USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 581 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 33 ASN : amide:sc= -0.692 K(o=-1.1,f=-2.7!) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.45 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 143:sc= -0.102 (180deg=-1.14) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 175:sc= -0.689 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 57 CYS SG : rot -100:sc= -1.19 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.776 X(o=-0.78,f=-0.36) USER MOD Single : A 66 SER OG : rot 65:sc= 0.551 USER MOD Single : A 74 THR OG1 : rot 81:sc= 1.14 USER MOD Single : A 79 THR OG1 : rot -69:sc= 2.56 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.506 USER MOD Single : A 87 MET CE :methyl 141:sc= -0.209 (180deg=-2.5!) USER MOD Single : A 96 MET CE :methyl 172:sc= -0.569 (180deg=-0.841) USER MOD ----------------------------------------------------------------- ATOM 298 N ALA A 25 45.963 1.639 26.842 1.00 65.11 N ATOM 299 CA ALA A 25 45.314 2.847 26.348 1.00 63.22 C ATOM 300 C ALA A 25 43.796 2.704 26.374 1.00 43.12 C ATOM 301 O ALA A 25 43.268 1.598 26.495 1.00 64.25 O ATOM 302 CB ALA A 25 45.793 3.164 24.939 1.00 55.33 C ATOM 0 HA ALA A 25 45.586 3.672 27.006 1.00 63.22 H new ATOM 0 HB1 ALA A 25 45.300 4.068 24.582 1.00 55.33 H new ATOM 0 HB2 ALA A 25 46.872 3.318 24.948 1.00 55.33 H new ATOM 0 HB3 ALA A 25 45.550 2.333 24.277 1.00 55.33 H new ATOM 308 N LEU A 26 43.099 3.829 26.261 1.00 41.24 N ATOM 309 CA LEU A 26 41.640 3.830 26.272 1.00 63.32 C ATOM 310 C LEU A 26 41.087 4.552 25.048 1.00 73.03 C ATOM 311 O LEU A 26 41.532 5.648 24.707 1.00 75.05 O ATOM 312 CB LEU A 26 41.121 4.493 27.548 1.00 13.52 C ATOM 313 CG LEU A 26 41.611 3.891 28.865 1.00 12.14 C ATOM 314 CD1 LEU A 26 42.847 4.625 29.360 1.00 24.04 C ATOM 315 CD2 LEU A 26 40.509 3.932 29.914 1.00 55.44 C ATOM 0 H LEU A 26 43.520 4.752 26.161 1.00 41.24 H new ATOM 0 HA LEU A 26 41.300 2.795 26.244 1.00 63.32 H new ATOM 0 HB2 LEU A 26 41.402 5.546 27.526 1.00 13.52 H new ATOM 0 HB3 LEU A 26 40.032 4.453 27.537 1.00 13.52 H new ATOM 0 HG LEU A 26 41.878 2.849 28.688 1.00 12.14 H new ATOM 0 HD11 LEU A 26 43.181 4.183 30.298 1.00 24.04 H new ATOM 0 HD12 LEU A 26 43.641 4.543 28.617 1.00 24.04 H new ATOM 0 HD13 LEU A 26 42.606 5.676 29.520 1.00 24.04 H new ATOM 0 HD21 LEU A 26 40.876 3.499 30.845 1.00 55.44 H new ATOM 0 HD22 LEU A 26 40.210 4.966 30.088 1.00 55.44 H new ATOM 0 HD23 LEU A 26 39.650 3.360 29.562 1.00 55.44 H new ATOM 327 N VAL A 27 40.112 3.931 24.391 1.00 14.13 N ATOM 328 CA VAL A 27 39.494 4.516 23.207 1.00 43.00 C ATOM 329 C VAL A 27 37.978 4.363 23.245 1.00 31.51 C ATOM 330 O VAL A 27 37.460 3.294 23.568 1.00 10.02 O ATOM 331 CB VAL A 27 40.032 3.870 21.916 1.00 4.05 C ATOM 332 CG1 VAL A 27 38.956 3.846 20.842 1.00 31.22 C ATOM 333 CG2 VAL A 27 41.269 4.609 21.427 1.00 20.51 C ATOM 0 H VAL A 27 39.733 3.023 24.659 1.00 14.13 H new ATOM 0 HA VAL A 27 39.749 5.576 23.208 1.00 43.00 H new ATOM 0 HB VAL A 27 40.314 2.840 22.136 1.00 4.05 H new ATOM 0 HG11 VAL A 27 39.355 3.386 19.938 1.00 31.22 H new ATOM 0 HG12 VAL A 27 38.101 3.269 21.196 1.00 31.22 H new ATOM 0 HG13 VAL A 27 38.639 4.865 20.621 1.00 31.22 H new ATOM 0 HG21 VAL A 27 41.636 4.140 20.514 1.00 20.51 H new ATOM 0 HG22 VAL A 27 41.015 5.649 21.223 1.00 20.51 H new ATOM 0 HG23 VAL A 27 42.044 4.568 22.193 1.00 20.51 H new ATOM 343 N ALA A 28 37.271 5.438 22.912 1.00 23.23 N ATOM 344 CA ALA A 28 35.814 5.422 22.906 1.00 52.12 C ATOM 345 C ALA A 28 35.275 5.013 21.539 1.00 23.21 C ATOM 346 O ALA A 28 35.724 5.514 20.508 1.00 10.22 O ATOM 347 CB ALA A 28 35.270 6.786 23.303 1.00 54.54 C ATOM 0 H ALA A 28 37.684 6.331 22.643 1.00 23.23 H new ATOM 0 HA ALA A 28 35.480 4.683 23.635 1.00 52.12 H new ATOM 0 HB1 ALA A 28 34.180 6.760 23.294 1.00 54.54 H new ATOM 0 HB2 ALA A 28 35.619 7.040 24.304 1.00 54.54 H new ATOM 0 HB3 ALA A 28 35.620 7.537 22.595 1.00 54.54 H new ATOM 353 N VAL A 29 34.311 4.098 21.538 1.00 71.10 N ATOM 354 CA VAL A 29 33.711 3.621 20.298 1.00 52.24 C ATOM 355 C VAL A 29 32.229 3.975 20.232 1.00 4.43 C ATOM 356 O VAL A 29 31.514 3.887 21.230 1.00 12.52 O ATOM 357 CB VAL A 29 33.870 2.097 20.147 1.00 60.33 C ATOM 358 CG1 VAL A 29 33.259 1.623 18.837 1.00 61.12 C ATOM 359 CG2 VAL A 29 35.337 1.703 20.233 1.00 10.53 C ATOM 0 H VAL A 29 33.929 3.672 22.382 1.00 71.10 H new ATOM 0 HA VAL A 29 34.237 4.116 19.482 1.00 52.24 H new ATOM 0 HB VAL A 29 33.338 1.611 20.965 1.00 60.33 H new ATOM 0 HG11 VAL A 29 33.381 0.544 18.748 1.00 61.12 H new ATOM 0 HG12 VAL A 29 32.198 1.871 18.820 1.00 61.12 H new ATOM 0 HG13 VAL A 29 33.760 2.115 18.003 1.00 61.12 H new ATOM 0 HG21 VAL A 29 35.431 0.622 20.124 1.00 10.53 H new ATOM 0 HG22 VAL A 29 35.894 2.197 19.437 1.00 10.53 H new ATOM 0 HG23 VAL A 29 35.739 2.007 21.200 1.00 10.53 H new ATOM 369 N LYS A 30 31.774 4.376 19.050 1.00 2.10 N ATOM 370 CA LYS A 30 30.377 4.743 18.852 1.00 70.42 C ATOM 371 C LYS A 30 29.768 3.959 17.693 1.00 20.25 C ATOM 372 O LYS A 30 30.103 4.189 16.531 1.00 33.23 O ATOM 373 CB LYS A 30 30.255 6.245 18.585 1.00 21.40 C ATOM 374 CG LYS A 30 28.823 6.714 18.394 1.00 3.22 C ATOM 375 CD LYS A 30 28.759 8.206 18.110 1.00 71.51 C ATOM 376 CE LYS A 30 28.531 8.482 16.632 1.00 74.33 C ATOM 377 NZ LYS A 30 28.529 9.941 16.334 1.00 70.22 N ATOM 0 H LYS A 30 32.353 4.455 18.214 1.00 2.10 H new ATOM 0 HA LYS A 30 29.830 4.497 19.762 1.00 70.42 H new ATOM 0 HB2 LYS A 30 30.699 6.791 19.417 1.00 21.40 H new ATOM 0 HB3 LYS A 30 30.832 6.495 17.695 1.00 21.40 H new ATOM 0 HG2 LYS A 30 28.366 6.166 17.570 1.00 3.22 H new ATOM 0 HG3 LYS A 30 28.242 6.487 19.288 1.00 3.22 H new ATOM 0 HD2 LYS A 30 27.955 8.654 18.693 1.00 71.51 H new ATOM 0 HD3 LYS A 30 29.687 8.679 18.431 1.00 71.51 H new ATOM 0 HE2 LYS A 30 29.310 7.993 16.047 1.00 74.33 H new ATOM 0 HE3 LYS A 30 27.580 8.047 16.324 1.00 74.33 H new ATOM 0 HZ1 LYS A 30 28.371 10.087 15.317 1.00 70.22 H new ATOM 0 HZ2 LYS A 30 27.770 10.404 16.873 1.00 70.22 H new ATOM 0 HZ3 LYS A 30 29.445 10.352 16.604 1.00 70.22 H new ATOM 391 N VAL A 31 28.871 3.033 18.018 1.00 0.00 N ATOM 392 CA VAL A 31 28.213 2.217 17.004 1.00 3.23 C ATOM 393 C VAL A 31 26.885 2.833 16.580 1.00 33.03 C ATOM 394 O VAL A 31 26.002 3.061 17.407 1.00 35.42 O ATOM 395 CB VAL A 31 27.964 0.785 17.512 1.00 71.52 C ATOM 396 CG1 VAL A 31 27.168 0.808 18.808 1.00 74.04 C ATOM 397 CG2 VAL A 31 27.248 -0.039 16.452 1.00 44.15 C ATOM 0 H VAL A 31 28.583 2.829 18.975 1.00 0.00 H new ATOM 0 HA VAL A 31 28.882 2.178 16.145 1.00 3.23 H new ATOM 0 HB VAL A 31 28.928 0.318 17.714 1.00 71.52 H new ATOM 0 HG11 VAL A 31 27.002 -0.213 19.151 1.00 74.04 H new ATOM 0 HG12 VAL A 31 27.723 1.360 19.566 1.00 74.04 H new ATOM 0 HG13 VAL A 31 26.207 1.294 18.636 1.00 74.04 H new ATOM 0 HG21 VAL A 