.267 35.678 35.913 1.00 0.00 C ATOM 655 C PRO A 44 60.806 35.541 35.945 1.00 0.00 C ATOM 656 O PRO A 44 61.345 34.471 36.241 1.00 0.00 O ATOM 657 CB PRO A 44 58.756 36.772 36.860 1.00 0.00 C ATOM 658 CG PRO A 44 58.661 36.032 38.191 1.00 0.00 C ATOM 659 CD PRO A 44 58.156 34.656 37.763 1.00 0.00 C ATOM 0 HA PRO A 44 59.043 35.902 34.870 1.00 0.00 H new ATOM 0 HB2 PRO A 44 59.442 37.617 36.913 1.00 0.00 H new ATOM 0 HB3 PRO A 44 57.790 37.165 36.543 1.00 0.00 H new ATOM 0 HG2 PRO A 44 59.627 35.973 38.693 1.00 0.00 H new ATOM 0 HG3 PRO A 44 57.973 36.521 38.880 1.00 0.00 H new ATOM 0 HD2 PRO A 44 58.557 33.877 38.412 1.00 0.00 H new ATOM 0 HD3 PRO A 44 57.070 34.603 37.835 1.00 0.00 H new ATOM 667 N ALA A 45 61.526 36.625 35.642 1.00 0.00 N ATOM 668 CA ALA A 45 62.985 36.734 35.748 1.00 0.00 C ATOM 669 C ALA A 45 63.418 38.184 36.058 1.00 0.00 C ATOM 670 O ALA A 45 62.616 39.115 35.952 1.00 0.00 O ATOM 671 CB ALA A 45 63.606 36.248 34.428 1.00 0.00 C ATOM 0 H ALA A 45 61.093 37.484 35.303 1.00 0.00 H new ATOM 0 HA ALA A 45 63.336 36.114 36.573 1.00 0.00 H new ATOM 0 HB1 ALA A 45 64.692 36.322 34.488 1.00 0.00 H new ATOM 0 HB2 ALA A 45 63.322 35.210 34.253 1.00 0.00 H new ATOM 0 HB3 ALA A 45 63.245 36.867 33.607 1.00 0.00 H new ATOM 677 N PHE A 46 64.696 38.378 36.388 1.00 0.00 N ATOM 678 CA PHE A 46 65.396 39.657 36.174 1.00 0.00 C ATOM 679 C PHE A 46 66.303 39.568 34.943 1.00 0.00 C ATOM 680 O PHE A 46 66.748 38.482 34.574 1.00 0.00 O ATOM 681 CB PHE A 46 66.095 40.164 37.449 1.00 0.00 C ATOM 682 CG PHE A 46 66.731 39.165 38.395 1.00 0.00 C ATOM 683 CD1 PHE A 46 65.931 38.448 39.305 1.00 0.00 C ATOM 684 CD2 PHE A 46 68.131 39.051 38.464 1.00 0.00 C ATOM 685 CE1 PHE A 46 66.528 37.610 40.262 1.00 0.00 C ATOM 686 CE2 PHE A 46 68.731 38.222 39.425 1.00 0.00 C ATOM 687 CZ PHE A 46 67.929 37.494 40.317 1.00 0.00 C ATOM 0 H PHE A 46 65.280 37.656 36.811 1.00 0.00 H new ATOM 0 HA PHE A 46 64.658 40.428 35.955 1.00 0.00 H new ATOM 0 HB2 PHE A 46 66.872 40.863 37.140 1.00 0.00 H new ATOM 0 HB3 PHE A 46 65.362 40.734 38.020 1.00 0.00 H new ATOM 0 HD1 PHE A 46 64.856 38.542 39.267 1.00 0.00 H new ATOM 0 HD2 PHE A 46 68.749 39.605 37.773 1.00 0.00 H new ATOM 0 HE1 PHE A 46 65.912 37.056 40.955 1.00 0.00 H new ATOM 0 HE2 PHE A 46 69.807 38.145 39.478 1.00 0.00 H new ATOM 0 HZ PHE A 46 68.388 36.844 41.047 1.00 0.00 H new ATOM 697 N THR A 47 66.529 40.692 34.257 1.00 0.00 N ATOM 698 CA THR A 47 67.366 40.703 33.037 1.00 0.00 C ATOM 699 C THR A 47 68.863 40.738 33.352 1.00 0.00 C ATOM 700 O THR A 47 69.653 40.060 32.692 1.00 0.00 O ATOM 701 CB THR A 47 66.988 41.828 32.060 1.00 0.00 C ATOM 702 OG1 THR A 47 66.357 42.925 32.680 1.00 0.00 O ATOM 703 CG2 THR A 47 66.001 41.337 31.003 1.00 0.00 C ATOM 0 H THR A 47 66.151 41.603 34.517 1.00 0.00 H new ATOM 0 HA THR A 47 67.155 39.757 32.537 1.00 0.00 H new ATOM 0 HB THR A 47 67.941 42.137 31.629 1.00 0.00 H new ATOM 0 HG1 THR A 47 66.902 43.232 33.434 1.00 0.00 H new ATOM 0 HG21 THR A 47 65.754 42.156 30.328 1.00 0.00 H new ATOM 0 HG22 THR A 47 66.451 40.522 30.436 1.00 0.00 H new ATOM 0 HG23 THR A 47 65.093 40.982 31.490 1.00 0.00 H new ATOM 711 N GLU A 48 69.246 41.483 34.388 1.00 0.00 N ATOM 712 CA GLU A 48 70.574 41.615 34.947 1.00 0.00 C ATOM 713 C GLU A 48 70.562 41.703 36.476 1.00 0.00 C ATOM 714 O GLU A 48 69.523 41.797 37.127 1.00 0.00 O ATOM 715 CB GLU A 48 71.266 42.857 34.378 1.00 0.00 C ATOM 716 CG GLU A 48 70.549 44.199 34.319 1.00 0.00 C ATOM 717 CD GLU A 48 69.337 44.225 33.386 1.00 0.00 C ATOM 718 OE1 GLU A 48 69.512 44.263 32.146 1.00 0.00 O ATOM 719 OE2 GLU A 48 68.202 44.127 33.897 1.00 0.00 O ATOM 0 H GLU A 48 68.571 42.055 34.895 1.00 0.00 H new ATOM 0 HA GLU A 48 71.123 40.715 34.669 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.177 43.008 34.957 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.571 42.614 33.360 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.225 44.469 35.324 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.257 44.962 33.997 1.00 0.00 H new ATOM 726 N THR A 49 71.769 41.705 37.033 1.00 0.00 N ATOM 727 CA THR A 49 72.014 41.831 38.483 1.00 0.00 C ATOM 728 C THR A 49 73.102 42.824 38.864 1.00 0.00 C ATOM 729 O THR A 49 73.946 43.216 38.062 1.00 0.00 O ATOM 730 CB THR A 49 72.283 40.477 39.154 1.00 0.00 C ATOM 731 OG1 THR A 49 72.246 40.576 40.558 1.00 0.00 O ATOM 732 CG2 THR A 49 73.592 39.807 38.740 1.00 0.00 C ATOM 0 H THR A 49 72.626 41.618 36.487 1.00 0.00 H new ATOM 0 HA THR A 49 71.077 42.238 38.864 1.00 0.00 H new ATOM 0 HB THR A 49 71.473 39.842 38.797 1.00 0.00 H new ATOM 0 HG1 THR A 49 72.099 39.688 40.945 1.00 0.00 H new ATOM 0 HG21 THR A 49 73.696 38.857 39.264 1.00 0.00 H new ATOM 0 HG22 THR A 49 73.585 39.629 37.665 1.00 0.00 H new ATOM 0 HG23 THR A 49 74.430 40.456 38.995 1.00 0.00 H new ATOM 740 N ILE A 50 73.044 43.190 40.144 1.00 0.00 N ATOM 741 CA ILE A 50 73.938 44.097 40.904 1.00 0.00 C ATOM 742 C ILE A 50 74.973 43.321 41.717 1.00 0.00 C ATOM 743 O ILE A 50 75.855 43.866 42.367 1.00 0.00 O ATOM 744 CB ILE A 50 73.033 45.001 41.762 1.00 0.00 C ATOM 745 CG1 ILE A 50 71.959 45.706 40.896 1.00 0.00 C ATOM 746 CG2 ILE A 50 73.764 46.067 42.593 1.00 0.00 C ATOM 747 CD1 ILE A 50 72.520 46.186 39.554 1.00 0.00 C ATOM 0 H ILE A 50 72.301 42.830 40.743 1.00 0.00 H new ATOM 0 HA ILE A 50 74.534 44.716 40.234 1.00 0.00 H new ATOM 0 HB ILE A 50 72.577 44.309 42.470 1.00 0.00 H new ATOM 0 HG12 ILE A 50 71.131 45.020 40.717 1.00 0.00 H new ATOM 0 HG13 ILE A 50 71.555 46.557 41.444 1.00 0.00 H new ATOM 0 HG21 ILE A 50 73.037 46.649 43.160 1.00 0.00 H new ATOM 0 HG22 ILE A 50 74.455 45.581 43.281 1.00 0.00 H new ATOM 0 HG23 ILE A 50 74.319 46.729 41.928 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.730 46.673 38.983 1.00 0.00 H new ATOM 0 HD12 ILE A 50 73.330 46.894 39.730 1.00 0.00 H new ATOM 0 HD13 ILE A 50 72.900 45.333 38.992 1.00 0.00 H new ATOM 759 N HIS A 51 74.816 42.009 41.650 1.00 0.00 N ATOM 760 CA HIS A 51 75.658 41.013 42.340 1.00 0.00 C ATOM 761 C HIS A 51 77.147 41.153 41.899 1.00 0.00 C ATOM 762 O HIS A 51 77.460 40.862 40.738 1.00 0.00 O ATOM 763 CB HIS A 51 75.058 39.615 42.111 1.00 0.00 C ATOM 764 CG HIS A 51 75.422 38.543 43.109 1.00 0.00 C ATOM 765 ND1 HIS A 51 75.740 37.250 42.785 1.00 0.00 N flip ATOM 766 CD2 HIS A 51 75.249 38.576 44.481 1.00 0.00 C flip ATOM 767 CE1 HIS A 51 75.780 36.496 43.961 1.00 0.00 C flip ATOM 768 NE2 HIS A 51 75.484 37.341 44.961 1.00 0.00 N flip ATOM 0 H HIS A 51 74.074 41.580 41.096 1.00 0.00 H new ATOM 0 HA HIS A 51 75.665 41.185 43.416 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.972 39.710 42.097 1.00 0.00 H new ATOM 0 HB3 HIS A 51 75.361 39.274 41.121 1.00 0.00 H new ATOM 0 HD2 HIS A 51 74.973 39.442 45.065 1.00 0.00 H new ATOM 0 HE1 HIS A 51 76.004 35.443 44.048 1.00 0.00 