31 27.080 -1.048 16.828 1.00 44.15 H new ATOM 0 HG22 VAL A 31 26.290 0.425 16.216 1.00 44.15 H new ATOM 0 HG23 VAL A 31 27.860 -0.084 15.551 1.00 44.15 H new ATOM 407 N VAL A 32 26.749 3.100 15.285 1.00 1.53 N ATOM 408 CA VAL A 32 25.527 3.689 14.750 1.00 21.30 C ATOM 409 C VAL A 32 24.841 2.738 13.775 1.00 10.42 C ATOM 410 O VAL A 32 25.485 1.885 13.167 1.00 4.11 O ATOM 411 CB VAL A 32 25.813 5.022 14.034 1.00 11.44 C ATOM 412 CG1 VAL A 32 26.544 5.980 14.962 1.00 4.43 C ATOM 413 CG2 VAL A 32 26.613 4.784 12.763 1.00 60.51 C ATOM 0 H VAL A 32 27.470 2.918 14.587 1.00 1.53 H new ATOM 0 HA VAL A 32 24.867 3.875 15.598 1.00 21.30 H new ATOM 0 HB VAL A 32 24.862 5.476 13.757 1.00 11.44 H new ATOM 0 HG11 VAL A 32 26.738 6.917 14.439 1.00 4.43 H new ATOM 0 HG12 VAL A 32 25.929 6.175 15.841 1.00 4.43 H new ATOM 0 HG13 VAL A 32 27.490 5.535 15.272 1.00 4.43 H new ATOM 0 HG21 VAL A 32 26.806 5.737 12.270 1.00 60.51 H new ATOM 0 HG22 VAL A 32 27.561 4.307 13.013 1.00 60.51 H new ATOM 0 HG23 VAL A 32 26.047 4.137 12.093 1.00 60.51 H new ATOM 423 N ASN A 33 23.529 2.893 13.631 1.00 12.03 N ATOM 424 CA ASN A 33 22.754 2.048 12.730 1.00 50.23 C ATOM 425 C ASN A 33 21.956 2.894 11.743 1.00 52.54 C ATOM 426 O ASN A 33 21.603 4.037 12.033 1.00 42.34 O ATOM 427 CB ASN A 33 21.809 1.148 13.527 1.00 33.44 C ATOM 428 CG ASN A 33 22.544 0.040 14.257 1.00 0.25 C ATOM 429 OD1 ASN A 33 23.611 0.261 14.831 1.00 51.34 O ATOM 430 ND2 ASN A 33 21.975 -1.160 14.239 1.00 1.53 N ATOM 0 H ASN A 33 22.980 3.596 14.127 1.00 12.03 H new ATOM 0 HA ASN A 33 23.450 1.425 12.168 1.00 50.23 H new ATOM 0 HB2 ASN A 33 21.259 1.752 14.249 1.00 33.44 H new ATOM 0 HB3 ASN A 33 21.074 0.709 12.852 1.00 33.44 H new ATOM 0 HD21 ASN A 33 22.423 -1.944 14.713 1.00 1.53 H new ATOM 0 HD22 ASN A 33 21.090 -1.298 13.751 1.00 1.53 H new ATOM 437 N ALA A 34 21.674 2.324 10.576 1.00 51.54 N ATOM 438 CA ALA A 34 20.915 3.025 9.547 1.00 63.12 C ATOM 439 C ALA A 34 19.521 3.391 10.046 1.00 65.43 C ATOM 440 O ALA A 34 18.893 4.319 9.536 1.00 23.24 O ATOM 441 CB ALA A 34 20.821 2.174 8.289 1.00 23.20 C ATOM 0 H ALA A 34 21.960 1.379 10.319 1.00 51.54 H new ATOM 0 HA ALA A 34 21.441 3.949 9.309 1.00 63.12 H new ATOM 0 HB1 ALA A 34 20.252 2.709 7.529 1.00 23.20 H new ATOM 0 HB2 ALA A 34 21.823 1.968 7.913 1.00 23.20 H new ATOM 0 HB3 ALA A 34 20.320 1.234 8.522 1.00 23.20 H new ATOM 447 N ASP A 35 19.044 2.655 11.043 1.00 14.14 N ATOM 448 CA ASP A 35 17.724 2.903 11.612 1.00 75.55 C ATOM 449 C ASP A 35 17.775 4.035 12.632 1.00 54.52 C ATOM 450 O ASP A 35 16.773 4.703 12.884 1.00 15.01 O ATOM 451 CB ASP A 35 17.181 1.632 12.268 1.00 2.23 C ATOM 452 CG ASP A 35 17.238 0.433 11.343 1.00 32.40 C ATOM 453 OD1 ASP A 35 18.267 -0.275 11.352 1.00 53.35 O ATOM 454 OD2 ASP A 35 16.253 0.202 10.610 1.00 64.44 O ATOM 0 H ASP A 35 19.551 1.882 11.474 1.00 14.14 H new ATOM 0 HA ASP A 35 17.057 3.198 10.802 1.00 75.55 H new ATOM 0 HB2 ASP A 35 17.755 1.419 13.170 1.00 2.23 H new ATOM 0 HB3 ASP A 35 16.150 1.799 12.578 1.00 2.23 H new ATOM 459 N GLY A 36 18.950 4.246 13.217 1.00 60.11 N ATOM 460 CA GLY A 36 19.110 5.298 14.204 1.00 74.21 C ATOM 461 C GLY A 36 19.702 4.789 15.503 1.00 61.31 C ATOM 462 O GLY A 36 20.488 5.482 16.148 1.00 62.20 O ATOM 0 H GLY A 36 19.794 3.707 13.025 1.00 60.11 H new ATOM 0 HA2 GLY A 36 19.752 6.079 13.797 1.00 74.21 H new ATOM 0 HA3 GLY A 36 18.141 5.755 14.404 1.00 74.21 H new ATOM 466 N ALA A 37 19.323 3.575 15.889 1.00 61.23 N ATOM 467 CA ALA A 37 19.823 2.974 17.119 1.00 34.41 C ATOM 468 C ALA A 37 21.346 3.023 17.175 1.00 14.15 C ATOM 469 O ALA A 37 22.025 2.482 16.304 1.00 24.55 O ATOM 470 CB ALA A 37 19.334 1.538 17.241 1.00 64.31 C ATOM 0 H ALA A 37 18.671 2.989 15.367 1.00 61.23 H new ATOM 0 HA ALA A 37 19.437 3.551 17.959 1.00 34.41 H new ATOM 0 HB1 ALA A 37 19.715 1.101 18.164 1.00 64.31 H new ATOM 0 HB2 ALA A 37 18.244 1.525 17.256 1.00 64.31 H new ATOM 0 HB3 ALA A 37 19.692 0.958 16.390 1.00 64.31 H new ATOM 476 N GLU A 38 21.874 3.677 18.205 1.00 23.34 N ATOM 477 CA GLU A 38 23.318 3.797 18.373 1.00 53.41 C ATOM 478 C GLU A 38 23.691 3.851 19.852 1.00 42.34 C ATOM 479 O GLU A 38 22.840 4.085 20.709 1.00 3.42 O ATOM 480 CB GLU A 38 23.833 5.049 17.659 1.00 24.15 C ATOM 481 CG GLU A 38 23.291 6.346 18.236 1.00 35.42 C ATOM 482 CD GLU A 38 23.301 7.481 17.231 1.00 62.20 C ATOM 483 OE1 GLU A 38 22.853 7.263 16.086 1.00 35.30 O ATOM 484 OE2 GLU A 38 23.758 8.586 17.589 1.00 42.54 O ATOM 0 H GLU A 38 21.325 4.131 18.935 1.00 23.34 H new ATOM 0 HA GLU A 38 23.785 2.917 17.931 1.00 53.41 H new ATOM 0 HB2 GLU A 38 24.922 5.065 17.712 1.00 24.15 H new ATOM 0 HB3 GLU A 38 23.566 4.991 16.604 1.00 24.15 H new ATOM 0 HG2 GLU A 38 22.272 6.185 18.587 1.00 35.42 H new ATOM 0 HG3 GLU A 38 23.886 6.629 19.104 1.00 35.42 H new ATOM 491 N MET A 39 24.970 3.632 20.141 1.00 14.22 N ATOM 492 CA MET A 39 25.456 3.656 21.516 1.00 43.33 C ATOM 493 C MET A 39 26.971 3.828 21.553 1.00 45.40 C ATOM 494 O MET A 39 27.688 3.297 20.704 1.00 34.33 O ATOM 495 CB MET A 39 25.059 2.370 22.243 1.00 64.04 C ATOM 496 CG MET A 39 25.718 1.123 21.675 1.00 4.31 C ATOM 497 SD MET A 39 25.478 -0.326 22.720 1.00 73.42 S ATOM 498 CE MET A 39 27.139 -0.575 23.342 1.00 13.44 C ATOM 0 H MET A 39 25.687 3.436 19.443 1.00 14.22 H new ATOM 0 HA MET A 39 24.999 4.506 22.022 1.00 43.33 H new ATOM 0 HB2 MET A 39 25.322 2.462 23.297 1.00 64.04 H new ATOM 0 HB3 MET A 39 23.976 2.254 22.193 1.00 64.04 H new ATOM 0 HG2 MET A 39 25.313 0.922 20.683 1.00 4.31 H new ATOM 0 HG3 MET A 39 26.786 1.305 21.552 1.00 4.31 H new ATOM 0 HE1 MET A 39 27.093 -0.908 24.379 1.00 13.44 H new ATOM 0 HE2 MET A 39 27.643 -1.331 22.740 1.00 13.44 H new ATOM 0 HE3 MET A 39 27.693 0.362 23.286 1.00 13.44 H new ATOM 508 N PHE A 40 27.454 4.575 22.541 1.00 33.32 N ATOM 509 CA PHE A 40 28.884 4.818 22.688 1.00 60.31 C ATOM 510 C PHE A 40 29.379 4.346 24.052 1.00 72.10 C ATOM 511 O PHE A 40 28.642 4.378 25.038 1.00 54.15 O ATOM 512 CB PHE A 40 29.191 6.306 22.508 1.00 21.12 C ATOM 513 CG PHE A 40 28.328 7.202 23.350 1.00 24.12 C ATOM 514 CD1 PHE A 40 28.602 7.384 24.696 1.00 31.22 C ATOM 515 CD2 PHE A 40 27.243 7.862 22.796 1.00 65.34 C ATOM 516 CE1 PHE A 40 27.810 8.208 25.474 1.00 62.02 C ATOM 517 CE2 PHE A 40 26.449 8.687 23.568 1.00 14.31 C ATOM 518 CZ PHE A 40 26.732 8.860 24.909 1.00 35.30 C ATOM 0 H PHE A 40 26.875 5.023 23.252 1.00 33.32 H new ATOM 0 HA PHE A 40 29.405 4.251 21.916 1.00 60.31 H new ATOM 0 HB2 PHE A 40 30.237 6.485 22.755 1.00 21.12 H new ATOM 0 HB3 PHE A 40 29.061 6.571 21.459 1.00 21.12 H new ATOM 0 HD1 PHE A 40 29.444 6.876 25.143 1.00 31.22 H new ATOM 0 HD2 PHE A 40 27.016 7.730 21.749 1.00 65.34 H new ATOM 0 HE1 PHE A 40 28.034 8.341 26.522 1.00 62.02 H new ATOM 0 HE2 PHE A 40 25.607 9.197 23.123 1.00 14.31 H new ATOM 0 HZ PHE A 40 26.111 9.504 