H new ATOM 0 HE2 HIS A 51 75.443 37.083 45.947 1.00 0.00 H new ATOM 776 N PRO A 52 78.054 41.677 42.757 1.00 0.00 N ATOM 777 CA PRO A 52 79.329 42.271 42.327 1.00 0.00 C ATOM 778 C PRO A 52 80.496 41.268 42.283 1.00 0.00 C ATOM 779 O PRO A 52 80.374 40.131 42.709 1.00 0.00 O ATOM 780 CB PRO A 52 79.577 43.398 43.338 1.00 0.00 C ATOM 781 CG PRO A 52 79.047 42.793 44.636 1.00 0.00 C ATOM 782 CD PRO A 52 77.824 42.004 44.164 1.00 0.00 C ATOM 0 HA PRO A 52 79.270 42.628 41.299 1.00 0.00 H new ATOM 0 HB2 PRO A 52 80.634 43.654 43.410 1.00 0.00 H new ATOM 0 HB3 PRO A 52 79.046 44.311 43.068 1.00 0.00 H new ATOM 0 HG2 PRO A 52 79.785 42.149 45.113 1.00 0.00 H new ATOM 0 HG3 PRO A 52 78.778 43.561 45.361 1.00 0.00 H new ATOM 0 HD2 PRO A 52 77.695 41.098 44.756 1.00 0.00 H new ATOM 0 HD3 PRO A 52 76.914 42.593 44.281 1.00 0.00 H new ATOM 790 N ASP A 53 81.683 41.710 41.867 1.00 0.00 N ATOM 791 CA ASP A 53 82.918 40.929 41.656 1.00 0.00 C ATOM 792 C ASP A 53 83.563 40.371 42.945 1.00 0.00 C ATOM 793 O ASP A 53 84.592 39.687 42.932 1.00 0.00 O ATOM 794 CB ASP A 53 83.892 41.763 40.808 1.00 0.00 C ATOM 795 CG ASP A 53 84.084 43.182 41.346 1.00 0.00 C ATOM 796 OD1 ASP A 53 83.208 44.040 41.059 1.00 0.00 O ATOM 797 OD2 ASP A 53 85.078 43.442 42.061 1.00 0.00 O ATOM 0 H ASP A 53 81.825 42.697 41.650 1.00 0.00 H new ATOM 0 HA ASP A 53 82.645 40.024 41.114 1.00 0.00 H new ATOM 0 HB2 ASP A 53 84.858 41.259 40.773 1.00 0.00 H new ATOM 0 HB3 ASP A 53 83.522 41.815 39.784 1.00 0.00 H new ATOM 802 N SER A 54 82.882 40.571 44.069 1.00 0.00 N ATOM 803 CA SER A 54 83.047 39.736 45.271 1.00 0.00 C ATOM 804 C SER A 54 82.614 38.276 45.100 1.00 0.00 C ATOM 805 O SER A 54 83.124 37.380 45.769 1.00 0.00 O ATOM 806 CB SER A 54 82.268 40.341 46.435 1.00 0.00 C ATOM 807 OG SER A 54 82.992 41.411 47.006 1.00 0.00 O ATOM 0 H SER A 54 82.196 41.317 44.180 1.00 0.00 H new ATOM 0 HA SER A 54 84.119 39.723 45.466 1.00 0.00 H new ATOM 0 HB2 SER A 54 81.297 40.694 46.087 1.00 0.00 H new ATOM 0 HB3 SER A 54 82.078 39.578 47.190 1.00 0.00 H new ATOM 0 HG SER A 54 82.481 41.792 47.750 1.00 0.00 H new ATOM 813 N VAL A 55 81.713 38.039 44.166 1.00 0.00 N ATOM 814 CA VAL A 55 81.006 36.775 43.902 1.00 0.00 C ATOM 815 C VAL A 55 81.554 36.074 42.661 1.00 0.00 C ATOM 816 O VAL A 55 82.405 36.606 41.943 1.00 0.00 O ATOM 817 CB VAL A 55 79.480 37.003 43.836 1.00 0.00 C ATOM 818 CG1 VAL A 55 79.027 37.926 44.979 1.00 0.00 C ATOM 819 CG2 VAL A 55 78.985 37.492 42.465 1.00 0.00 C ATOM 0 H VAL A 55 81.426 38.772 43.517 1.00 0.00 H new ATOM 0 HA VAL A 55 81.190 36.099 44.737 1.00 0.00 H new ATOM 0 HB VAL A 55 79.010 36.028 43.969 1.00 0.00 H new ATOM 0 HG11 VAL A 55 77.949 38.077 44.919 1.00 0.00 H new ATOM 0 HG12 VAL A 55 79.277 37.469 45.936 1.00 0.00 H new ATOM 0 HG13 VAL A 55 79.534 38.887 44.893 1.00 0.00 H new ATOM 0 HG21 VAL A 55 77.904 37.629 42.496 1.00 0.00 H new ATOM 0 HG22 VAL A 55 79.465 38.440 42.222 1.00 0.00 H new ATOM 0 HG23 VAL A 55 79.235 36.753 41.703 1.00 0.00 H new ATOM 829 N THR A 56 81.067 34.861 42.414 1.00 0.00 N ATOM 830 CA THR A 56 81.479 34.030 41.265 1.00 0.00 C ATOM 831 C THR A 56 80.325 33.268 40.627 1.00 0.00 C ATOM 832 O THR A 56 79.262 33.109 41.212 1.00 0.00 O ATOM 833 CB THR A 56 82.626 33.086 41.646 1.00 0.00 C ATOM 834 OG1 THR A 56 83.210 32.517 40.494 1.00 0.00 O ATOM 835 CG2 THR A 56 82.228 31.954 42.595 1.00 0.00 C ATOM 0 H THR A 56 80.367 34.414 43.007 1.00 0.00 H new ATOM 0 HA THR A 56 81.840 34.722 40.505 1.00 0.00 H new ATOM 0 HB THR A 56 83.337 33.718 42.178 1.00 0.00 H new ATOM 0 HG1 THR A 56 83.940 31.920 40.759 1.00 0.00 H new ATOM 0 HG21 THR A 56 83.100 31.336 42.811 1.00 0.00 H new ATOM 0 HG22 THR A 56 81.844 32.376 43.524 1.00 0.00 H new ATOM 0 HG23 THR A 56 81.456 31.342 42.128 1.00 0.00 H new ATOM 843 N LYS A 57 80.518 32.783 39.403 1.00 0.00 N ATOM 844 CA LYS A 57 79.617 31.876 38.727 1.00 0.00 C ATOM 845 C LYS A 57 80.308 30.724 38.011 1.00 0.00 C ATOM 846 O LYS A 57 81.473 30.803 37.611 1.00 0.00 O ATOM 847 CB LYS A 57 78.726 32.659 37.788 1.00 0.00 C ATOM 848 CG LYS A 57 79.230 33.866 37.020 1.00 0.00 C ATOM 849 CD LYS A 57 80.419 33.646 36.083 1.00 0.00 C ATOM 850 CE LYS A 57 80.388 34.779 35.053 1.00 0.00 C ATOM 851 NZ LYS A 57 81.685 34.967 34.372 1.00 0.00 N ATOM 0 H LYS A 57 81.336 33.023 38.843 1.00 0.00 H new ATOM 0 HA LYS A 57 79.014 31.396 39.498 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.349 31.951 37.049 1.00 0.00 H new ATOM 0 HB3 LYS A 57 77.870 32.994 38.374 1.00 0.00 H new ATOM 0 HG2 LYS A 57 78.403 34.262 36.431 1.00 0.00 H new ATOM 0 HG3 LYS A 57 79.505 34.636 37.741 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.356 33.655 36.639 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.349 32.675 35.592 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.619 34.567 34.310 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.105 35.707 35.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 81.608 35.745 33.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 82.416 35.196 35.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.946 34.092 33.874 1.00 0.00 H new ATOM 865 N CYS A 58 79.532 29.670 37.811 1.00 0.00 N ATOM 866 CA CYS A 58 79.941 28.435 37.147 1.00 0.00 C ATOM 867 C CYS A 58 78.827 27.758 36.322 1.00 0.00 C ATOM 868 O CYS A 58 77.646 27.988 36.559 1.00 0.00 O ATOM 869 CB CYS A 58 80.531 27.509 38.213 1.00 0.00 C ATOM 870 SG CYS A 58 79.481 27.311 39.683 1.00 0.00 S ATOM 0 H CYS A 58 78.560 29.648 38.118 1.00 0.00 H new ATOM 0 HA CYS A 58 80.693 28.677 36.396 1.00 0.00 H new ATOM 0 HB2 CYS A 58 80.708 26.529 37.771 1.00 0.00 H new ATOM 0 HB3 CYS A 58 81.501 27.899 38.522 1.00 0.00 H new ATOM 0 HG CYS A 58 80.061 26.510 40.526 1.00 0.00 H new ATOM 876 N PRO A 59 79.156 26.918 35.326 1.00 0.00 N ATOM 877 CA PRO A 59 78.152 26.117 34.633 1.00 0.00 C ATOM 878 C PRO A 59 77.582 25.038 35.550 1.00 0.00 C ATOM 879 O PRO A 59 78.256 24.557 36.464 1.00 0.00 O ATOM 880 CB PRO A 59 78.859 25.513 33.425 1.00 0.00 C ATOM 881 CG PRO A 59 80.335 25.484 33.839 1.00 0.00 C ATOM 882 CD PRO A 59 80.490 26.641 34.828 1.00 0.00 C ATOM 0 HA PRO A 59 77.301 26.723 34.323 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.487 24.513 33.203 1.00 0.00 H new ATOM 0 HB3 PRO A 59 78.707 26.116 32.530 1.00 0.00 H new ATOM 0 HG2 PRO A 59 80.597 24.532 34.301 1.00 0.00 H new ATOM 0 HG3 PRO A 59 80.990 25.611 32.977 1.00 0.00 H new ATOM 0 HD2 PRO A 59 81.163 26.372 35.642 1.00 0.00 H new ATOM 0 HD3 PRO A 59 80.915 27.518 34.340 1.00 0.00 H new ATOM 890 N GLU A 60 76.349 24.618 35.276 1.00 0.00 N ATOM 891 CA GLU A 60 75.883 23.337 35.779 1.00 0.00 C ATOM 892 C GLU A 60 76.454 22.151 35.018 1.00 0.00 C ATOM 893 O GLU A 60 76.791 22.201 33.833 1.00 0.00 O ATOM 894 CB GLU A 60 74.362 23.177 35.803 1.00 0.00 C ATOM 895 CG