25.514 1.00 35.30 H new ATOM 528 N PHE A 41 30.632 3.907 24.101 1.00 43.13 N ATOM 529 CA PHE A 41 31.226 3.427 25.343 1.00 64.33 C ATOM 530 C PHE A 41 32.750 3.472 25.270 1.00 71.30 C ATOM 531 O PHE A 41 33.338 3.257 24.210 1.00 30.50 O ATOM 532 CB PHE A 41 30.761 1.999 25.637 1.00 54.20 C ATOM 533 CG PHE A 41 29.697 1.922 26.694 1.00 33.23 C ATOM 534 CD1 PHE A 41 29.971 2.293 28.001 1.00 65.42 C ATOM 535 CD2 PHE A 41 28.422 1.479 26.382 1.00 74.33 C ATOM 536 CE1 PHE A 41 28.994 2.221 28.976 1.00 44.54 C ATOM 537 CE2 PHE A 41 27.440 1.406 27.352 1.00 23.14 C ATOM 538 CZ PHE A 41 27.727 1.779 28.651 1.00 70.21 C ATOM 0 H PHE A 41 31.256 3.874 23.295 1.00 43.13 H new ATOM 0 HA PHE A 41 30.898 4.082 26.150 1.00 64.33 H new ATOM 0 HB2 PHE A 41 30.382 1.552 24.718 1.00 54.20 H new ATOM 0 HB3 PHE A 41 31.618 1.403 25.951 1.00 54.20 H new ATOM 0 HD1 PHE A 41 30.959 2.642 28.261 1.00 65.42 H new ATOM 0 HD2 PHE A 41 28.192 1.187 25.368 1.00 74.33 H new ATOM 0 HE1 PHE A 41 29.221 2.510 29.991 1.00 44.54 H new ATOM 0 HE2 PHE A 41 26.450 1.058 27.095 1.00 23.14 H new ATOM 0 HZ PHE A 41 26.962 1.725 29.411 1.00 70.21 H new ATOM 548 N ARG A 42 33.382 3.754 26.404 1.00 24.43 N ATOM 549 CA ARG A 42 34.837 3.829 26.470 1.00 51.13 C ATOM 550 C ARG A 42 35.435 2.477 26.848 1.00 11.20 C ATOM 551 O ARG A 42 35.165 1.948 27.927 1.00 74.15 O ATOM 552 CB ARG A 42 35.269 4.891 27.482 1.00 13.25 C ATOM 553 CG ARG A 42 35.971 6.083 26.853 1.00 54.31 C ATOM 554 CD ARG A 42 36.774 6.864 27.881 1.00 22.44 C ATOM 555 NE ARG A 42 37.171 8.178 27.384 1.00 61.15 N ATOM 556 CZ ARG A 42 38.013 8.982 28.022 1.00 4.24 C ATOM 557 NH1 ARG A 42 38.545 8.608 29.178 1.00 71.00 N ATOM 558 NH2 ARG A 42 38.326 10.164 27.505 1.00 31.52 N ATOM 0 H ARG A 42 32.910 3.934 27.290 1.00 24.43 H new ATOM 0 HA ARG A 42 35.206 4.107 25.483 1.00 51.13 H new ATOM 0 HB2 ARG A 42 34.391 5.242 28.024 1.00 13.25 H new ATOM 0 HB3 ARG A 42 35.934 4.433 28.214 1.00 13.25 H new ATOM 0 HG2 ARG A 42 36.633 5.739 26.058 1.00 54.31 H new ATOM 0 HG3 ARG A 42 35.233 6.739 26.392 1.00 54.31 H new ATOM 0 HD2 ARG A 42 36.182 6.984 28.788 1.00 22.44 H new ATOM 0 HD3 ARG A 42 37.663 6.296 28.153 1.00 22.44 H new ATOM 0 HE ARG A 42 36.780 8.496 26.497 1.00 61.15 H new ATOM 0 HH11 ARG A 42 38.307 7.701 29.579 1.00 71.00 H new ATOM 0 HH12 ARG A 42 39.192 9.228 29.666 1.00 71.00 H new ATOM 0 HH21 ARG A 42 37.919 10.456 26.616 1.00 31.52 H new ATOM 0 HH22 ARG A 42 38.973 10.780 27.997 1.00 31.52 H new ATOM 572 N ILE A 43 36.247 1.924 25.954 1.00 45.52 N ATOM 573 CA ILE A 43 36.884 0.635 26.194 1.00 14.33 C ATOM 574 C ILE A 43 38.310 0.617 25.656 1.00 3.32 C ATOM 575 O ILE A 43 38.641 1.342 24.717 1.00 31.40 O ATOM 576 CB ILE A 43 36.088 -0.514 25.548 1.00 65.34 C ATOM 577 CG1 ILE A 43 34.617 -0.442 25.962 1.00 43.03 C ATOM 578 CG2 ILE A 43 36.688 -1.857 25.936 1.00 23.32 C ATOM 579 CD1 ILE A 43 34.383 -0.768 27.420 1.00 3.02 C ATOM 0 H ILE A 43 36.480 2.349 25.056 1.00 45.52 H new ATOM 0 HA ILE A 43 36.905 0.489 27.274 1.00 14.33 H new ATOM 0 HB ILE A 43 36.146 -0.411 24.464 1.00 65.34 H new ATOM 0 HG12 ILE A 43 34.239 0.559 25.757 1.00 43.03 H new ATOM 0 HG13 ILE A 43 34.041 -1.133 25.347 1.00 43.03 H new ATOM 0 HG21 ILE A 43 36.115 -2.659 25.472 1.00 23.32 H new ATOM 0 HG22 ILE A 43 37.722 -1.906 25.595 1.00 23.32 H new ATOM 0 HG23 ILE A 43 36.658 -1.970 27.020 1.00 23.32 H new ATOM 0 HD11 ILE A 43 33.318 -0.697 27.642 1.00 3.02 H new ATOM 0 HD12 ILE A 43 34.730 -1.780 27.627 1.00 3.02 H new ATOM 0 HD13 ILE A 43 34.932 -0.062 28.043 1.00 3.02 H new ATOM 591 N LYS A 44 39.153 -0.217 26.256 1.00 14.24 N ATOM 592 CA LYS A 44 40.544 -0.333 25.837 1.00 61.13 C ATOM 593 C LYS A 44 40.638 -0.692 24.357 1.00 50.50 C ATOM 594 O LYS A 44 39.953 -1.598 23.883 1.00 14.25 O ATOM 595 CB LYS A 44 41.265 -1.391 26.675 1.00 35.33 C ATOM 596 CG LYS A 44 41.540 -0.952 28.103 1.00 43.22 C ATOM 597 CD LYS A 44 43.030 -0.937 28.404 1.00 53.12 C ATOM 598 CE LYS A 44 43.495 -2.265 28.980 1.00 62.41 C ATOM 599 NZ LYS A 44 43.832 -3.246 27.911 1.00 41.10 N ATOM 0 H LYS A 44 38.896 -0.823 27.035 1.00 14.24 H new ATOM 0 HA LYS A 44 41.025 0.633 25.991 1.00 61.13 H new ATOM 0 HB2 LYS A 44 40.664 -2.300 26.693 1.00 35.33 H new ATOM 0 HB3 LYS A 44 42.210 -1.643 26.193 1.00 35.33 H new ATOM 0 HG2 LYS A 44 41.125 0.043 28.265 1.00 43.22 H new ATOM 0 HG3 LYS A 44 41.035 -1.625 28.795 1.00 43.22 H new ATOM 0 HD2 LYS A 44 43.585 -0.721 27.491 1.00 53.12 H new ATOM 0 HD3 LYS A 44 43.252 -0.136 29.109 1.00 53.12 H new ATOM 0 HE2 LYS A 44 44.369 -2.101 29.611 1.00 62.41 H new ATOM 0 HE3 LYS A 44 42.714 -2.678 29.618 1.00 62.41 H new ATOM 0 HZ1 LYS A 44 44.145 -4.138 28.345 1.00 41.10 H new ATOM 0 HZ2 LYS A 44 42.992 -3.422 27.324 1.00 41.10 H new ATOM 0 HZ3 LYS A 44 44.595 -2.864 27.317 1.00 41.10 H new ATOM 613 N SER A 45 41.492 0.024 23.632 1.00 13.42 N ATOM 614 CA SER A 45 41.673 -0.217 22.206 1.00 63.03 C ATOM 615 C SER A 45 42.040 -1.675 21.944 1.00 42.42 C ATOM 616 O SER A 45 41.675 -2.243 20.915 1.00 52.24 O ATOM 617 CB SER A 45 42.760 0.703 21.645 1.00 32.24 C ATOM 618 OG SER A 45 42.192 1.841 21.020 1.00 22.14 O ATOM 0 H SER A 45 42.069 0.776 24.009 1.00 13.42 H new ATOM 0 HA SER A 45 40.730 -0.001 21.704 1.00 63.03 H new ATOM 0 HB2 SER A 45 43.424 1.019 22.449 1.00 32.24 H new ATOM 0 HB3 SER A 45 43.369 0.155 20.926 1.00 32.24 H new ATOM 0 HG SER A 45 42.906 2.452 20.742 1.00 22.14 H new ATOM 624 N ARG A 46 42.765 -2.274 22.883 1.00 42.51 N ATOM 625 CA ARG A 46 43.183 -3.664 22.754 1.00 24.33 C ATOM 626 C ARG A 46 41.975 -4.584 22.607 1.00 53.15 C ATOM 627 O ARG A 46 42.083 -5.691 22.077 1.00 3.50 O ATOM 628 CB ARG A 46 44.012 -4.084 23.970 1.00 72.53 C ATOM 629 CG ARG A 46 45.367 -3.400 24.049 1.00 14.05 C ATOM 630 CD ARG A 46 46.206 -3.681 22.813 1.00 1.40 C ATOM 631 NE ARG A 46 47.555 -3.132 22.931 1.00 75.11 N ATOM 632 CZ ARG A 46 48.483 -3.631 23.739 1.00 32.15 C ATOM 633 NH1 ARG A 46 48.210 -4.685 24.497 1.00 40.41 N ATOM 634 NH2 ARG A 46 49.687 -3.077 23.791 1.00 1.40 N ATOM 0 H ARG A 46 43.075 -1.818 23.741 1.00 42.51 H new ATOM 0 HA ARG A 46 43.796 -3.751 21.857 1.00 24.33 H new ATOM 0 HB2 ARG A 46 43.449 -3.862 24.877 1.00 72.53 H new ATOM 0 HB3 ARG A 46 44.160 -5.164 23.943 1.00 72.53 H new ATOM 0 HG2 ARG A 46 45.227 -2.325 24.158 1.00 14.05 H new ATOM 0 HG3 ARG A 46 45.898 -3.744 24.936 1.00 14.05 H new ATOM 0 HD2 ARG A 46 46.265 -4.757 22.652 1.00 1.40 H new ATOM 0 HD3 ARG A 46 45.716 -3.254 21.938 1.00 1.40 H new ATOM 0 HE ARG A 46 47.797 -2.321 22.362 1.00 75.11 H new ATOM 0 HH11 ARG A 46 47.285 -5.114 24.460 1.00 40.41 H new ATOM 0 HH12 ARG A 46 48.925 -5.066 25.117 1.00 40.41 H new ATOM 0 HH21 ARG A 46 49.901 -2.267 23.210 1.00 1.40 H new ATOM 0 HH22 ARG A 46 50.399 -3.461 24.412 1.00 1.40 H new ATOM 648 N THR A 47 40.822 -4.119 23.079 1.00 43.12 N