GLU A 60 73.646 23.738 37.025 1.00 0.00 C ATOM 896 CD GLU A 60 73.905 22.872 38.266 1.00 0.00 C ATOM 897 OE1 GLU A 60 74.866 22.069 38.270 1.00 0.00 O ATOM 898 OE2 GLU A 60 73.189 23.023 39.282 1.00 0.00 O ATOM 0 H GLU A 60 75.670 25.137 34.720 1.00 0.00 H new ATOM 0 HA GLU A 60 76.251 23.341 36.805 1.00 0.00 H new ATOM 0 HB2 GLU A 60 73.953 23.659 34.915 1.00 0.00 H new ATOM 0 HB3 GLU A 60 74.128 22.115 35.726 1.00 0.00 H new ATOM 0 HG2 GLU A 60 73.985 24.757 37.212 1.00 0.00 H new ATOM 0 HG3 GLU A 60 72.575 23.789 36.831 1.00 0.00 H new ATOM 905 N LYS A 61 76.465 21.046 35.752 1.00 0.00 N ATOM 906 CA LYS A 61 76.973 19.739 35.383 1.00 0.00 C ATOM 907 C LYS A 61 75.897 18.780 34.925 1.00 0.00 C ATOM 908 O LYS A 61 76.013 18.136 33.889 1.00 0.00 O ATOM 909 CB LYS A 61 77.732 19.224 36.593 1.00 0.00 C ATOM 910 CG LYS A 61 78.510 17.929 36.402 1.00 0.00 C ATOM 911 CD LYS A 61 79.615 18.225 35.384 1.00 0.00 C ATOM 912 CE LYS A 61 80.662 17.113 35.249 1.00 0.00 C ATOM 913 NZ LYS A 61 81.689 17.157 36.318 1.00 0.00 N ATOM 0 H LYS A 61 76.086 21.045 36.699 1.00 0.00 H new ATOM 0 HA LYS A 61 77.625 19.822 34.514 1.00 0.00 H new ATOM 0 HB2 LYS A 61 78.430 19.998 36.914 1.00 0.00 H new ATOM 0 HB3 LYS A 61 77.021 19.079 37.406 1.00 0.00 H new ATOM 0 HG2 LYS A 61 78.935 17.590 37.347 1.00 0.00 H new ATOM 0 HG3 LYS A 61 77.856 17.134 36.043 1.00 0.00 H new ATOM 0 HD2 LYS A 61 79.158 18.398 34.410 1.00 0.00 H new ATOM 0 HD3 LYS A 61 80.118 19.149 35.669 1.00 0.00 H new ATOM 0 HE2 LYS A 61 80.162 16.145 35.272 1.00 0.00 H new ATOM 0 HE3 LYS A 61 81.151 17.197 34.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 82.370 16.384 36.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 82.188 18.069 36.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 81.230 17.050 37.245 1.00 0.00 H new ATOM 927 N ASN A 62 74.823 18.750 35.699 1.00 0.00 N ATOM 928 CA ASN A 62 73.601 18.018 35.404 1.00 0.00 C ATOM 929 C ASN A 62 72.571 18.880 34.659 1.00 0.00 C ATOM 930 O ASN A 62 71.529 18.363 34.252 1.00 0.00 O ATOM 931 CB ASN A 62 73.116 17.339 36.703 1.00 0.00 C ATOM 932 CG ASN A 62 73.182 18.274 37.891 1.00 0.00 C ATOM 933 OD1 ASN A 62 72.831 19.440 37.804 1.00 0.00 O ATOM 934 ND2 ASN A 62 73.743 17.823 38.983 1.00 0.00 N ATOM 0 H ASN A 62 74.777 19.255 36.584 1.00 0.00 H new ATOM 0 HA ASN A 62 73.786 17.218 34.688 1.00 0.00 H new ATOM 0 HB2 ASN A 62 72.091 16.993 36.570 1.00 0.00 H new ATOM 0 HB3 ASN A 62 73.726 16.458 36.901 1.00 0.00 H new ATOM 0 HD21 ASN A 62 73.892 18.448 39.775 1.00 0.00 H new ATOM 0 HD22 ASN A 62 74.031 16.846 39.042 1.00 0.00 H new ATOM 941 N ARG A 63 72.906 20.146 34.363 1.00 0.00 N ATOM 942 CA ARG A 63 72.170 21.024 33.460 1.00 0.00 C ATOM 943 C ARG A 63 73.098 21.745 32.465 1.00 0.00 C ATOM 944 O ARG A 63 73.374 22.927 32.649 1.00 0.00 O ATOM 945 CB ARG A 63 71.285 22.014 34.237 1.00 0.00 C ATOM 946 CG ARG A 63 70.484 21.422 35.400 1.00 0.00 C ATOM 947 CD ARG A 63 69.375 22.414 35.776 1.00 0.00 C ATOM 948 NE ARG A 63 68.496 21.916 36.850 1.00 0.00 N ATOM 949 CZ ARG A 63 67.191 22.099 36.958 1.00 0.00 C ATOM 950 NH1 ARG A 63 66.489 22.675 36.022 1.00 0.00 N ATOM 951 NH2 ARG A 63 66.585 21.722 38.041 1.00 0.00 N ATOM 0 H ARG A 63 73.729 20.596 34.765 1.00 0.00 H new ATOM 0 HA ARG A 63 71.510 20.391 32.867 1.00 0.00 H new ATOM 0 HB2 ARG A 63 71.919 22.811 34.626 1.00 0.00 H new ATOM 0 HB3 ARG A 63 70.587 22.475 33.538 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.054 20.462 35.115 1.00 0.00 H new ATOM 0 HG3 ARG A 63 71.135 21.238 36.255 1.00 0.00 H new ATOM 0 HD2 ARG A 63 69.828 23.354 36.091 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.774 22.630 34.893 1.00 0.00 H new ATOM 0 HE ARG A 63 68.942 21.372 37.589 1.00 0.00 H new ATOM 0 HH11 ARG A 63 66.945 23.002 35.170 1.00 0.00 H new ATOM 0 HH12 ARG A 63 65.484 22.799 36.142 1.00 0.00 H new ATOM 0 HH21 ARG A 63 67.115 21.290 38.798 1.00 0.00 H new ATOM 0 HH22 ARG A 63 65.579 21.858 38.136 1.00 0.00 H new ATOM 965 N PRO A 64 73.572 21.087 31.393 1.00 0.00 N ATOM 966 CA PRO A 64 74.547 21.655 30.449 1.00 0.00 C ATOM 967 C PRO A 64 73.952 22.704 29.482 1.00 0.00 C ATOM 968 O PRO A 64 74.352 22.806 28.321 1.00 0.00 O ATOM 969 CB PRO A 64 75.178 20.433 29.765 1.00 0.00 C ATOM 970 CG PRO A 64 74.020 19.436 29.731 1.00 0.00 C ATOM 971 CD PRO A 64 73.305 19.695 31.058 1.00 0.00 C ATOM 0 HA PRO A 64 75.303 22.252 30.959 1.00 0.00 H new ATOM 0 HB2 PRO A 64 75.539 20.670 28.764 1.00 0.00 H new ATOM 0 HB3 PRO A 64 76.028 20.048 30.327 1.00 0.00 H new ATOM 0 HG2 PRO A 64 73.363 19.609 28.878 1.00 0.00 H new ATOM 0 HG3 PRO A 64 74.374 18.408 29.657 1.00 0.00 H new ATOM 0 HD2 PRO A 64 72.234 19.514 30.966 1.00 0.00 H new ATOM 0 HD3 PRO A 64 73.675 19.028 31.837 1.00 0.00 H new ATOM 979 N GLU A 65 72.969 23.466 29.964 1.00 0.00 N ATOM 980 CA GLU A 65 72.026 24.317 29.243 1.00 0.00 C ATOM 981 C GLU A 65 71.778 25.687 29.915 1.00 0.00 C ATOM 982 O GLU A 65 70.905 26.442 29.496 1.00 0.00 O ATOM 983 CB GLU A 65 70.680 23.574 29.040 1.00 0.00 C ATOM 984 CG GLU A 65 70.754 22.060 28.913 1.00 0.00 C ATOM 985 CD GLU A 65 69.447 21.378 28.476 1.00 0.00 C ATOM 986 OE1 GLU A 65 68.352 21.831 28.881 1.00 0.00 O ATOM 987 OE2 GLU A 65 69.519 20.320 27.804 1.00 0.00 O ATOM 0 H GLU A 65 72.798 23.505 30.969 1.00 0.00 H new ATOM 0 HA GLU A 65 72.489 24.529 28.279 1.00 0.00 H new ATOM 0 HB2 GLU A 65 70.027 23.815 29.879 1.00 0.00 H new ATOM 0 HB3 GLU A 65 70.204 23.969 28.142 1.00 0.00 H new ATOM 0 HG2 GLU A 65 71.535 21.809 28.195 1.00 0.00 H new ATOM 0 HG3 GLU A 65 71.059 21.645 29.874 1.00 0.00 H new ATOM 994 N ALA A 66 72.508 25.990 30.989 1.00 0.00 N ATOM 995 CA ALA A 66 72.397 27.190 31.813 1.00 0.00 C ATOM 996 C ALA A 66 73.683 27.383 32.641 1.00 0.00 C ATOM 997 O ALA A 66 74.513 26.478 32.765 1.00 0.00 O ATOM 998 CB ALA A 66 71.177 27.047 32.738 1.00 0.00 C ATOM 0 H ALA A 66 73.238 25.363 31.326 1.00 0.00 H new ATOM 0 HA ALA A 66 72.268 28.065 31.177 1.00 0.00 H new ATOM 0 HB1 ALA A 66 71.084 27.938 33.359 1.00 0.00 H new ATOM 0 HB2 ALA A 66 70.276 26.929 32.136 1.00 0.00 H new ATOM 0 HB3 ALA A 66 71.305 26.172 33.376 1.00 0.00 H new ATOM 1004 N LEU A 67 73.815 28.560 33.248 1.00 0.00 N ATOM 1005 CA LEU A 67 74.841 28.865 34.253 1.00 0.00 C ATOM 1006 C LEU A 67 74.184 29.027 35.622 1.00 0.00 C ATOM 1007 O LEU A 67 73.067 29.533 35.740 1.00 0.00 O ATOM 1008 CB LEU A 67 75.586 30.139 33.831 1.00 0.00 C ATOM 1009 CG LEU A 67 76.914 30.504 34.516 1.00 0.00 C ATOM 1010 CD1 LEU A 67 78.095 29.846 33.798 1.00 0.00 C ATOM 1011 CD2 LEU A 67 77.142 32.013 34.439 1.00 0.00 C ATOM 0 H LEU A 67 73.199 29.349 33.053 1.00 0.00 H new ATOM 0 HA LEU A 67 75.561 28.050 34.323 1.00 0.00 H new ATOM 0 HB2 LEU A 67 75.781 30.064 32.761 1.00 0.00 H new ATOM 0 HB3 LEU A 67 74.904 30.978 33.973 1.00 0.00 H new ATOM 0 HG LEU A 67 76.853 30.161 35.549 1.00 0.00 H new ATOM 0 HD11 LEU A 67 79.023 30.118 34.300 1.00 0.00 H new ATOM 0 HD12 LEU A 67 77.976 28.763 33.819 1.00 0.00 H new ATOM 0 HD13 LEU A 67 78.128 30.188 32.764 1.00 0.00 H new ATOM 0 HD21 LEU A 67 78.084 32.264 34.926 1.00 0.00 H new ATOM 0 HD22 LEU A 67 77.180 32.322 33.395 1.00 0.00 H new ATOM 0 HD23 LEU A 67 76.325 32.531 34.941 1.00 0.00 H new ATOM 1023 N LYS A 68 74.913 28.646 36.661 1.00 0.00 N ATOM 1024 CA LYS A 68 74.590 28.909 38.062 1.00 0.00 C ATOM 1025 C LYS A 68 75.540 29.945 38.654 1.00 0.00 C ATOM 1026 O LYS A 68 76.732 29.969 38.357 1.00 0.00 O ATOM 1027 CB LYS A 68 74.580 27.601 38.852 1.00 0.00 C ATOM 1028 CG LYS A 68 75.841 26.745 38.664 1.00 0.00 C ATOM 1029 CD LYS A 68 75.709 25.579 39.610 1.00 0.00 C ATOM 1030 CE LYS A 68 76.888 24.611 39.556 1.00 0.00 C ATOM 1031 NZ LYS A 68 76.520 23.294 40.126 1.00 0.00 N ATOM 0 H LYS A 68 75.782 28.124 36.550 1.00 0.00 H new ATOM 0 HA LYS A 68 73.589 29.335 38.126 1.00 0.00 H new ATOM 0 HB2 LYS A 68 74.464 27.830 39.911 1.00 0.00 H new ATOM 0 HB3 LYS A 68 73.709 27.016 38.555 1.00 0.00 H new ATOM 0 HG2 LYS A 68 75.927 26.401 37.633 1.00 0.00 H new ATOM 0 HG3 LYS A 68 76.739 27.323 38.883 1.00 0.00 H new ATOM 0 HD2 LYS A 68 75.607 25.957 40.627 1.00 0.00 H new ATOM 0 HD3 LYS A 68 74.793 25.036 39.378 1.00 0.00 H new ATOM 0 HE2 LYS A 68 77.214 24.486 38.523 1.00 0.00 H new ATOM 0 HE3 LYS A 68 77.731 25.027 40.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 77.358 22.857 40.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 75.783 23.422 40.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 76.160 22.677 39.370 1.00 0.00 H new ATOM 1045 N VAL A 69 75.016 30.828 39.495 1.00 0.00 N ATOM 1046 CA VAL A 69 75.801 31.913 40.088 1.00 0.00 C ATOM 1047 C VAL A 69 75.772 31.842 41.614 1.00 0.00 C ATOM 1048 O VAL A 69 74.695 31.743 42.210 1.00 0.00 O ATOM 1049 CB VAL A 69 75.296 33.272 39.577 1.00 0.00 C ATOM 1050 CG1 VAL A 69 76.217 34.384 40.089 1.00 0.00 C ATOM 1051 CG2 VAL A 69 75.142 33.316 38.045 1.00 0.00 C ATOM 0 H VAL A 69 74.039 30.816 39.787 1.00 0.00 H new ATOM 0 HA VAL A 69 76.840 31.799 39.780 1.00 0.00 H new ATOM 0 HB VAL A 69 74.293 33.429 39.973 1.00 0.00 H new ATOM 0 HG11 VAL A 69 75.860 35.348 39.727 1.00 0.00 H new ATOM 0 HG12 VAL A 69 76.217 34.383 41.179 1.00 0.00 H new ATOM 0 HG13 VAL A 69 77.230 34.213 39.726 1.00 0.00 H new ATOM 0 HG21 VAL A 69 74.783 34.300 37.744 1.00 0.00 H new ATOM 0 HG22 VAL A 69 76.107 33.123 37.577 1.00 0.00 H new ATOM 0 HG23 VAL A 69 74.427 32.556 37.729 1.00 0.00 H new ATOM 1061 N SER A 70 76.940 31.914 42.256 1.00 0.00 N ATOM 1062 CA SER A 70 77.073 31.760 43.715 1.00 0.00 C ATOM 1063 C SER A 70 77.771 32.919 44.435 1.00 0.00 C ATOM 1064 O SER A 70 78.734 33.524 43.957 1.00 0.00 O ATOM 1065 CB SER A 70 77.762 30.439 44.086 1.00 0.00 C ATOM 1066 OG SER A 70 78.902 30.148 43.294 1.00 0.00 O ATOM 0 H SER A 70 77.827 32.081 41.781 1.00 0.00 H new ATOM 0 HA SER A 70 76.042 31.759 44.068 1.00 0.00 H new ATOM 0 HB2 SER A 70 78.059 30.476 45.134 1.00 0.00 H new ATOM 0 HB3 SER A 70 77.044 29.625 43.987 1.00 0.00 H new ATOM 0 HG SER A 70 79.292 29.297 43.583 1.00 0.00 H new ATOM 1072 N CYS A 71 77.328 33.153 45.674 1.00 0.00 N ATOM 1073 CA CYS A 71 77.977 34.099 46.559 1.00 0.00 C ATOM 1074 C CYS A 71 79.190 33.391 47.185 1.00 0.00 C ATOM 1075 O CYS A 71 79.130 32.845 48.283 1.00 0.00 O ATOM 1076 CB CYS A 71 76.946 34.641 47.557 1.00 0.00 C ATOM 1077 SG CYS A 71 77.746 35.961 48.503 1.00 0.00 S ATOM 0 H CYS A 71 76.515 32.691 46.081 1.00 0.00 H new ATOM 0 HA CYS A 71 78.360 34.979 46.042 1.00 0.00 H new ATOM 0 HB2 CYS A 71 76.069 35.022 47.033 1.00 0.00 H new ATOM 0 HB3 CYS A 71 76.601 33.848 48.221 1.00 0.00 H new ATOM 0 HG CYS A 71 77.262 35.985 49.709 1.00 0.00 H new ATOM 1082 N GLY A 72 80.284 33.299 46.431 1.00 0.00 N ATOM 1083 CA GLY A 72 81.487 32.584 46.869 1.00 0.00 C ATOM 1084 C GLY A 72 82.224 33.242 48.048 1.00 0.00 C ATOM 1085 O GLY A 72 83.164 32.653 48.578 1.00 0.00 O ATOM 0 H GLY A 72 80.364 33.715 45.503 1.00 0.00 H new ATOM 0 HA2 GLY A 72 81.209 31.569 47.152 1.00 0.00 H new ATOM 0 HA3 GLY A 72 82.174 32.503 46.026 1.00 0.00 H new ATOM 1089 N LYS A 73 81.789 34.428 48.496 1.00 0.00 N ATOM 1090 CA LYS A 73 82.287 35.131 49.685 1.00 0.00 C ATOM 1091 C LYS A 73 81.861 34.443 50.984 1.00 0.00 C ATOM 1092 O LYS A 73 82.712 34.091 51.805 1.00 0.00 O ATOM 1093 CB LYS A 73 81.795 36.583 49.650 1.00 0.00 C ATOM 1094 CG LYS A 73 82.871 37.598 49.243 1.00 0.00 C ATOM 1095 CD LYS A 73 83.926 37.798 50.334 1.00 0.00 C ATOM 1096 CE LYS A 73 84.936 38.878 49.926 1.00 0.00 C ATOM 1097 NZ LYS A 73 85.836 39.208 51.054 1.00 0.00 N ATOM 0 H LYS A 73 81.050 34.945 48.019 1.00 0.00 H new ATOM 0 HA LYS A 73 83.377 35.109 49.666 1.00 0.00 H new ATOM 0 HB2 LYS A 73 80.960 36.656 48.954 1.00 0.00 H new ATOM 0 HB3 LYS A 73 81.413 36.850 50.635 1.00 0.00 H new ATOM 0 HG2 LYS A 73 83.358 37.260 48.328 1.00 0.00 H new ATOM 0 HG3 LYS A 73 82.398 38.554 49.018 1.00 0.00 H new ATOM 0 HD2 LYS A 73 83.440 38.082 51.268 1.00 0.00 H new ATOM 0 HD3 LYS A 73 84.447 36.858 50.519 1.00 0.00 H new ATOM 0 HE2 LYS A 73 85.523 38.531 49.076 1.00 0.00 H new ATOM 0 HE3 LYS A 73 84.406 39.774 49.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 86.511 39.941 50.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 85.274 39.560 51.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 86.356 38.355 51.344 1.00 0.00 H new ATOM 1111 N CYS A 74 80.559 34.221 51.123 1.00 0.00 N ATOM 1112 CA CYS A 74 79.883 33.627 52.260 1.00 0.00 C ATOM 1113 C CYS A 74 79.521 32.141 52.016 1.00 0.00 C ATOM 1114 O CYS A 74 79.186 31.401 52.944 1.00 0.00 O ATOM 1115 CB CYS A 74 78.703 34.568 52.500 1.00 0.00 C ATOM 1116 SG CYS A 74 77.614 34.743 51.049 1.00 0.00 S ATOM 0 H CYS A 74 79.902 34.473 50.384 1.00 0.00 H new ATOM 0 HA CYS A 74 80.499 33.552 53.156 1.00 0.00 H new ATOM 0 HB2 CYS A 74 78.118 34.198 53.342 1.00 0.00 H new ATOM 0 HB3 CYS A 74 79.082 35.550 52.782 1.00 0.00 H new ATOM 0 HG CYS A 74 78.284 35.263 50.064 1.00 0.00 H new ATOM 1121 N GLY A 75 79.655 31.716 50.757 1.00 0.00 N ATOM 1122 CA GLY A 75 79.617 30.331 50.308 1.00 0.00 C ATOM 1123 C GLY A 75 78.224 29.845 49.910 1.00 0.00 C ATOM 1124 O GLY A 75 77.854 28.725 50.263 1.00 0.00 O ATOM 0 H GLY A 75 79.800 32.368 49.986 1.00 0.00 H new ATOM 0 HA2 GLY A 75 80.287 30.217 49.456 1.00 0.00 H new ATOM 0 HA3 GLY A 75 80.000 29.691 51.103 1.00 0.00 H new ATOM 1128 N ASN A 76 77.428 30.672 49.218 1.00 0.00 N ATOM 1129 CA ASN A 76 76.059 30.343 48.835 1.00 0.00 C ATOM 1130 C ASN A 76 75.954 29.974 47.346 1.00 0.00 C ATOM 1131 O ASN A 76 76.740 29.195 46.808 1.00 0.00 O ATOM 1132 CB ASN A 76 75.095 31.403 49.400 1.00 0.00 C ATOM 1133 CG ASN A 76 73.629 30.958 49.400 1.00 0.00 C ATOM 1134 OD1 