ATOM 649 CA THR A 47 39.594 -4.899 23.001 1.00 32.22 C ATOM 650 C THR A 47 38.366 -4.008 23.149 1.00 40.15 C ATOM 651 O THR A 47 37.786 -3.908 24.229 1.00 32.32 O ATOM 652 CB THR A 47 39.553 -5.993 24.085 1.00 5.33 C ATOM 653 OG1 THR A 47 40.273 -5.559 25.245 1.00 33.42 O ATOM 654 CG2 THR A 47 40.152 -7.291 23.567 1.00 65.33 C ATOM 0 H THR A 47 40.714 -3.205 23.519 1.00 43.12 H new ATOM 0 HA THR A 47 39.582 -5.370 22.018 1.00 32.22 H new ATOM 0 HB THR A 47 38.511 -6.173 24.350 1.00 5.33 H new ATOM 0 HG1 THR A 47 40.241 -6.259 25.930 1.00 33.42 H new ATOM 0 HG21 THR A 47 40.112 -8.048 24.350 1.00 65.33 H new ATOM 0 HG22 THR A 47 39.585 -7.634 22.702 1.00 65.33 H new ATOM 0 HG23 THR A 47 41.189 -7.123 23.278 1.00 65.33 H new ATOM 662 N ALA A 48 37.975 -3.362 22.055 1.00 52.10 N ATOM 663 CA ALA A 48 36.814 -2.481 22.062 1.00 13.24 C ATOM 664 C ALA A 48 35.785 -2.919 21.025 1.00 23.03 C ATOM 665 O ALA A 48 34.709 -3.409 21.371 1.00 2.52 O ATOM 666 CB ALA A 48 37.241 -1.043 21.810 1.00 51.51 C ATOM 0 H ALA A 48 38.446 -3.433 21.153 1.00 52.10 H new ATOM 0 HA ALA A 48 36.348 -2.543 23.046 1.00 13.24 H new ATOM 0 HB1 ALA A 48 36.364 -0.396 21.818 1.00 51.51 H new ATOM 0 HB2 ALA A 48 37.932 -0.727 22.591 1.00 51.51 H new ATOM 0 HB3 ALA A 48 37.734 -0.974 20.840 1.00 51.51 H new ATOM 672 N LEU A 49 36.122 -2.740 19.753 1.00 41.12 N ATOM 673 CA LEU A 49 35.227 -3.116 18.664 1.00 21.51 C ATOM 674 C LEU A 49 34.744 -4.554 18.829 1.00 13.31 C ATOM 675 O LEU A 49 33.631 -4.896 18.427 1.00 24.43 O ATOM 676 CB LEU A 49 35.934 -2.956 17.317 1.00 3.43 C ATOM 677 CG LEU A 49 35.223 -2.078 16.286 1.00 23.34 C ATOM 678 CD1 LEU A 49 33.760 -2.474 16.167 1.00 32.31 C ATOM 679 CD2 LEU A 49 35.351 -0.608 16.658 1.00 23.21 C ATOM 0 H LEU A 49 37.009 -2.337 19.450 1.00 41.12 H new ATOM 0 HA LEU A 49 34.361 -2.454 18.694 1.00 21.51 H new ATOM 0 HB2 LEU A 49 36.925 -2.540 17.497 1.00 3.43 H new ATOM 0 HB3 LEU A 49 36.077 -3.946 16.885 1.00 3.43 H new ATOM 0 HG LEU A 49 35.699 -2.230 15.317 1.00 23.34 H new ATOM 0 HD11 LEU A 49 33.270 -1.839 15.429 1.00 32.31 H new ATOM 0 HD12 LEU A 49 33.689 -3.516 15.853 1.00 32.31 H new ATOM 0 HD13 LEU A 49 33.270 -2.352 17.133 1.00 32.31 H new ATOM 0 HD21 LEU A 49 34.839 0.002 15.913 1.00 23.21 H new ATOM 0 HD22 LEU A 49 34.901 -0.440 17.636 1.00 23.21 H new ATOM 0 HD23 LEU A 49 36.405 -0.332 16.691 1.00 23.21 H new ATOM 691 N LYS A 50 35.586 -5.391 19.425 1.00 70.02 N ATOM 692 CA LYS A 50 35.245 -6.791 19.647 1.00 33.11 C ATOM 693 C LYS A 50 34.050 -6.917 20.586 1.00 35.24 C ATOM 694 O LYS A 50 33.100 -7.648 20.305 1.00 73.31 O ATOM 695 CB LYS A 50 36.444 -7.544 20.227 1.00 43.10 C ATOM 696 CG LYS A 50 37.641 -7.592 19.293 1.00 5.25 C ATOM 697 CD LYS A 50 37.366 -8.460 18.077 1.00 11.12 C ATOM 698 CE LYS A 50 37.902 -9.871 18.266 1.00 12.34 C ATOM 699 NZ LYS A 50 38.719 -10.314 17.103 1.00 23.13 N ATOM 0 H LYS A 50 36.510 -5.124 19.763 1.00 70.02 H new ATOM 0 HA LYS A 50 34.978 -7.231 18.686 1.00 33.11 H new ATOM 0 HB2 LYS A 50 36.742 -7.070 21.162 1.00 43.10 H new ATOM 0 HB3 LYS A 50 36.141 -8.563 20.468 1.00 43.10 H new ATOM 0 HG2 LYS A 50 37.892 -6.582 18.970 1.00 5.25 H new ATOM 0 HG3 LYS A 50 38.507 -7.980 19.830 1.00 5.25 H new ATOM 0 HD2 LYS A 50 36.293 -8.499 17.892 1.00 11.12 H new ATOM 0 HD3 LYS A 50 37.825 -8.010 17.196 1.00 11.12 H new ATOM 0 HE2 LYS A 50 38.507 -9.911 19.172 1.00 12.34 H new ATOM 0 HE3 LYS A 50 37.069 -10.560 18.408 1.00 12.34 H new ATOM 0 HZ1 LYS A 50 39.066 -11.280 17.270 1.00 23.13 H new ATOM 0 HZ2 LYS A 50 38.135 -10.300 16.243 1.00 23.13 H new ATOM 0 HZ3 LYS A 50 39.528 -9.672 16.982 1.00 23.13 H new ATOM 713 N LYS A 51 34.102 -6.199 21.703 1.00 21.11 N ATOM 714 CA LYS A 51 33.023 -6.228 22.683 1.00 1.13 C ATOM 715 C LYS A 51 31.797 -5.483 22.165 1.00 1.10 C ATOM 716 O LYS A 51 30.665 -5.797 22.535 1.00 51.22 O ATOM 717 CB LYS A 51 33.489 -5.609 24.003 1.00 32.12 C ATOM 718 CG LYS A 51 33.446 -6.574 25.176 1.00 51.32 C ATOM 719 CD LYS A 51 34.038 -5.953 26.430 1.00 33.22 C ATOM 720 CE LYS A 51 33.463 -6.585 27.689 1.00 62.01 C ATOM 721 NZ LYS A 51 33.839 -8.021 27.810 1.00 54.03 N ATOM 0 H LYS A 51 34.881 -5.589 21.952 1.00 21.11 H new ATOM 0 HA LYS A 51 32.748 -7.269 22.853 1.00 1.13 H new ATOM 0 HB2 LYS A 51 34.508 -5.242 23.883 1.00 32.12 H new ATOM 0 HB3 LYS A 51 32.864 -4.746 24.230 1.00 32.12 H new ATOM 0 HG2 LYS A 51 32.415 -6.870 25.367 1.00 51.32 H new ATOM 0 HG3 LYS A 51 33.996 -7.480 24.923 1.00 51.32 H new ATOM 0 HD2 LYS A 51 35.121 -6.076 26.422 1.00 33.22 H new ATOM 0 HD3 LYS A 51 33.839 -4.881 26.436 1.00 33.22 H new ATOM 0 HE2 LYS A 51 33.820 -6.041 28.564 1.00 62.01 H new ATOM 0 HE3 LYS A 51 32.377 -6.494 27.678 1.00 62.01 H new ATOM 0 HZ1 LYS A 51 33.428 -8.415 28.680 1.00 54.03 H new ATOM 0 HZ2 LYS A 51 33.477 -8.545 26.988 1.00 54.03 H new ATOM 0 HZ3 LYS A 51 34.875 -8.107 27.846 1.00 54.03 H new ATOM 735 N LEU A 52 32.029 -4.496 21.306 1.00 25.33 N ATOM 736 CA LEU A 52 30.943 -3.707 20.735 1.00 23.25 C ATOM 737 C LEU A 52 30.080 -4.558 19.809 1.00 24.23 C ATOM 738 O LEU A 52 28.859 -4.609 19.956 1.00 51.11 O ATOM 739 CB LEU A 52 31.506 -2.509 19.969 1.00 14.30 C ATOM 740 CG LEU A 52 31.563 -1.188 20.737 1.00 11.31 C ATOM 741 CD1 LEU A 52 30.164 -0.628 20.942 1.00 34.42 C ATOM 742 CD2 LEU A 52 32.264 -1.378 22.074 1.00 23.20 C ATOM 0 H LEU A 52 32.960 -4.223 20.990 1.00 25.33 H new ATOM 0 HA LEU A 52 30.319 -3.347 21.553 1.00 23.25 H new ATOM 0 HB2 LEU A 52 32.514 -2.757 19.637 1.00 14.30 H new ATOM 0 HB3 LEU A 52 30.903 -2.360 19.073 1.00 14.30 H new ATOM 0 HG LEU A 52 32.136 -0.472 20.147 1.00 11.31 H new ATOM 0 HD11 LEU A 52 30.225 0.312 21.490 1.00 34.42 H new ATOM 0 HD12 LEU A 52 29.696 -0.453 19.973 1.00 34.42 H new ATOM 0 HD13 LEU A 52 29.566 -1.341 21.510 1.00 34.42 H new ATOM 0 HD21 LEU A 52 32.295 -0.428 22.607 1.00 23.20 H new ATOM 0 HD22 LEU A 52 31.719 -2.110 22.670 1.00 23.20 H new ATOM 0 HD23 LEU A 52 33.281 -1.733 21.905 1.00 23.20 H new ATOM 754 N ILE A 53 30.724 -5.226 18.858 1.00 72.31 N ATOM 755 CA ILE A 53 30.015 -6.078 17.911 1.00 42.35 C ATOM 756 C ILE A 53 29.515 -7.351 18.584 1.00 70.45 C ATOM 757 O ILE A 53 28.473 -7.893 18.214 1.00 12.31 O ATOM 758 CB ILE A 53 30.911 -6.459 16.717 1.00 10.01 C ATOM 759 CG1 ILE A 53 30.160 -7.393 15.766 1.00 42.13 C ATOM 760 CG2 ILE A 53 32.195 -7.113 17.206 1.00 51.50 C ATOM 761 CD1 ILE A 53 30.839 -7.562 14.424 1.00 15.23 C ATOM 0 H ILE A 53 31.734 -5.194 18.723 1.00 72.31 H new ATOM 0 HA ILE A 53 29.163 -5.504 17.547 1.00 42.35 H new ATOM 0 HB ILE A 53 31.173 -5.551 16.173 1.00 10.01 H new ATOM 0 HG12 ILE A 53 30.055 -8.370 16.237 1.00 42.13 H new ATOM 0 HG13 ILE A 53 29.153 -7.006 15.609 1.00 42.13 H new ATOM 0 HG21 ILE A 53 32.818 -7.377 16.351 1.00 51.50 H new ATOM 0 HG22 ILE A 53 32.736 -6.418 17.848 1.00 51.50 H new ATOM 0 