ASN A 76 73.307 29.786 49.259 1.00 0.00 O ATOM 1135 ND2 ASN A 76 72.700 31.882 49.458 1.00 0.00 N ATOM 0 H ASN A 76 77.725 31.597 48.908 1.00 0.00 H new ATOM 0 HA ASN A 76 75.723 29.417 49.301 1.00 0.00 H new ATOM 0 HB2 ASN A 76 75.393 31.646 50.420 1.00 0.00 H new ATOM 0 HB3 ASN A 76 75.189 32.317 48.814 1.00 0.00 H new ATOM 0 HD21 ASN A 76 71.716 31.622 49.386 1.00 0.00 H new ATOM 0 HD22 ASN A 76 72.961 32.861 49.575 1.00 0.00 H new ATOM 1142 N GLY A 77 74.931 30.498 46.692 1.00 0.00 N ATOM 1143 CA GLY A 77 74.378 30.064 45.428 1.00 0.00 C ATOM 1144 C GLY A 77 73.106 30.837 45.158 1.00 0.00 C ATOM 1145 O GLY A 77 72.004 30.301 45.261 1.00 0.00 O ATOM 0 H GLY A 77 74.428 31.303 47.065 1.00 0.00 H new ATOM 0 HA2 GLY A 77 75.097 30.229 44.626 1.00 0.00 H new ATOM 0 HA3 GLY A 77 74.170 28.994 45.455 1.00 0.00 H new ATOM 1149 N LEU A 78 73.287 32.137 44.921 1.00 0.00 N ATOM 1150 CA LEU A 78 72.227 33.120 44.714 1.00 0.00 C ATOM 1151 C LEU A 78 71.186 32.576 43.740 1.00 0.00 C ATOM 1152 O LEU A 78 69.992 32.604 44.021 1.00 0.00 O ATOM 1153 CB LEU A 78 72.861 34.440 44.223 1.00 0.00 C ATOM 1154 CG LEU A 78 71.812 35.499 43.813 1.00 0.00 C ATOM 1155 CD1 LEU A 78 72.208 36.902 44.258 1.00 0.00 C ATOM 1156 CD2 LEU A 78 71.623 35.570 42.294 1.00 0.00 C ATOM 0 H LEU A 78 74.218 32.550 44.866 1.00 0.00 H new ATOM 0 HA LEU A 78 71.705 33.321 45.650 1.00 0.00 H new ATOM 0 HB2 LEU A 78 73.492 34.849 45.012 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.509 34.231 43.372 1.00 0.00 H new ATOM 0 HG LEU A 78 70.892 35.181 44.303 1.00 0.00 H new ATOM 0 HD11 LEU A 78 71.441 37.612 43.948 1.00 0.00 H new ATOM 0 HD12 LEU A 78 72.307 36.925 45.343 1.00 0.00 H new ATOM 0 HD13 LEU A 78 73.160 37.173 43.801 1.00 0.00 H new ATOM 0 HD21 LEU A 78 70.877 36.328 42.055 1.00 0.00 H new ATOM 0 HD22 LEU A 78 72.570 35.832 41.821 1.00 0.00 H new ATOM 0 HD23 LEU A 78 71.288 34.601 41.923 1.00 0.00 H new ATOM 1168 N GLY A 79 71.635 32.042 42.612 1.00 0.00 N ATOM 1169 CA GLY A 79 70.690 31.678 41.561 1.00 0.00 C ATOM 1170 C GLY A 79 71.305 31.136 40.285 1.00 0.00 C ATOM 1171 O GLY A 79 72.300 30.417 40.299 1.00 0.00 O ATOM 0 H GLY A 79 72.616 31.855 42.403 1.00 0.00 H new ATOM 0 HA2 GLY A 79 70.003 30.931 41.958 1.00 0.00 H new ATOM 0 HA3 GLY A 79 70.095 32.557 41.312 1.00 0.00 H new ATOM 1175 N HIS A 80 70.667 31.469 39.171 1.00 0.00 N ATOM 1176 CA HIS A 80 71.073 31.079 37.825 1.00 0.00 C ATOM 1177 C HIS A 80 71.042 32.237 36.824 1.00 0.00 C ATOM 1178 O HIS A 80 70.277 33.190 36.946 1.00 0.00 O ATOM 1179 CB HIS A 80 70.167 29.966 37.332 1.00 0.00 C ATOM 1180 CG HIS A 80 70.567 28.564 37.723 1.00 0.00 C ATOM 1181 ND1 HIS A 80 70.733 28.056 38.993 1.00 0.00 N ATOM 1182 CD2 HIS A 80 70.827 27.544 36.850 1.00 0.00 C ATOM 1183 CE1 HIS A 80 71.058 26.755 38.879 1.00 0.00 C ATOM 1184 NE2 HIS A 80 71.124 26.396 37.588 1.00 0.00 N ATOM 0 H HIS A 80 69.821 32.039 39.179 1.00 0.00 H new ATOM 0 HA HIS A 80 72.108 30.744 37.890 1.00 0.00 H new ATOM 0 HB2 HIS A 80 69.160 30.152 37.705 1.00 0.00 H new ATOM 0 HB3 HIS A 80 70.119 30.019 36.244 1.00 0.00 H new ATOM 0 HD1 HIS A 80 70.628 28.574 39.865 1.00 0.00 H new ATOM 0 HD2 HIS A 80 70.806 27.614 35.772 1.00 0.00 H new ATOM 0 HE1 HIS A 80 71.240 26.092 39.712 1.00 0.00 H new ATOM 1192 N GLU A 81 71.807 32.063 35.758 1.00 0.00 N ATOM 1193 CA GLU A 81 71.916 32.934 34.599 1.00 0.00 C ATOM 1194 C GLU A 81 71.807 32.053 33.349 1.00 0.00 C ATOM 1195 O GLU A 81 72.670 31.223 33.071 1.00 0.00 O ATOM 1196 CB GLU A 81 73.257 33.681 34.677 1.00 0.00 C ATOM 1197 CG GLU A 81 73.403 34.762 33.592 1.00 0.00 C ATOM 1198 CD GLU A 81 74.748 35.517 33.597 1.00 0.00 C ATOM 1199 OE1 GLU A 81 75.636 35.268 34.442 1.00 0.00 O ATOM 1200 OE2 GLU A 81 74.933 36.416 32.740 1.00 0.00 O ATOM 0 H GLU A 81 72.414 31.247 35.675 1.00 0.00 H new ATOM 0 HA GLU A 81 71.125 33.683 34.563 1.00 0.00 H new ATOM 0 HB2 GLU A 81 73.353 34.144 35.659 1.00 0.00 H new ATOM 0 HB3 GLU A 81 74.073 32.964 34.581 1.00 0.00 H new ATOM 0 HG2 GLU A 81 73.270 34.295 32.616 1.00 0.00 H new ATOM 0 HG3 GLU A 81 72.597 35.486 33.712 1.00 0.00 H new ATOM 1207 N PHE A 82 70.719 32.172 32.596 1.00 0.00 N ATOM 1208 CA PHE A 82 70.592 31.444 31.334 1.00 0.00 C ATOM 1209 C PHE A 82 71.511 32.089 30.279 1.00 0.00 C ATOM 1210 O PHE A 82 71.239 33.189 29.795 1.00 0.00 O ATOM 1211 CB PHE A 82 69.116 31.419 30.920 1.00 0.00 C ATOM 1212 CG PHE A 82 68.852 30.671 29.630 1.00 0.00 C ATOM 1213 CD1 PHE A 82 68.897 29.264 29.609 1.00 0.00 C ATOM 1214 CD2 PHE A 82 68.565 31.380 28.449 1.00 0.00 C ATOM 1215 CE1 PHE A 82 68.644 28.571 28.413 1.00 0.00 C ATOM 1216 CE2 PHE A 82 68.304 30.683 27.256 1.00 0.00 C ATOM 1217 CZ PHE A 82 68.342 29.278 27.238 1.00 0.00 C ATOM 0 H PHE A 82 69.919 32.759 32.832 1.00 0.00 H new ATOM 0 HA PHE A 82 70.914 30.408 31.440 1.00 0.00 H new ATOM 0 HB2 PHE A 82 68.533 30.962 31.719 1.00 0.00 H new ATOM 0 HB3 PHE A 82 68.762 32.444 30.813 1.00 0.00 H new ATOM 0 HD1 PHE A 82 69.126 28.717 30.512 1.00 0.00 H new ATOM 0 HD2 PHE A 82 68.545 32.460 28.459 1.00 0.00 H new ATOM 0 HE1 PHE A 82 68.682 27.492 28.398 1.00 0.00 H new ATOM 0 HE2 PHE A 82 68.074 31.228 26.352 1.00 0.00 H new ATOM 0 HZ PHE A 82 68.139 28.743 26.322 1.00 0.00 H new ATOM 1227 N LEU A 83 72.633 31.424 29.982 1.00 0.00 N ATOM 1228 CA LEU A 83 73.777 31.973 29.252 1.00 0.00 C ATOM 1229 C LEU A 83 74.353 30.953 28.258 1.00 0.00 C ATOM 1230 O LEU A 83 74.097 29.755 28.338 1.00 0.00 O ATOM 1231 CB LEU A 83 74.847 32.411 30.280 1.00 0.00 C ATOM 1232 CG LEU A 83 75.917 33.400 29.776 1.00 0.00 C ATOM 1233 CD1 LEU A 83 75.318 34.753 29.388 1.00 0.00 C ATOM 1234 CD2 LEU A 83 76.975 33.617 30.853 1.00 0.00 C ATOM 0 H LEU A 83 72.773 30.451 30.255 1.00 0.00 H new ATOM 0 HA LEU A 83 73.453 32.832 28.665 1.00 0.00 H new ATOM 0 HB2 LEU A 83 74.338 32.863 31.131 1.00 0.00 H new ATOM 0 HB3 LEU A 83 75.353 31.518 30.648 1.00 0.00 H new ATOM 0 HG LEU A 83 76.365 32.960 28.885 1.00 0.00 H new ATOM 0 HD11 LEU A 83 76.110 35.415 29.039 1.00 0.00 H new ATOM 0 HD12 LEU A 83 74.586 34.612 28.592 1.00 0.00 H new ATOM 0 HD13 LEU A 83 74.830 35.197 30.255 1.00 0.00 H new ATOM 0 HD21 LEU A 83 77.727 34.317 30.489 1.00 0.00 H new ATOM 0 HD22 LEU A 83 76.505 34.023 31.748 1.00 0.00 H new ATOM 0 HD23 LEU A 83 77.451 32.666 31.093 1.00 0.00 H new ATOM 1246 N ASN A 84 75.173 31.451 27.331 1.00 0.00 N ATOM 1247 CA ASN A 84 75.859 30.741 26.239 1.00 0.00 C ATOM 1248 C ASN A 84 74.937 30.214 25.122 1.00 0.00 C ATOM 1249 O ASN A 84 75.413 29.775 24.076 1.00 0.00 O ATOM 1250 CB ASN A 84 76.840 29.700 26.787 1.00 0.00 C ATOM 1251 CG ASN A 84 77.614 30.124 27.993 1.00 0.00 C ATOM 1252 OD1 ASN A 84 78.563 30.889 27.960 1.00 0.00 O ATOM 1253 ND2 ASN A 84 77.223 29.577 29.108 1.00 0.00 N ATOM 0 H ASN A 84 75.396 32.446 27.320 1.00 0.00 H new ATOM 0 HA ASN A 