HG23 ILE A 53 31.953 -8.014 17.770 1.00 51.50 H new ATOM 0 HD11 ILE A 53 30.252 -8.237 13.801 1.00 15.23 H new ATOM 0 HD12 ILE A 53 30.920 -6.593 13.932 1.00 15.23 H new ATOM 0 HD13 ILE A 53 31.836 -7.979 14.570 1.00 15.23 H new ATOM 773 N ASP A 54 30.264 -7.824 19.574 1.00 53.30 N ATOM 774 CA ASP A 54 29.895 -9.033 20.302 1.00 41.54 C ATOM 775 C ASP A 54 28.701 -8.774 21.215 1.00 71.21 C ATOM 776 O ASP A 54 27.786 -9.594 21.307 1.00 44.10 O ATOM 777 CB ASP A 54 31.081 -9.540 21.123 1.00 30.34 C ATOM 778 CG ASP A 54 30.777 -10.845 21.834 1.00 52.51 C ATOM 779 OD1 ASP A 54 30.461 -11.837 21.144 1.00 1.21 O ATOM 780 OD2 ASP A 54 30.855 -10.873 23.080 1.00 63.33 O ATOM 0 H ASP A 54 31.130 -7.389 19.891 1.00 53.30 H new ATOM 0 HA ASP A 54 29.614 -9.795 19.575 1.00 41.54 H new ATOM 0 HB2 ASP A 54 31.941 -9.678 20.467 1.00 30.34 H new ATOM 0 HB3 ASP A 54 31.359 -8.785 21.858 1.00 30.34 H new ATOM 785 N THR A 55 28.716 -7.629 21.890 1.00 35.24 N ATOM 786 CA THR A 55 27.636 -7.264 22.798 1.00 13.53 C ATOM 787 C THR A 55 26.381 -6.866 22.029 1.00 62.32 C ATOM 788 O THR A 55 25.264 -7.185 22.436 1.00 20.44 O ATOM 789 CB THR A 55 28.047 -6.101 23.722 1.00 63.33 C ATOM 790 OG1 THR A 55 29.161 -6.491 24.533 1.00 41.02 O ATOM 791 CG2 THR A 55 26.888 -5.681 24.612 1.00 53.31 C ATOM 0 H THR A 55 29.464 -6.939 21.825 1.00 35.24 H new ATOM 0 HA THR A 55 27.424 -8.144 23.405 1.00 13.53 H new ATOM 0 HB THR A 55 28.331 -5.253 23.098 1.00 63.33 H new ATOM 0 HG1 THR A 55 29.959 -6.579 23.972 1.00 41.02 H new ATOM 0 HG21 THR A 55 27.202 -4.859 25.255 1.00 53.31 H new ATOM 0 HG22 THR A 55 26.052 -5.357 23.992 1.00 53.31 H new ATOM 0 HG23 THR A 55 26.578 -6.525 25.228 1.00 53.31 H new ATOM 799 N TYR A 56 26.572 -6.169 20.914 1.00 24.33 N ATOM 800 CA TYR A 56 25.455 -5.727 20.088 1.00 23.03 C ATOM 801 C TYR A 56 24.779 -6.912 19.406 1.00 23.41 C ATOM 802 O TYR A 56 23.555 -7.043 19.433 1.00 31.01 O ATOM 803 CB TYR A 56 25.936 -4.726 19.037 1.00 43.41 C ATOM 804 CG TYR A 56 24.834 -3.850 18.485 1.00 33.41 C ATOM 805 CD1 TYR A 56 23.826 -4.386 17.692 1.00 64.03 C ATOM 806 CD2 TYR A 56 24.799 -2.488 18.756 1.00 65.20 C ATOM 807 CE1 TYR A 56 22.817 -3.590 17.185 1.00 63.33 C ATOM 808 CE2 TYR A 56 23.793 -1.685 18.255 1.00 65.25 C ATOM 809 CZ TYR A 56 22.805 -2.241 17.469 1.00 11.23 C ATOM 810 OH TYR A 56 21.802 -1.444 16.967 1.00 51.04 O ATOM 0 H TYR A 56 27.490 -5.898 20.562 1.00 24.33 H new ATOM 0 HA TYR A 56 24.727 -5.241 20.737 1.00 23.03 H new ATOM 0 HB2 TYR A 56 26.706 -4.092 19.477 1.00 43.41 H new ATOM 0 HB3 TYR A 56 26.402 -5.270 18.215 1.00 43.41 H new ATOM 0 HD1 TYR A 56 23.832 -5.443 17.468 1.00 64.03 H new ATOM 0 HD2 TYR A 56 25.572 -2.049 19.369 1.00 65.20 H new ATOM 0 HE1 TYR A 56 22.042 -4.022 16.570 1.00 63.33 H new ATOM 0 HE2 TYR A 56 23.780 -0.628 18.477 1.00 65.25 H new ATOM 0 HH TYR A 56 21.941 -0.519 17.261 1.00 51.04 H new ATOM 820 N CYS A 57 25.586 -7.774 18.796 1.00 53.31 N ATOM 821 CA CYS A 57 25.067 -8.949 18.106 1.00 60.53 C ATOM 822 C CYS A 57 24.424 -9.919 19.092 1.00 70.22 C ATOM 823 O CYS A 57 23.335 -10.440 18.847 1.00 3.44 O ATOM 824 CB CYS A 57 26.188 -9.652 17.338 1.00 1.05 C ATOM 825 SG CYS A 57 26.704 -8.792 15.834 1.00 60.32 S ATOM 0 H CYS A 57 26.601 -7.681 18.766 1.00 53.31 H new ATOM 0 HA CYS A 57 24.305 -8.618 17.400 1.00 60.53 H new ATOM 0 HB2 CYS A 57 27.051 -9.762 17.995 1.00 1.05 H new ATOM 0 HB3 CYS A 57 25.858 -10.657 17.074 1.00 1.05 H new ATOM 0 HG CYS A 57 26.152 -9.356 14.801 1.00 60.32 H new ATOM 831 N LYS A 58 25.105 -10.159 20.207 1.00 63.30 N ATOM 832 CA LYS A 58 24.602 -11.067 21.231 1.00 0.12 C ATOM 833 C LYS A 58 23.320 -10.525 21.856 1.00 62.21 C ATOM 834 O LYS A 58 22.369 -11.271 22.093 1.00 44.31 O ATOM 835 CB LYS A 58 25.660 -11.281 22.316 1.00 33.12 C ATOM 836 CG LYS A 58 25.336 -12.422 23.265 1.00 73.44 C ATOM 837 CD LYS A 58 25.377 -11.971 24.715 1.00 74.01 C ATOM 838 CE LYS A 58 25.626 -13.140 25.656 1.00 41.14 C ATOM 839 NZ LYS A 58 27.017 -13.137 26.187 1.00 63.01 N ATOM 0 H LYS A 58 26.008 -9.737 20.425 1.00 63.30 H new ATOM 0 HA LYS A 58 24.379 -12.022 20.756 1.00 0.12 H new ATOM 0 HB2 LYS A 58 26.621 -11.477 21.841 1.00 33.12 H new ATOM 0 HB3 LYS A 58 25.770 -10.361 22.891 1.00 33.12 H new ATOM 0 HG2 LYS A 58 24.347 -12.818 23.034 1.00 73.44 H new ATOM 0 HG3 LYS A 58 26.048 -13.234 23.115 1.00 73.44 H new ATOM 0 HD2 LYS A 58 26.162 -11.226 24.843 1.00 74.01 H new ATOM 0 HD3 LYS A 58 24.434 -11.489 24.974 1.00 74.01 H new ATOM 0 HE2 LYS A 58 24.920 -13.095 26.486 1.00 41.14 H new ATOM 0 HE3 LYS A 58 25.440 -14.076 25.130 1.00 41.14 H new ATOM 0 HZ1 LYS A 58 27.147 -13.949 26.824 1.00 63.01 H new ATOM 0 HZ2 LYS A 58 27.690 -13.205 25.397 1.00 63.01 H new ATOM 0 HZ3 LYS A 58 27.187 -12.255 26.711 1.00 63.01 H new ATOM 853 N LYS A 59 23.300 -9.223 22.119 1.00 22.13 N ATOM 854 CA LYS A 59 22.134 -8.580 22.714 1.00 64.12 C ATOM 855 C LYS A 59 20.926 -8.682 21.788 1.00 0.54 C ATOM 856 O LYS A 59 19.829 -9.030 22.223 1.00 55.41 O ATOM 857 CB LYS A 59 22.436 -7.111 23.017 1.00 51.30 C ATOM 858 CG LYS A 59 21.298 -6.388 23.718 1.00 63.32 C ATOM 859 CD LYS A 59 21.811 -5.252 24.587 1.00 73.12 C ATOM 860 CE LYS A 59 20.824 -4.907 25.692 1.00 40.02 C ATOM 861 NZ LYS A 59 20.494 -3.455 25.708 1.00 45.25 N ATOM 0 H LYS A 59 24.078 -8.592 21.929 1.00 22.13 H new ATOM 0 HA LYS A 59 21.900 -9.096 23.645 1.00 64.12 H new ATOM 0 HB2 LYS A 59 23.330 -7.053 23.638 1.00 51.30 H new ATOM 0 HB3 LYS A 59 22.663 -6.595 22.084 1.00 51.30 H new ATOM 0 HG2 LYS A 59 20.604 -5.995 22.976 1.00 63.32 H new ATOM 0 HG3 LYS A 59 20.741 -7.095 24.333 1.00 63.32 H new ATOM 0 HD2 LYS A 59 22.768 -5.532 25.027 1.00 73.12 H new ATOM 0 HD3 LYS A 59 21.990 -4.372 23.969 1.00 73.12 H new ATOM 0 HE2 LYS A 59 19.910 -5.486 25.556 1.00 40.02 H new ATOM 0 HE3 LYS A 59 21.243 -5.195 26.656 1.00 40.02 H new ATOM 0 HZ1 LYS A 59 19.819 -3.261 26.475 1.00 45.25 H new ATOM 0 HZ2 LYS A 59 21.362 -2.903 25.863 1.00 45.25 H new ATOM 0 HZ3 LYS A 59 20.070 -3.185 24.797 1.00 45.25 H new ATOM 875 N GLN A 60 21.137 -8.377 20.512 1.00 54.30 N ATOM 876 CA GLN A 60 20.064 -8.435 19.526 1.00 12.12 C ATOM 877 C GLN A 60 19.552 -9.862 19.362 1.00 32.14 C ATOM 878 O GLN A 60 18.449 -10.083 18.863 1.00 23.34 O ATOM 879 CB GLN A 60 20.551 -7.897 18.179 1.00 35.34 C ATOM 880 CG GLN A 60 19.449 -7.777 17.138 1.00 2.25 C ATOM 881 CD GLN A 60 19.909 -7.064 15.882 1.00 10.32 C ATOM 882 OE1 GLN A 60 20.442 -7.684 14.962 1.00 22.30 O ATOM 883 NE2 GLN A 60 19.704 -5.752 15.837 1.00 64.40 N ATOM 0 H GLN A 60 22.040 -8.087 20.137 1.00 54.30 H new ATOM 0 HA GLN A 60 19.243 -7.813 19.882 1.00 12.12 H new ATOM 0 HB2 GLN A 60 21.004 -6.917 18.331 1.00 35.34 H new ATOM 0 HB3 GLN A 60 21.332 -8.554 17.796 1.00 35.34 H new ATOM 0 HG2 GLN A 60 19.092 -8.773 16.876 1.00 2.25 H new ATOM 0 HG3 GLN A 60 18.605 -7.239 17.568 1.00 2.25 H new ATOM 0 HE21 GLN A 60 19.258 -5.278 16.623 1.00 64.40 H new ATOM 0 HE22 GLN A 60 19.992 -5.219 15.017 1.00 64.40 H new ATOM 892 N GLY A 61 20.361 -10.828 19.786 1.00 20.41 N ATOM 893 CA GLY A 61 19.972 -12.222 19.677 1.00 24.40 C ATOM 894 C GLY A 61 20.295 -12.809 18.317 1.00 34.42 C ATOM 895 O GLY A 61 19.668 -13.778 17.888 1.00 72.51 O ATOM 0 H GLY A 61 21.278 -10.670 20.203 1.00 20.41 H new ATOM 0 HA2 GLY A 61 20.481 -12.800 20.449 1.00 24.40 H new ATOM 0 HA3 GLY A 61 18.902 -12.313 19.864 1.00 24.40 H new ATOM 899 N ILE A 62 21.273 -12.221 17.637 1.00 32.02 N ATOM 900 CA ILE A 62 21.676 -12.692 16.318 1.00 51.20 C ATOM 901 C ILE A 62 23.186 -12.892 16.243 1.00 12.13 C ATOM 902 O ILE A 62 23.953 -12.139 16.844 1.00 35.43 O ATOM 903 CB ILE A 62 21.244 -11.709 15.213 1.00 24.14 C ATOM 904 CG1 ILE A 62 19.839 -11.175 15.497 1.00 51.34 C ATOM 905 CG2 ILE A 62 21.295 -12.387 13.852 1.00 1.32 C ATOM 906 CD1 ILE A 62 18.787 -12.258 15.583 1.00 13.01 C ATOM 0 H ILE A 62 21.801 -11.418 17.978 1.00 32.02 H new ATOM 0 HA ILE A 62 21.177 -13.648 16.158 1.00 51.20 H new ATOM 0 HB ILE A 62 21.937 -10.867 15.204 1.00 24.14 H new ATOM 0 HG12 ILE A 62 19.853 -10.618 16.434 1.00 51.34 H new ATOM 0 HG13 ILE A 62 19.561 -10.471 14.712 1.00 51.34 H new ATOM 0 HG21 ILE A 62 20.987 -11.680 13.082 1.00 1.32 H new ATOM 0 HG22 ILE A 62 22.312 -12.723 13.651 1.00 1.32 H new ATOM 0 HG23 ILE A 62 20.622 -13.245 13.847 1.00 1.32 H new ATOM 0 HD11 ILE A 62 17.816 -11.807 15.786 1.00 13.01 H new ATOM 0 HD12 ILE A 62 18.745 -12.800 14.638 1.00 13.01 H new ATOM 0 HD13 ILE A 62 19.041 -12.949 16.387 1.00 13.01 H new ATOM 918 N SER A 63 23.606 -13.911 15.500 1.00 2.51 N ATOM 919 CA SER A 63 25.025 -14.211 15.348 1.00 71.32 C ATOM 920 C SER A 63 25.776 -13.013 14.775 1.00 11.03 C ATOM 921 O SER A 63 25.169 -12.020 14.374 1.00 12.13 O ATOM 922 CB SER A 63 25.215 -15.428 14.440 1.00 24.01 C ATOM 923 OG SER A 63 25.699 -16.540 15.173 1.00 63.21 O ATOM 0 H SER A 63 22.985 -14.542 14.994 1.00 2.51 H new ATOM 0 HA SER A 63 25.432 -14.434 16.334 1.00 71.32 H new ATOM 0 HB2 SER A 63 24.267 -15.685 13.967 1.00 24.01 H new ATOM 0 HB3 SER A 63 25.914 -15.183 13.640 1.00 24.01 H new ATOM 0 HG SER A 63 25.810 -17.305 14.571 1.00 63.21 H new ATOM 929 N ARG A 64 27.101 -13.114 14.741 1.00 74.31 N ATOM 930 CA ARG A 64 27.936 -12.039 14.219 1.00 33.22 C ATOM 931 C ARG A 64 28.108 -12.169 12.709 1.00 53.35 C ATOM 932 O ARG A 64 29.226 -12.147 12.197 1.00 24.22 O ATOM 933 CB ARG A 64 29.305 -12.051 14.902 1.00 53.01 C ATOM 934 CG ARG A 64 29.955 -10.680 14.986 1.00 42.21 C ATOM 935 CD ARG A 64 31.179 -10.698 15.888 1.00 20.12 C ATOM 936 NE ARG A 64 32.074 -11.809 15.574 1.00 11.22 N ATOM 937 CZ ARG A 64 32.848 -11.846 14.496 1.00 64.23 C ATOM 938 NH1 ARG A 64 32.838 -10.840 13.633 1.00 51.34 N ATOM 939 NH2 ARG A 64 33.636 -12.892 14.279 1.00 41.20 N ATOM 0 H ARG A 64 27.619 -13.929 15.069 1.00 74.31 H new ATOM 0 HA ARG A 64 27.440 -11.092 14.431 1.00 33.22 H new ATOM 0 HB2 ARG A 64 29.196 -12.454 15.909 1.00 53.01 H new ATOM 0 HB3 ARG A 64 29.967 -12.725 14.358 1.00 53.01 H new ATOM 0 HG2 ARG A 64 30.242 -10.351 13.987 1.00 42.21 H new ATOM 0 HG3 ARG A 64 29.233 -9.956 15.365 1.00 42.21 H new ATOM 0 HD2 ARG A 64 31.719 -9.757 15.785 1.00 20.12 H new ATOM 0 HD3 ARG A 64 30.862 -10.771 16.928 1.00 20.12 H new ATOM 0 HE ARG A 64 32.106 -12.599 16.218 1.00 11.22 H new ATOM 0 HH11 ARG A 64 32.234 -10.034 13.796 1.00 51.34 H new ATOM 0 HH12 ARG A 64 33.434 -10.872 12.806 1.00 51.34 H new ATOM 0 HH21 ARG A 64 33.647 -13.668 14.941 1.00 41.20 H new ATOM 0 HH22 ARG A 64 34.230 -12.920 13.450 1.00 41.20 H new ATOM 953 N ASN A 65 26.991 -12.304 12.000 1.00 0.45 N ATOM 954 CA ASN A 65 27.018 -12.438 10.548 1.00 2.25 C ATOM 955 C ASN A 65 25.781 -11.803 9.920 1.00 4.33 C ATOM 956 O ASN A 65 25.161 -12.379 9.027 1.00 42.25 O ATOM 957 CB ASN A 65 27.104 -13.913 10.153 1.00 21.43 C ATOM 958 CG ASN A 65 28.432 -14.538 10.536 1.00 40.02 C ATOM 959 OD1 ASN A 65 29.369 -14.568 9.738 1.00 61.41 O ATOM 960 ND2 ASN A 65 28.518 -15.040 11.762 1.00 21.40 N ATOM 0 H ASN A 65 26.056 -12.323 12.408 1.00 0.45 H new ATOM 0 HA ASN A 65 27.900 -11.917 10.176 1.00 2.25 H new ATOM 0 HB2 ASN A 65 26.295 -14.463 10.634 1.00 21.43 H new ATOM 0 HB3 ASN A 65 26.958 -14.007 9.077 1.00 21.43 H new ATOM 0 HD21 ASN A 65 29.387 -15.473 12.076 1.00 21.40 H new ATOM 0 HD22 ASN A 65 27.715 -14.993 12.390 1.00 21.40 H new ATOM 967 N SER A 66 25.429 -10.612 10.394 1.00 50.21 N ATOM 968 CA SER A 66 24.265 -9.899 9.881 1.00 34.32 C ATOM 969 C SER A 66 24.411 -8.396 10.093 1.00 2.50 C ATOM 970 O SER A 66 23.424 -7.660 10.107 1.00 3.34 O ATOM 971 CB SER A 66 22.991 -10.400 10.566 1.00 65.52 C ATOM 972 OG SER A 66 22.658 -9.589 11.679 1.00 74.14 O ATOM 0 H SER A 66 25.933 -10.121 11.132 1.00 50.21 H new ATOM 0 HA SER A 66 24.195 -10.092 8.811 1.00 34.32 H new ATOM 0 HB2 SER A 66 22.167 -10.400 9.853 1.00 65.52 H new ATOM 0 HB3 SER A 66 23.131 -11.431 10.892 1.00 65.52 H new ATOM 0 HG SER A 66 22.442 -8.684 11.371 1.00 74.14 H new ATOM 978 N VAL A 67 25.651 -7.946 10.257 1.00 2.44 N ATOM 979 CA VAL A 67 25.929 -6.530 10.467 1.00 1.25 C ATOM 980 C VAL A 67 27.349 -6.179 10.036 1.00 13.44 C ATOM 981 O VAL A 67 28.321 -6.703 10.580 1.00 50.11 O ATOM 982 CB VAL A 67 25.740 -6.134 11.944 1.00 52.32 C ATOM 983 CG1 VAL A 67 24.265 -5.938 12.260 1.00 72.54 C ATOM 984 CG2 VAL A 67 26.355 -7.181 12.859 1.00 24.32 C ATOM 0 H VAL A 67 26.479 -8.542 10.248 1.00 2.44 H new ATOM 0 HA VAL A 67 25.219 -5.974 9.855 1.00 1.25 H new ATOM 0 HB VAL A 67 26.253 -5.188 12.117 1.00 52.32 H new ATOM 0 HG11 VAL A 67 24.151 -5.659 13.307 1.00 72.54 H new ATOM 0 HG12 VAL A 67 23.859 -5.148 11.628 1.00 72.54 H new ATOM 0 HG13 VAL A 67 23.726 -6.866 12.071 1.00 72.54 H new ATOM 0 HG21 VAL A 67 26.212 -6.885 13.898 1.00 24.32 H new ATOM 0 HG22 VAL A 67 25.873 -8.143 12.686 1.00 24.32 H new ATOM 0 HG23 VAL A 67 27.421 -7.266 12.649 1.00 24.32 H new ATOM 994 N ARG A 68 27.460 -5.288 9.057 1.00 43.43 N ATOM 995 CA ARG A 68 28.761 -4.866 8.552 1.00 65.33 C ATOM 996 C ARG A 68 29.177 -3.532 9.165 1.00 74.11 C ATOM 997 O ARG A 68 28.613 -2.486 8.842 1.00 35.43 O ATOM 998 CB ARG A 68 28.727 -4.750 7.027 1.00 62.23 C ATOM 999 CG ARG A 68 30.066 -4.370 6.415 1.00 73.44 C ATOM 1000 CD ARG A 68 30.620 -5.490 5.548 1.00 72.40 C ATOM 1001 NE ARG A 68 31.310 -6.505 6.340 1.00 72.01 N ATOM 1002 CZ ARG A 68 31.872 -7.589 5.817 1.00 51.12 C ATOM 1003 NH1 ARG A 68 31.826 -7.798 4.508 1.00 1.52 N ATOM 1004 NH2 ARG A 68 32.482 -8.467 6.603 1.00 51.30 N ATOM 0 H ARG A 68 26.665 -4.844 8.597 1.00 43.43 H new ATOM 0 HA ARG A 68 29.494 -5.621 8.836 1.00 65.33 H new ATOM 0 HB2 ARG A 68 28.401 -5.701 6.606 1.00 62.23 H new ATOM 0 HB3 ARG A 68 27.983 -4.005 6.744 1.00 62.23 H new ATOM 0 