84 76.450 31.493 25.716 1.00 0.00 H new ATOM 0 HB2 ASN A 84 76.284 28.795 27.032 1.00 0.00 H new ATOM 0 HB3 ASN A 84 77.544 29.438 25.997 1.00 0.00 H new ATOM 0 HD21 ASN A 84 77.713 29.786 29.978 1.00 0.00 H new ATOM 0 HD22 ASN A 84 76.426 28.940 29.112 1.00 0.00 H new ATOM 1260 N ASP A 85 73.627 30.375 25.319 1.00 0.00 N ATOM 1261 CA ASP A 85 72.545 30.133 24.354 1.00 0.00 C ATOM 1262 C ASP A 85 72.279 31.346 23.441 1.00 0.00 C ATOM 1263 O ASP A 85 71.739 31.203 22.343 1.00 0.00 O ATOM 1264 CB ASP A 85 71.277 29.749 25.139 1.00 0.00 C ATOM 1265 CG ASP A 85 70.083 29.459 24.224 1.00 0.00 C ATOM 1266 OD1 ASP A 85 70.087 28.417 23.526 1.00 0.00 O ATOM 1267 OD2 ASP A 85 69.149 30.283 24.140 1.00 0.00 O ATOM 0 H ASP A 85 73.266 30.700 26.216 1.00 0.00 H new ATOM 0 HA ASP A 85 72.845 29.322 23.691 1.00 0.00 H new ATOM 0 HB2 ASP A 85 71.484 28.870 25.749 1.00 0.00 H new ATOM 0 HB3 ASP A 85 71.018 30.558 25.822 1.00 0.00 H new ATOM 1272 N GLY A 86 72.696 32.541 23.874 1.00 0.00 N ATOM 1273 CA GLY A 86 72.398 33.829 23.259 1.00 0.00 C ATOM 1274 C GLY A 86 73.602 34.573 22.661 1.00 0.00 C ATOM 1275 O GLY A 86 73.918 35.666 23.137 1.00 0.00 O ATOM 0 H GLY A 86 73.280 32.635 24.705 1.00 0.00 H new ATOM 0 HA2 GLY A 86 71.662 33.673 22.471 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.933 34.470 24.008 1.00 0.00 H new ATOM 1279 N PRO A 87 74.271 34.048 21.611 1.00 0.00 N ATOM 1280 CA PRO A 87 75.196 34.835 20.795 1.00 0.00 C ATOM 1281 C PRO A 87 74.450 35.724 19.780 1.00 0.00 C ATOM 1282 O PRO A 87 74.985 36.734 19.331 1.00 0.00 O ATOM 1283 CB PRO A 87 76.085 33.790 20.117 1.00 0.00 C ATOM 1284 CG PRO A 87 75.144 32.606 19.902 1.00 0.00 C ATOM 1285 CD PRO A 87 74.198 32.682 21.103 1.00 0.00 C ATOM 0 HA PRO A 87 75.780 35.538 21.389 1.00 0.00 H new ATOM 0 HB2 PRO A 87 76.489 34.158 19.174 1.00 0.00 H new ATOM 0 HB3 PRO A 87 76.935 33.519 20.743 1.00 0.00 H new ATOM 0 HG2 PRO A 87 74.604 32.688 18.959 1.00 0.00 H new ATOM 0 HG3 PRO A 87 75.687 31.661 19.877 1.00 0.00 H new ATOM 0 HD2 PRO A 87 73.179 32.433 20.808 1.00 0.00 H new ATOM 0 HD3 PRO A 87 74.491 31.967 21.872 1.00 0.00 H new ATOM 1293 N LYS A 88 73.208 35.354 19.429 1.00 0.00 N ATOM 1294 CA LYS A 88 72.312 36.044 18.504 1.00 0.00 C ATOM 1295 C LYS A 88 71.389 37.023 19.232 1.00 0.00 C ATOM 1296 O LYS A 88 71.758 38.183 19.425 1.00 0.00 O ATOM 1297 CB LYS A 88 71.620 35.024 17.582 1.00 0.00 C ATOM 1298 CG LYS A 88 72.636 34.325 16.670 1.00 0.00 C ATOM 1299 CD LYS A 88 72.003 33.362 15.662 1.00 0.00 C ATOM 1300 CE LYS A 88 71.104 34.115 14.677 1.00 0.00 C ATOM 1301 NZ LYS A 88 70.916 33.360 13.418 1.00 0.00 N ATOM 0 H LYS A 88 72.781 34.510 19.811 1.00 0.00 H new ATOM 0 HA LYS A 88 72.885 36.690 17.839 1.00 0.00 H new ATOM 0 HB2 LYS A 88 71.096 34.282 18.184 1.00 0.00 H new ATOM 0 HB3 LYS A 88 70.869 35.529 16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 88 73.204 35.081 16.128 1.00 0.00 H new ATOM 0 HG3 LYS A 88 73.346 33.775 17.288 1.00 0.00 H new ATOM 0 HD2 LYS A 88 72.785 32.834 15.116 1.00 0.00 H new ATOM 0 HD3 LYS A 88 71.419 32.608 16.190 1.00 0.00 H new ATOM 0 HE2 LYS A 88 70.134 34.300 15.138 1.00 0.00 H new ATOM 0 HE3 LYS A 88 71.542 35.088 14.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 70.302 33.902 12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 71.839 33.205 12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 70.475 32.442 13.626 1.00 0.00 H new ATOM 1315 N ARG A 89 70.218 36.553 19.678 1.00 0.00 N ATOM 1316 CA ARG A 89 69.304 37.288 20.560 1.00 0.00 C ATOM 1317 C ARG A 89 69.985 37.807 21.824 1.00 0.00 C ATOM 1318 O ARG A 89 70.956 37.232 22.312 1.00 0.00 O ATOM 1319 CB ARG A 89 68.087 36.449 20.936 1.00 0.00 C ATOM 1320 CG ARG A 89 67.034 36.439 19.854 1.00 0.00 C ATOM 1321 CD ARG A 89 67.270 35.484 18.681 1.00 0.00 C ATOM 1322 NE ARG A 89 66.086 35.400 17.797 1.00 0.00 N ATOM 1323 CZ ARG A 89 66.052 34.873 16.584 1.00 0.00 C ATOM 1324 NH1 ARG A 89 67.053 34.259 16.038 1.00 0.00 N ATOM 1325 NH2 ARG A 89 65.001 34.958 15.823 1.00 0.00 N ATOM 0 H ARG A 89 69.871 35.627 19.429 1.00 0.00 H new ATOM 0 HA ARG A 89 68.974 38.153 19.984 1.00 0.00 H new ATOM 0 HB2 ARG A 89 68.404 35.426 21.139 1.00 0.00 H new ATOM 0 HB3 ARG A 89 67.653 36.837 21.857 1.00 0.00 H new ATOM 0 HG2 ARG A 89 66.077 36.188 20.311 1.00 0.00 H new ATOM 0 HG3 ARG A 89 66.942 37.450 19.458 1.00 0.00 H new ATOM 0 HD2 ARG A 89 68.131 35.821 18.105 1.00 0.00 H new ATOM 0 HD3 ARG A 89 67.511 34.492 19.062 1.00 0.00 H new ATOM 0 HE ARG A 89 65.213 35.785 18.157 1.00 0.00 H new ATOM 0 HH11 ARG A 89 67.931 34.161 16.548 1.00 0.00 H new ATOM 0 HH12 ARG A 89 66.964 33.874 15.098 1.00 0.00 H new ATOM 0 HH21 ARG A 89 64.168 35.443 16.156 1.00 0.00 H new ATOM 0 HH22 ARG A 89 65.010 34.540 14.893 1.00 0.00 H new ATOM 1339 N GLY A 90 69.412 38.894 22.327 1.00 0.00 N ATOM 1340 CA GLY A 90 69.914 39.718 23.417 1.00 0.00 C ATOM 1341 C GLY A 90 69.085 39.703 24.693 1.00 0.00 C ATOM 1342 O GLY A 90 69.392 40.414 25.650 1.00 0.00 O ATOM 0 H GLY A 90 68.527 39.245 21.960 1.00 0.00 H new ATOM 0 HA2 GLY A 90 70.925 39.391 23.659 1.00 0.00 H new ATOM 0 HA3 GLY A 90 69.987 40.747 23.066 1.00 0.00 H new ATOM 1346 N GLN A 91 68.033 38.890 24.702 1.00 0.00 N ATOM 1347 CA GLN A 91 67.272 38.527 25.877 1.00 0.00 C ATOM 1348 C GLN A 91 68.160 37.755 26.865 1.00 0.00 C ATOM 1349 O GLN A 91 69.080 37.042 26.472 1.00 0.00 O ATOM 1350 CB GLN A 91 66.067 37.688 25.444 1.00 0.00 C ATOM 1351 CG GLN A 91 65.053 38.456 24.588 1.00 0.00 C ATOM 1352 CD GLN A 91 64.110 37.513 23.853 1.00 0.00 C ATOM 1353 OE1 GLN A 91 64.418 37.027 22.777 1.00 0.00 O ATOM 1354 NE2 GLN A 91 62.957 37.192 24.401 1.00 0.00 N ATOM 0 H GLN A 91 67.679 38.452 23.852 1.00 0.00 H new ATOM 0 HA GLN A 91 66.916 39.424 26.384 1.00 0.00 H new ATOM 0 HB2 GLN A 91 66.421 36.823 24.883 1.00 0.00 H new ATOM 0 HB3 GLN A 91 65.563 37.307 26.332 1.00 0.00 H new ATOM 0 HG2 GLN A 91 64.475 39.127 25.223 1.00 0.00 H new ATOM 0 HG3 GLN A 91 65.583 39.077 23.866 1.00 0.00 H new ATOM 0 HE21 GLN A 91 62.691 37.593 25.300 1.00 0.00 H new ATOM 0 HE22 GLN A 91 62.330 36.542 23.926 1.00 0.00 H new ATOM 1363 N SER A 92 67.863 37.879 28.152 1.00 0.00 N ATOM 1364 CA SER A 92 68.604 37.293 29.257 1.00 0.00 C ATOM 1365 C SER A 92 67.614 37.057 30.387 1.00 0.00 C ATOM 1366 O SER A 92 66.922 37.968 30.839 1.00 0.00 O ATOM 1367 CB SER A 92 69.761 38.200 29.714 1.00 0.00 C ATOM 1368 OG SER A 92 69.355 39.532 29.980 1.00 0.00 O ATOM 0 H SER A 92 67.057 38.419 28.467 1.00 0.00 H new ATOM 0 HA SER A 92 69.062 36.355 28.943 1.00 0.00 H new ATOM 0 HB2 SER A 92 70.212 37.778 30.612 1.00 0.00 H new ATOM 0 HB3 SER A 92 70.533 38.209 28.944 1.00 0.00 H new ATOM 0 HG SER A 92 69.472 39.726 30.933 1.00 0.00 H new ATOM 1374 N ARG A 93 67.511 35.803 30.818 1.00 0.00 N ATOM 1375 CA ARG A 93 