HG2 ARG A 68 29.950 -3.467 5.815 1.00 73.44 H new ATOM 0 HG3 ARG A 68 30.777 -4.137 7.208 1.00 73.44 H new ATOM 0 HD2 ARG A 68 29.806 -5.955 4.993 1.00 72.40 H new ATOM 0 HD3 ARG A 68 31.309 -5.073 4.814 1.00 72.40 H new ATOM 0 HE ARG A 68 31.363 -6.374 7.350 1.00 72.01 H new ATOM 0 HH11 ARG A 68 31.358 -7.125 3.900 1.00 1.52 H new ATOM 0 HH12 ARG A 68 32.258 -8.631 4.109 1.00 1.52 H new ATOM 0 HH21 ARG A 68 32.520 -8.310 7.610 1.00 51.30 H new ATOM 0 HH22 ARG A 68 32.913 -9.299 6.200 1.00 51.30 H new ATOM 1018 N PHE A 69 30.166 -3.576 10.051 1.00 31.40 N ATOM 1019 CA PHE A 69 30.656 -2.372 10.711 1.00 52.22 C ATOM 1020 C PHE A 69 31.766 -1.717 9.893 1.00 34.14 C ATOM 1021 O PHE A 69 32.856 -2.272 9.748 1.00 33.13 O ATOM 1022 CB PHE A 69 31.169 -2.706 12.113 1.00 11.51 C ATOM 1023 CG PHE A 69 30.114 -3.277 13.017 1.00 64.41 C ATOM 1024 CD1 PHE A 69 29.798 -4.626 12.968 1.00 51.53 C ATOM 1025 CD2 PHE A 69 29.440 -2.467 13.916 1.00 71.20 C ATOM 1026 CE1 PHE A 69 28.827 -5.154 13.798 1.00 64.03 C ATOM 1027 CE2 PHE A 69 28.469 -2.990 14.749 1.00 73.31 C ATOM 1028 CZ PHE A 69 28.163 -4.336 14.690 1.00 12.32 C ATOM 0 H PHE A 69 30.644 -4.433 10.329 1.00 31.40 H new ATOM 0 HA PHE A 69 29.827 -1.670 10.793 1.00 52.22 H new ATOM 0 HB2 PHE A 69 31.990 -3.418 12.031 1.00 11.51 H new ATOM 0 HB3 PHE A 69 31.575 -1.802 12.567 1.00 11.51 H new ATOM 0 HD1 PHE A 69 30.316 -5.271 12.274 1.00 51.53 H new ATOM 0 HD2 PHE A 69 29.676 -1.414 13.967 1.00 71.20 H new ATOM 0 HE1 PHE A 69 28.588 -6.206 13.749 1.00 64.03 H new ATOM 0 HE2 PHE A 69 27.950 -2.347 15.445 1.00 73.31 H new ATOM 0 HZ PHE A 69 27.406 -4.748 15.341 1.00 12.32 H new ATOM 1038 N LEU A 70 31.480 -0.534 9.361 1.00 64.02 N ATOM 1039 CA LEU A 70 32.453 0.198 8.557 1.00 62.31 C ATOM 1040 C LEU A 70 32.754 1.560 9.173 1.00 52.41 C ATOM 1041 O LEU A 70 31.903 2.155 9.836 1.00 44.15 O ATOM 1042 CB LEU A 70 31.935 0.374 7.129 1.00 54.13 C ATOM 1043 CG LEU A 70 30.430 0.608 6.985 1.00 63.40 C ATOM 1044 CD1 LEU A 70 30.061 2.008 7.450 1.00 74.33 C ATOM 1045 CD2 LEU A 70 29.992 0.389 5.544 1.00 31.23 C ATOM 0 H LEU A 70 30.583 -0.061 9.472 1.00 64.02 H new ATOM 0 HA LEU A 70 33.376 -0.381 8.533 1.00 62.31 H new ATOM 0 HB2 LEU A 70 32.458 1.216 6.675 1.00 54.13 H new ATOM 0 HB3 LEU A 70 32.201 -0.514 6.555 1.00 54.13 H new ATOM 0 HG LEU A 70 29.907 -0.111 7.616 1.00 63.40 H new ATOM 0 HD11 LEU A 70 28.987 2.157 7.340 1.00 74.33 H new ATOM 0 HD12 LEU A 70 30.339 2.129 8.497 1.00 74.33 H new ATOM 0 HD13 LEU A 70 30.592 2.744 6.846 1.00 74.33 H new ATOM 0 HD21 LEU A 70 28.919 0.560 5.460 1.00 31.23 H new ATOM 0 HD22 LEU A 70 30.522 1.084 4.893 1.00 31.23 H new ATOM 0 HD23 LEU A 70 30.221 -0.634 5.246 1.00 31.23 H new ATOM 1057 N PHE A 71 33.968 2.051 8.948 1.00 23.31 N ATOM 1058 CA PHE A 71 34.381 3.344 9.480 1.00 41.32 C ATOM 1059 C PHE A 71 34.789 4.290 8.354 1.00 13.10 C ATOM 1060 O PHE A 71 35.874 4.166 7.787 1.00 62.44 O ATOM 1061 CB PHE A 71 35.543 3.169 10.460 1.00 11.40 C ATOM 1062 CG PHE A 71 36.272 4.448 10.760 1.00 71.12 C ATOM 1063 CD1 PHE A 71 35.572 5.612 11.033 1.00 42.21 C ATOM 1064 CD2 PHE A 71 37.657 4.485 10.768 1.00 50.51 C ATOM 1065 CE1 PHE A 71 36.240 6.790 11.310 1.00 40.45 C ATOM 1066 CE2 PHE A 71 38.330 5.660 11.044 1.00 1.53 C ATOM 1067 CZ PHE A 71 37.621 6.815 11.314 1.00 31.42 C ATOM 0 H PHE A 71 34.683 1.573 8.400 1.00 23.31 H new ATOM 0 HA PHE A 71 33.532 3.779 10.008 1.00 41.32 H new ATOM 0 HB2 PHE A 71 35.162 2.750 11.391 1.00 11.40 H new ATOM 0 HB3 PHE A 71 36.248 2.446 10.050 1.00 11.40 H new ATOM 0 HD1 PHE A 71 34.492 5.599 11.029 1.00 42.21 H new ATOM 0 HD2 PHE A 71 38.217 3.586 10.556 1.00 50.51 H new ATOM 0 HE1 PHE A 71 35.683 7.690 11.523 1.00 40.45 H new ATOM 0 HE2 PHE A 71 39.410 5.676 11.049 1.00 1.53 H new ATOM 0 HZ PHE A 71 38.145 7.735 11.528 1.00 31.42 H new ATOM 1077 N ASP A 72 33.910 5.235 8.036 1.00 25.22 N ATOM 1078 CA ASP A 72 34.178 6.203 6.979 1.00 72.23 C ATOM 1079 C ASP A 72 34.524 5.497 5.671 1.00 5.43 C ATOM 1080 O ASP A 72 35.288 6.016 4.858 1.00 23.20 O ATOM 1081 CB ASP A 72 35.319 7.135 7.388 1.00 63.10 C ATOM 1082 CG ASP A 72 35.006 8.591 7.107 1.00 3.52 C ATOM 1083 OD1 ASP A 72 34.395 8.875 6.056 1.00 41.35 O ATOM 1084 OD2 ASP A 72 35.372 9.447 7.939 1.00 13.55 O ATOM 0 H ASP A 72 33.007 5.351 8.495 1.00 25.22 H new ATOM 0 HA ASP A 72 33.275 6.794 6.824 1.00 72.23 H new ATOM 0 HB2 ASP A 72 35.524 7.009 8.451 1.00 63.10 H new ATOM 0 HB3 ASP A 72 36.225 6.851 6.853 1.00 63.10 H new ATOM 1089 N GLY A 73 33.958 4.310 5.477 1.00 53.44 N ATOM 1090 CA GLY A 73 34.220 3.553 4.267 1.00 70.40 C ATOM 1091 C GLY A 73 35.174 2.398 4.502 1.00 75.15 C ATOM 1092 O GLY A 73 35.625 1.753 3.555 1.00 44.04 O ATOM 0 H GLY A 73 33.323 3.859 6.136 1.00 53.44 H new ATOM 0 HA2 GLY A 73 33.280 3.169 3.871 1.00 70.40 H new ATOM 0 HA3 GLY A 73 34.637 4.217 3.510 1.00 70.40 H new ATOM 1096 N THR A 74 35.483 2.136 5.768 1.00 71.54 N ATOM 1097 CA THR A 74 36.391 1.053 6.124 1.00 62.11 C ATOM 1098 C THR A 74 35.644 -0.092 6.797 1.00 30.45 C ATOM 1099 O THR A 74 35.593 -0.196 8.023 1.00 31.42 O ATOM 1100 CB THR A 74 37.509 1.544 7.063 1.00 64.33 C ATOM 1101 OG1 THR A 74 37.969 2.834 6.645 1.00 15.10 O ATOM 1102 CG2 THR A 74 38.674 0.565 7.075 1.00 10.00 C ATOM 0 H THR A 74 35.118 2.659 6.564 1.00 71.54 H new ATOM 0 HA THR A 74 36.837 0.696 5.196 1.00 62.11 H new ATOM 0 HB THR A 74 37.102 1.613 8.072 1.00 64.33 H new ATOM 0 HG1 THR A 74 37.351 3.522 6.968 1.00 15.10 H new ATOM 0 HG21 THR A 74 39.451 0.933 7.745 1.00 10.00 H new ATOM 0 HG22 THR A 74 38.327 -0.409 7.421 1.00 10.00 H new ATOM 0 HG23 THR A 74 39.079 0.469 6.068 1.00 10.00 H new ATOM 1110 N PRO A 75 35.050 -0.974 5.980 1.00 60.41 N ATOM 1111 CA PRO A 75 34.296 -2.129 6.475 1.00 35.44 C ATOM 1112 C PRO A 75 35.197 -3.180 7.114 1.00 22.22 C ATOM 1113 O PRO A 75 35.800 -3.999 6.420 1.00 42.04 O ATOM 1114 CB PRO A 75 33.634 -2.689 5.214 1.00 54.54 C ATOM 1115 CG PRO A 75 34.515 -2.248 4.096 1.00 10.34 C ATOM 1116 CD PRO A 75 35.070 -0.912 4.509 1.00 71.42 C ATOM 0 HA PRO A 75 33.589 -1.848 7.256 1.00 35.44 H new ATOM 0 HB2 PRO A 75 33.560 -3.776 5.255 1.00 54.54 H new ATOM 0 HB3 PRO A 75 32.621 -2.305 5.095 1.00 54.54 H new ATOM 0 HG2 PRO A 75 35.316 -2.967 3.923 1.00 10.34 H new ATOM 0 HG3 PRO A 75 33.953 -2.167 3.165 1.00 10.34 H new ATOM 0 HD2 PRO A 75 36.080 -0.761 4.127 1.00 71.42 H new ATOM 0 HD3 PRO A 75 34.461 -0.090 4.133 1.00 71.42 H new ATOM 1124 N ILE A 76 35.284 -3.152 8.440 1.00 43.43 N ATOM 1125 CA ILE A 76 36.111 -4.103 9.171 1.00 25.21 C ATOM 1126 C ILE A 76 35.491 -4.447 10.521 1.00 70.11 C ATOM 1127 O ILE A 76 34.906 -3.590 11.183 1.00 1.23 O ATOM 1128 CB ILE A 76 37.533 -3.556 9.397 1.00 63.12 C ATOM 1129 CG1 ILE A 76 38.226 -3.307 8.056 1.00 43.14 C ATOM 1130 CG2 ILE A 76 38.344 -4.523 10.247 1.00 62.04 C ATOM 1131 CD1 ILE