66.801 35.424 32.047 1.00 0.00 C ATOM 1376 C ARG A 93 67.799 35.064 33.141 1.00 0.00 C ATOM 1377 O ARG A 93 68.432 34.009 33.109 1.00 0.00 O ATOM 1378 CB ARG A 93 65.770 34.310 31.814 1.00 0.00 C ATOM 1379 CG ARG A 93 64.714 34.681 30.758 1.00 0.00 C ATOM 1380 CD ARG A 93 63.576 33.647 30.686 1.00 0.00 C ATOM 1381 NE ARG A 93 62.559 33.834 31.742 1.00 0.00 N ATOM 1382 CZ ARG A 93 61.578 34.721 31.753 1.00 0.00 C ATOM 1383 NH1 ARG A 93 61.405 35.603 30.814 1.00 0.00 N ATOM 1384 NH2 ARG A 93 60.730 34.731 32.731 1.00 0.00 N ATOM 0 H ARG A 93 67.920 35.010 30.323 1.00 0.00 H new ATOM 0 HA ARG A 93 66.227 36.289 32.379 1.00 0.00 H new ATOM 0 HB2 ARG A 93 66.287 33.403 31.500 1.00 0.00 H new ATOM 0 HB3 ARG A 93 65.270 34.082 32.755 1.00 0.00 H new ATOM 0 HG2 ARG A 93 64.298 35.661 30.991 1.00 0.00 H new ATOM 0 HG3 ARG A 93 65.192 34.762 29.782 1.00 0.00 H new ATOM 0 HD2 ARG A 93 63.095 33.712 29.710 1.00 0.00 H new ATOM 0 HD3 ARG A 93 63.997 32.645 30.768 1.00 0.00 H new ATOM 0 HE ARG A 93 62.620 33.213 32.549 1.00 0.00 H new ATOM 0 HH11 ARG A 93 62.043 35.633 30.019 1.00 0.00 H new ATOM 0 HH12 ARG A 93 60.631 36.265 30.872 1.00 0.00 H new ATOM 0 HH21 ARG A 93 60.819 34.056 33.490 1.00 0.00 H new ATOM 0 HH22 ARG A 93 59.972 35.414 32.742 1.00 0.00 H new ATOM 1398 N PHE A 94 67.893 35.947 34.121 1.00 0.00 N ATOM 1399 CA PHE A 94 68.553 35.723 35.398 1.00 0.00 C ATOM 1400 C PHE A 94 67.461 35.349 36.412 1.00 0.00 C ATOM 1401 O PHE A 94 66.425 36.013 36.511 1.00 0.00 O ATOM 1402 CB PHE A 94 69.364 36.976 35.768 1.00 0.00 C ATOM 1403 CG PHE A 94 70.623 36.722 36.580 1.00 0.00 C ATOM 1404 CD1 PHE A 94 70.556 36.091 37.837 1.00 0.00 C ATOM 1405 CD2 PHE A 94 71.877 37.113 36.070 1.00 0.00 C ATOM 1406 CE1 PHE A 94 71.728 35.857 38.576 1.00 0.00 C ATOM 1407 CE2 PHE A 94 73.050 36.880 36.809 1.00 0.00 C ATOM 1408 CZ PHE A 94 72.974 36.260 38.068 1.00 0.00 C ATOM 0 H PHE A 94 67.493 36.882 34.045 1.00 0.00 H new ATOM 0 HA PHE A 94 69.272 34.904 35.372 1.00 0.00 H new ATOM 0 HB2 PHE A 94 69.643 37.492 34.849 1.00 0.00 H new ATOM 0 HB3 PHE A 94 68.720 37.652 36.330 1.00 0.00 H new ATOM 0 HD1 PHE A 94 69.600 35.786 38.235 1.00 0.00 H new ATOM 0 HD2 PHE A 94 71.937 37.595 35.105 1.00 0.00 H new ATOM 0 HE1 PHE A 94 71.671 35.366 39.536 1.00 0.00 H new ATOM 0 HE2 PHE A 94 74.008 37.177 36.410 1.00 0.00 H new ATOM 0 HZ PHE A 94 73.872 36.094 38.644 1.00 0.00 H new ATOM 1418 N CYS A 95 67.641 34.227 37.098 1.00 0.00 N ATOM 1419 CA CYS A 95 66.635 33.610 37.958 1.00 0.00 C ATOM 1420 C CYS A 95 67.234 33.240 39.328 1.00 0.00 C ATOM 1421 O CYS A 95 68.455 33.227 39.492 1.00 0.00 O ATOM 1422 CB CYS A 95 66.035 32.405 37.219 1.00 0.00 C ATOM 1423 SG CYS A 95 64.449 31.931 37.970 1.00 0.00 S ATOM 0 H CYS A 95 68.517 33.705 37.071 1.00 0.00 H new ATOM 0 HA CYS A 95 65.831 34.315 38.170 1.00 0.00 H new ATOM 0 HB2 CYS A 95 65.888 32.651 36.167 1.00 0.00 H new ATOM 0 HB3 CYS A 95 66.728 31.565 37.256 1.00 0.00 H new ATOM 0 HG CYS A 95 63.954 30.912 37.332 1.00 0.00 H new ATOM 1429 N ILE A 96 66.399 32.979 40.336 1.00 0.00 N ATOM 1430 CA ILE A 96 66.828 32.971 41.741 1.00 0.00 C ATOM 1431 C ILE A 96 65.998 32.006 42.594 1.00 0.00 C ATOM 1432 O ILE A 96 64.888 31.617 42.238 1.00 0.00 O ATOM 1433 CB ILE A 96 66.731 34.432 42.253 1.00 0.00 C ATOM 1434 CG1 ILE A 96 67.894 34.928 43.129 1.00 0.00 C ATOM 1435 CG2 ILE A 96 65.351 34.824 42.818 1.00 0.00 C ATOM 1436 CD1 ILE A 96 67.851 34.556 44.605 1.00 0.00 C ATOM 0 H ILE A 96 65.410 32.768 40.205 1.00 0.00 H new ATOM 0 HA ILE A 96 67.853 32.608 41.821 1.00 0.00 H new ATOM 0 HB ILE A 96 66.848 34.991 41.325 1.00 0.00 H new ATOM 0 HG12 ILE A 96 68.823 34.543 42.709 1.00 0.00 H new ATOM 0 HG13 ILE A 96 67.936 36.015 43.054 1.00 0.00 H new ATOM 0 HG21 ILE A 96 65.376 35.861 43.152 1.00 0.00 H new ATOM 0 HG22 ILE A 96 64.594 34.711 42.042 1.00 0.00 H new ATOM 0 HG23 ILE A 96 65.106 34.177 43.661 1.00 0.00 H new ATOM 0 HD11 ILE A 96 68.726 34.966 45.109 1.00 0.00 H new ATOM 0 HD12 ILE A 96 66.947 34.965 45.057 1.00 0.00 H new ATOM 0 HD13 ILE A 96 67.849 33.471 44.707 1.00 0.00 H new ATOM 1448 N PHE A 97 66.536 31.687 43.762 1.00 0.00 N ATOM 1449 CA PHE A 97 65.936 30.899 44.833 1.00 0.00 C ATOM 1450 C PHE A 97 65.528 31.781 46.023 1.00 0.00 C ATOM 1451 O PHE A 97 66.374 32.470 46.594 1.00 0.00 O ATOM 1452 CB PHE A 97 66.989 29.882 45.262 1.00 0.00 C ATOM 1453 CG PHE A 97 67.447 28.936 44.159 1.00 0.00 C ATOM 1454 CD1 PHE A 97 66.510 28.234 43.372 1.00 0.00 C ATOM 1455 CD2 PHE A 97 68.820 28.811 43.868 1.00 0.00 C ATOM 1456 CE1 PHE A 97 66.941 27.434 42.297 1.00 0.00 C ATOM 1457 CE2 PHE A 97 69.252 27.998 42.805 1.00 0.00 C ATOM 1458 CZ PHE A 97 68.313 27.317 42.011 1.00 0.00 C ATOM 0 H PHE A 97 67.477 31.996 44.006 1.00 0.00 H new ATOM 0 HA PHE A 97 65.026 30.412 44.483 1.00 0.00 H new ATOM 0 HB2 PHE A 97 67.857 30.418 45.646 1.00 0.00 H new ATOM 0 HB3 PHE A 97 66.589 29.291 46.086 1.00 0.00 H new ATOM 0 HD1 PHE A 97 65.456 28.311 43.596 1.00 0.00 H new ATOM 0 HD2 PHE A 97 69.545 29.343 44.465 1.00 0.00 H new ATOM 0 HE1 PHE A 97 66.217 26.909 41.691 1.00 0.00 H new ATOM 0 HE2 PHE A 97 70.307 27.897 42.598 1.00 0.00 H new ATOM 0 HZ PHE A 97 68.644 26.706 41.184 1.00 0.00 H new ATOM 1468 N SER A 98 64.262 31.726 46.449 1.00 0.00 N ATOM 1469 CA SER A 98 63.710 32.641 47.471 1.00 0.00 C ATOM 1470 C SER A 98 64.398 32.615 48.840 1.00 0.00 C ATOM 1471 O SER A 98 64.347 33.606 49.558 1.00 0.00 O ATOM 1472 CB SER A 98 62.223 32.382 47.683 1.00 0.00 C ATOM 1473 OG SER A 98 61.965 31.065 48.124 1.00 0.00 O ATOM 0 H SER A 98 63.585 31.048 46.099 1.00 0.00 H new ATOM 0 HA SER A 98 63.898 33.630 47.052 1.00 0.00 H new ATOM 0 HB2 SER A 98 61.834 33.090 48.414 1.00 0.00 H new ATOM 0 HB3 SER A 98 61.689 32.561 46.750 1.00 0.00 H new ATOM 0 HG SER A 98 61.000 30.945 48.248 1.00 0.00 H new ATOM 1479 N SER A 99 65.052 31.509 49.195 1.00 0.00 N ATOM 1480 CA SER A 99 65.807 31.372 50.455 1.00 0.00 C ATOM 1481 C SER A 99 67.291 31.798 50.358 1.00 0.00 C ATOM 1482 O SER A 99 67.968 31.946 51.375 1.00 0.00 O ATOM 1483 CB SER A 99 65.627 29.961 51.017 1.00 0.00 C ATOM 1484 OG SER A 99 65.947 29.932 52.397 1.00 0.00 O ATOM 0 H SER A 99 65.077 30.671 48.615 1.00 0.00 H new ATOM 0 HA SER A 99 65.383 32.085 51.162 1.00 0.00 H new ATOM 0 HB2 SER A 99 64.598 29.633 50.869 1.00 0.00 H new ATOM 0 HB3 SER A 99 66.265 29.263 50.475 1.00 0.00 H new ATOM 0 HG SER A 99 66.635 30.603 52.587 1.00 0.00 H new ATOM 1490 N SER A 100 67.832 32.015 49.153 1.00 0.00 N ATOM 1491 CA SER A 100 69.246 32.310 48.911 1.00 0.00 C ATOM 1492 C SER A 100 69.630 33.778 49.153 1.00 0.00 C ATOM 1493 O SER A 100 70.802 34.111 49.331 1.00 0.00 O ATOM 1494 CB SER A 100 69.526 31.911 47.479 1.00 0.00 C ATOM 1495 OG SER A 100 70.899 31.690 47.298 1.00 0.00 O ATOM 0 H SER A 100 67.280 31.989 48.296 1.00 0.00 H new ATOM 0 HA SER A 100 69.852 31.750 49.624 1.00 0.00 H new ATOM 0 HB2 SER A 100 68.969 31.008 47.230 1.00 0.00 H new ATOM 0 HB3 SER A 100 69.184 32.694 46.802 1.00 0.00 H new ATOM 0 HG SER A 100 71.034 31.043 46.574 1.00 0.00 H new ATOM 1501 N LEU A 101 68.630 34.659 49.174 1.00 0.00 N ATOM 1502 CA LEU A 101 68.715 36.055 49.625 1.00 0.00 C ATOM 1503 C LEU A 101 67.410 36.582 50.233 1.00 0.00 C ATOM 1504 O LEU A 101 66.382 35.914 50.166 1.00 0.00 O ATOM 1505 CB LEU A 101 69.183 36.932 48.463 1.00 0.00 C ATOM 1506 CG LEU A 101 68.281 36.969 47.206 1.00 0.00 C ATOM 1507 CD1 LEU A 101 67.045 37.868 47.311 1.00 0.00 C ATOM 1508 CD2 LEU A 101 69.079 37.475 46.005 1.00 0.00 C ATOM 0 H LEU A 101 67.691 34.410 48.862 1.00 0.00 H new ATOM 0 HA LEU A 101 69.444 36.095 50.435 1.00 0.00 H new ATOM 0 HB2 LEU A 101 69.294 37.952 48.831 1.00 0.00 H new ATOM 0 HB3 LEU A 101 70.174 36.593 48.160 1.00 0.00 H new ATOM 0 HG LEU A 101 67.938 35.940 47.097 1.00 0.00 H new ATOM 0 HD11 LEU A 101 66.482 37.823 46.379 1.00 0.00 H new ATOM 0 HD12 LEU A 101 66.415 37.526 48.132 1.00 0.00 H new ATOM 0 HD13 LEU A 101 67.357 38.896 47.497 1.00 0.00 H new ATOM 0 HD21 LEU A 101 68.437 37.498 45.125 1.00 0.00 H new ATOM 0 HD22 LEU A 101 69.448 38.480 46.211 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.922 36.809 45.822 1.00 0.00 H new ATOM 1520 N LYS A 102 67.431 37.809 50.773 1.00 0.00 N ATOM 1521 CA LYS A 102 66.251 38.536 51.242 1.00 0.00 C ATOM 1522 C LYS A 102 65.959 39.793 50.418 1.00 0.00 C ATOM 1523 O LYS A 102 66.836 40.355 49.763 1.00 0.00 O ATOM 1524 CB LYS A 102 66.372 38.890 52.727 1.00 0.00 C ATOM 1525 CG LYS A 102 67.412 38.121 53.563 1.00 0.00 C ATOM 1526 CD LYS A 102 67.380 38.533 55.039 1.00 0.00 C ATOM 1527 CE LYS A 102 66.048 38.163 55.709 1.00 0.00 C ATOM 1528 NZ LYS A 102 66.089 38.409 57.166 1.00 0.00 N ATOM 0 H LYS A 102 68.296 38.335 50.897 1.00 0.00 H new ATOM 0 HA LYS A 102 65.406 37.861 51.107 1.00 0.00 H new ATOM 0 HB2 LYS A 102 66.602 39.953 52.801 1.00 0.00 H new ATOM 0 HB3 LYS A 102 65.395 38.742 53.188 1.00 0.00 H new ATOM 0 HG2 LYS A 102 67.223 37.051 53.481 1.00 0.00 H new ATOM 0 HG3 LYS A 102 68.408 38.301 53.158 1.00 0.00 H new ATOM 0 HD2 LYS A 102 68.200 38.048 55.569 1.00 0.00 H new ATOM 0 HD3 LYS A 102 67.540 39.608 55.119 1.00 0.00 H new ATOM 0 HE2 LYS A 102 65.241 38.745 55.263 1.00 0.00 H new ATOM 0 HE3 LYS A 102 65.825 37.113 55.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 65.175 38.149 57.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 66.843 37.835 57.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 66.278 39.416 57.343 1.00 0.00 H new ATOM 1542 N PHE A 103 64.732 40.287 50.548 1.00 0.00 N ATOM 1543 CA PHE A 103 64.283 41.585 50.080 1.00 0.00 C ATOM 1544 C PHE A 103 63.843 42.414 51.291 1.00 0.00 C ATOM 1545 O PHE A 103 63.102 41.930 52.145 1.00 0.00 O ATOM 1546 CB PHE A 103 63.145 41.377 49.079 1.00 0.00 C ATOM 1547 CG PHE A 103 62.819 42.588 48.224 1.00 0.00 C ATOM 1548 CD1 PHE A 103 63.660 42.933 47.147 1.00 0.00 C ATOM 1549 CD2 PHE A 103 61.663 43.352 48.475 1.00 0.00 C ATOM 1550 CE1 PHE A 103 63.351 44.034 46.328 1.00 0.00 C ATOM 1551 CE2 PHE A 103 61.344 44.445 47.646 1.00 0.00 C ATOM 1552 CZ PHE A 103 62.189 44.786 46.576 1.00 0.00 C ATOM 0 H PHE A 103 63.988 39.762 51.007 1.00 0.00 H new ATOM 0 HA PHE A 103 65.081 42.126 49.573 1.00 0.00 H new ATOM 0 HB2 PHE A 103 63.405 40.546 48.423 1.00 0.00 H new ATOM 0 HB3 PHE A 103 62.249 41.084 49.625 1.00 0.00 H new ATOM 0 HD1 PHE A 103 64.547 42.349 46.949 1.00 0.00 H new ATOM 0 HD2 PHE A 103 61.020 43.099 49.305 1.00 0.00 H new ATOM 0 HE1 PHE A 103 64.005 44.301 45.511 1.00 0.00 H new ATOM 0 HE2 PHE A 103 60.450 45.021 47.833 1.00 0.00 H new ATOM 0 HZ PHE A 103 61.946 45.627 45.943 1.00 0.00 H new ATOM 1562 N VAL A 104 64.319 43.652 51.362 1.00 0.00 N ATOM 1563 CA VAL A 104 63.926 44.671 52.344 1.00 0.00 C ATOM 1564 C VAL A 104 63.086 45.766 51.660 1.00 0.00 C ATOM 1565 O VAL A 104 63.627 46.579 50.904 1.00 0.00 O ATOM 1566 CB VAL A 104 65.140 45.191 53.142 1.00 0.00 C ATOM 1567 CG1 VAL A 104 66.221 45.920 52.332 1.00 0.00 C ATOM 1568 CG2 VAL A 104 64.686 46.093 54.296 1.00 0.00 C ATOM 0 H VAL A 104 65.023 43.994 50.708 1.00 0.00 H new ATOM 0 HA VAL A 104 63.281 44.222 53.099 1.00 0.00 H new ATOM 0 HB VAL A 104 65.615 44.281 53.508 1.00 0.00 H new ATOM 0 HG11 VAL A 104 67.022 46.239 52.999 1.00 0.00 H new ATOM 0 HG12 VAL A 104 66.625 45.247 51.575 1.00 0.00 H new ATOM 0 HG13 VAL A 104 65.785 46.793 51.846 1.00 0.00 H new ATOM 0 HG21 VAL A 104 65.558 46.448 54.845 1.00 0.00 H new ATOM 0 HG22 VAL A 104 64.136 46.946 53.897 1.00 0.00 H new ATOM 0 HG23 VAL A 104 64.040 45.527 54.968 1.00 0.00 H new ATOM 1578 N PRO A 105 61.753 45.778 51.844 1.00 0.00 N ATOM 1579 CA PRO A 105 60.874 46.671 51.095 1.00 0.00 C ATOM 1580 C PRO A 105 60.632 48.027 51.779 1.00 0.00 C ATOM 1581 O PRO A 105 60.890 48.211 52.971 1.00 0.00 O ATOM 1582 CB PRO A 105 59.570 45.883 50.946 1.00 0.00 C ATOM 1583 CG PRO A 105 59.494 45.134 52.274 1.00 0.00 C ATOM 1584 CD PRO A 105 60.957 44.781 52.552 1.00 0.00 C ATOM 0 HA PRO A 105 61.325 46.942 50.141 1.00 0.00 H new ATOM 0 HB2 PRO A 105 58.712 46.539 50.799 1.00 0.00 H new ATOM 0 HB3 PRO A 105 59.600 45.202 50.095 1.00 0.00 H new ATOM 0 HG2 PRO A 105 59.071 45.754 53.064 1.00 0.00 H new ATOM 0 HG3 PRO A 105 58.870 44.243 52.200 1.00 0.00 H new ATOM 0 HD2 PRO A 105 61.167 44.802 53.621 1.00 0.00 H new ATOM 0 HD3 PRO A 105 61.189 43.775 52.201 1.00 0.00 H new ATOM 1592 N LYS A 106 60.075 48.975 51.018 1.00 0.00 N ATOM 1593 CA LYS A 106 59.349 50.134 51.519 1.00 0.00 C ATOM 1594 C LYS A 106 58.029 49.773 52.218 1.00 0.00 C ATOM 1595 O LYS A 106 57.621 48.619 52.302 1.00 0.00 O ATOM 1596 CB LYS A 106 59.131 51.145 50.390 1.00 0.00 C ATOM 1597 CG LYS A 106 59.912 52.460 50.534 1.00 0.00 C ATOM 1598 CD LYS A 106 61.422 52.208 50.432 1.00 0.00 C ATOM 1599 CE LYS A 106 62.196 53.499 50.145 1.00 0.00 C ATOM 1600 NZ LYS A 106 62.515 54.280 51.362 1.00 0.00 N ATOM 0 H LYS A 106 60.122 48.950 49.999 1.00 0.00 H new ATOM 0 HA LYS A 106 59.969 50.590 52.291 1.00 0.00 H new ATOM 0 HB2 LYS A 106 59.408 50.677 49.445 1.00 0.00 H new ATOM 0 HB3 LYS A 106 58.068 51.377 50.331 1.00 0.00 H new ATOM 0 HG2 LYS A 106 59.602 53.160 49.758 1.00 0.00 H new ATOM 0 HG3 LYS A 106 59.680 52.924 51.493 1.00 0.00 H new ATOM 0 HD2 LYS A 106 61.781 51.768 51.363 1.00 0.00 H new ATOM 0 HD3 LYS A 106 61.617 51.484 49.641 1.00 0.00 H new ATOM 0 HE2 LYS A 106 63.123 53.250 49.629 1.00 0.00 H new ATOM 0 HE3 LYS A 106 61.611 54.121 49.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 63.038 55.139 51.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 61.633 54.547 51.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 63.098 53.703 52.001 1.00 0.00 H new