A 76 38.495 -4.571 7.270 1.00 20.42 C ATOM 0 H ILE A 76 34.792 -2.481 9.029 1.00 43.43 H new ATOM 0 HA ILE A 76 36.170 -5.004 8.560 1.00 25.21 H new ATOM 0 HB ILE A 76 37.461 -2.608 9.929 1.00 63.12 H new ATOM 0 HG12 ILE A 76 37.608 -2.640 7.455 1.00 43.14 H new ATOM 0 HG13 ILE A 76 39.170 -2.792 8.234 1.00 43.14 H new ATOM 0 HG21 ILE A 76 39.346 -4.122 10.398 1.00 62.04 H new ATOM 0 HG22 ILE A 76 37.857 -4.655 11.213 1.00 62.04 H new ATOM 0 HG23 ILE A 76 38.411 -5.486 9.740 1.00 62.04 H new ATOM 0 HD11 ILE A 76 38.988 -4.318 6.331 1.00 20.42 H new ATOM 0 HD12 ILE A 76 39.139 -5.231 7.851 1.00 20.42 H new ATOM 0 HD13 ILE A 76 37.552 -5.076 7.060 1.00 20.42 H new ATOM 1143 N ASP A 77 35.624 -5.706 10.923 1.00 21.04 N ATOM 1144 CA ASP A 77 35.079 -6.164 12.196 1.00 2.53 C ATOM 1145 C ASP A 77 36.189 -6.670 13.112 1.00 61.31 C ATOM 1146 O ASP A 77 36.529 -7.853 13.095 1.00 54.13 O ATOM 1147 CB ASP A 77 34.047 -7.268 11.966 1.00 72.21 C ATOM 1148 CG ASP A 77 32.882 -6.804 11.114 1.00 40.31 C ATOM 1149 OD1 ASP A 77 32.801 -5.590 10.831 1.00 54.13 O ATOM 1150 OD2 ASP A 77 32.052 -7.654 10.730 1.00 44.14 O ATOM 0 H ASP A 77 36.104 -6.428 10.386 1.00 21.04 H new ATOM 0 HA ASP A 77 34.591 -5.318 12.680 1.00 2.53 H new ATOM 0 HB2 ASP A 77 34.530 -8.118 11.484 1.00 72.21 H new ATOM 0 HB3 ASP A 77 33.673 -7.618 12.928 1.00 72.21 H new ATOM 1155 N GLU A 78 36.751 -5.767 13.909 1.00 13.21 N ATOM 1156 CA GLU A 78 37.824 -6.123 14.830 1.00 73.11 C ATOM 1157 C GLU A 78 38.271 -4.910 15.640 1.00 41.43 C ATOM 1158 O GLU A 78 37.884 -3.777 15.349 1.00 22.11 O ATOM 1159 CB GLU A 78 39.013 -6.704 14.062 1.00 72.11 C ATOM 1160 CG GLU A 78 39.170 -8.206 14.229 1.00 71.23 C ATOM 1161 CD GLU A 78 39.534 -8.902 12.932 1.00 62.23 C ATOM 1162 OE1 GLU A 78 38.915 -8.584 11.894 1.00 24.34 O ATOM 1163 OE2 GLU A 78 40.437 -9.764 12.954 1.00 61.43 O ATOM 0 H GLU A 78 36.481 -4.784 13.936 1.00 13.21 H new ATOM 0 HA GLU A 78 37.442 -6.877 15.519 1.00 73.11 H new ATOM 0 HB2 GLU A 78 38.897 -6.475 13.003 1.00 72.11 H new ATOM 0 HB3 GLU A 78 39.926 -6.212 14.397 1.00 72.11 H new ATOM 0 HG2 GLU A 78 39.941 -8.406 14.973 1.00 71.23 H new ATOM 0 HG3 GLU A 78 38.240 -8.624 14.613 1.00 71.23 H new ATOM 1170 N THR A 79 39.089 -5.154 16.659 1.00 61.41 N ATOM 1171 CA THR A 79 39.588 -4.084 17.512 1.00 3.24 C ATOM 1172 C THR A 79 41.089 -3.890 17.330 1.00 42.41 C ATOM 1173 O THR A 79 41.792 -3.491 18.259 1.00 52.32 O ATOM 1174 CB THR A 79 39.296 -4.367 18.998 1.00 53.00 C ATOM 1175 OG1 THR A 79 39.543 -3.192 19.779 1.00 65.43 O ATOM 1176 CG2 THR A 79 40.155 -5.513 19.510 1.00 42.01 C ATOM 0 H THR A 79 39.420 -6.085 16.913 1.00 61.41 H new ATOM 0 HA THR A 79 39.067 -3.174 17.213 1.00 3.24 H new ATOM 0 HB THR A 79 38.248 -4.650 19.091 1.00 53.00 H new ATOM 0 HG1 THR A 79 40.506 -3.010 19.800 1.00 65.43 H new ATOM 0 HG21 THR A 79 39.931 -5.694 20.561 1.00 42.01 H new ATOM 0 HG22 THR A 79 39.942 -6.413 18.933 1.00 42.01 H new ATOM 0 HG23 THR A 79 41.208 -5.254 19.403 1.00 42.01 H new ATOM 1184 N LYS A 80 41.576 -4.173 16.126 1.00 33.44 N ATOM 1185 CA LYS A 80 42.994 -4.028 15.820 1.00 32.32 C ATOM 1186 C LYS A 80 43.192 -3.328 14.480 1.00 61.45 C ATOM 1187 O LYS A 80 44.090 -2.500 14.326 1.00 4.02 O ATOM 1188 CB LYS A 80 43.675 -5.399 15.798 1.00 54.33 C ATOM 1189 CG LYS A 80 45.019 -5.421 16.504 1.00 63.43 C ATOM 1190 CD LYS A 80 44.856 -5.503 18.012 1.00 32.42 C ATOM 1191 CE LYS A 80 46.168 -5.852 18.697 1.00 44.00 C ATOM 1192 NZ LYS A 80 46.952 -4.635 19.046 1.00 10.25 N ATOM 0 H LYS A 80 41.009 -4.504 15.346 1.00 33.44 H new ATOM 0 HA LYS A 80 43.448 -3.417 16.600 1.00 32.32 H new ATOM 0 HB2 LYS A 80 43.016 -6.130 16.266 1.00 54.33 H new ATOM 0 HB3 LYS A 80 43.813 -5.711 14.763 1.00 54.33 H new ATOM 0 HG2 LYS A 80 45.601 -6.273 16.153 1.00 63.43 H new ATOM 0 HG3 LYS A 80 45.581 -4.523 16.246 1.00 63.43 H new ATOM 0 HD2 LYS A 80 44.489 -4.549 18.392 1.00 32.42 H new ATOM 0 HD3 LYS A 80 44.105 -6.254 18.257 1.00 32.42 H new ATOM 0 HE2 LYS A 80 45.964 -6.425 19.602 1.00 44.00 H new ATOM 0 HE3 LYS A 80 46.761 -6.491 18.042 1.00 44.00 H new ATOM 0 HZ1 LYS A 80 47.839 -4.915 19.511 1.00 10.25 H new ATOM 0 HZ2 LYS A 80 47.169 -4.101 18.180 1.00 10.25 H new ATOM 0 HZ3 LYS A 80 46.397 -4.037 19.691 1.00 10.25 H new ATOM 1206 N THR A 81 42.347 -3.665 13.510 1.00 32.33 N ATOM 1207 CA THR A 81 42.429 -3.069 12.183 1.00 60.11 C ATOM 1208 C THR A 81 42.030 -1.598 12.215 1.00 23.22 C ATOM 1209 O THR A 81 42.799 -0.713 11.838 1.00 31.42 O ATOM 1210 CB THR A 81 41.529 -3.811 11.177 1.00 60.30 C ATOM 1211 OG1 THR A 81 40.879 -4.913 11.821 1.00 0.20 O ATOM 1212 CG2 THR A 81 42.341 -4.316 9.994 1.00 25.52 C ATOM 0 H THR A 81 41.598 -4.348 13.619 1.00 32.33 H new ATOM 0 HA THR A 81 43.467 -3.154 11.862 1.00 60.11 H new ATOM 0 HB THR A 81 40.779 -3.111 10.810 1.00 60.30 H new ATOM 0 HG1 THR A 81 40.717 -5.625 11.167 1.00 0.20 H new ATOM 0 HG21 THR A 81 41.684 -4.837 9.297 1.00 25.52 H new ATOM 0 HG22 THR A 81 42.811 -3.472 9.488 1.00 25.52 H new ATOM 0 HG23 THR A 81 43.111 -5.002 10.347 1.00 25.52 H new ATOM 1220 N PRO A 82 40.800 -1.328 12.677 1.00 42.34 N ATOM 1221 CA PRO A 82 40.272 0.037 12.770 1.00 21.42 C ATOM 1222 C PRO A 82 40.965 0.853 13.856 1.00 42.25 C ATOM 1223 O PRO A 82 41.050 2.077 13.764 1.00 4.30 O ATOM 1224 CB PRO A 82 38.798 -0.177 13.121 1.00 34.13 C ATOM 1225 CG PRO A 82 38.757 -1.505 13.795 1.00 62.43 C ATOM 1226 CD PRO A 82 39.830 -2.333 13.143 1.00 44.11 C ATOM 0 HA PRO A 82 40.428 0.599 11.849 1.00 21.42 H new ATOM 0 HB2 PRO A 82 38.429 0.611 13.777 1.00 34.13 H new ATOM 0 HB3 PRO A 82 38.173 -0.167 12.228 1.00 34.13 H new ATOM 0 HG2 PRO A 82 38.937 -1.405 14.865 1.00 62.43 H new ATOM 0 HG3 PRO A 82 37.779 -1.972 13.679 1.00 62.43 H new ATOM 0 HD2 PRO A 82 40.282 -3.032 13.847 1.00 44.11 H new ATOM 0 HD3 PRO A 82 39.435 -2.924 12.317 1.00 44.11 H new ATOM 1234 N GLU A 83 41.459 0.167 14.882 1.00 40.24 N ATOM 1235 CA GLU A 83 42.144 0.831 15.984 1.00 25.13 C ATOM 1236 C GLU A 83 43.551 1.257 15.573 1.00 21.52 C ATOM 1237 O GLU A 83 44.023 2.326 15.956 1.00 0.42 O ATOM 1238 CB GLU A 83 42.215 -0.094 17.201 1.00 32.30 C ATOM 1239 CG GLU A 83 43.451 -0.977 17.224 1.00 63.24 C ATOM 1240 CD GLU A 83 44.679 -0.248 17.734 1.00 63.33 C ATOM 1241 OE1 GLU A 83 44.516 0.720 18.506 1.00 72.14 O ATOM 1242 OE2 GLU A 83 45.803 -0.645 17.361 1.00 30.43 O ATOM 0 H GLU A 83 41.398 -0.847 14.973 1.00 40.24 H new ATOM 0 HA GLU A 83 41.575 1.723 16.247 1.00 25.13 H new ATOM 0 HB2 GLU A 83 42.194 0.511 18.108 1.00 32.30 H new ATOM 0 HB3 GLU A 83 41.327 -0.726 17.219 1.00 32.30 H new ATOM 0 HG2 GLU A 83 43.261 -1.846 17.854 1.00 63.24 H new ATOM 0 HG3 GLU A 83 43.646 -1.349 16.218 1.00 63.24 H new ATOM 1249 N GLU A 84 44.215 0.410 14.792 1.00 55.23 N ATOM 1250 CA GLU A 84 45.567 0.698 14.330 1.00 4.21 C ATOM 1251 C GLU A 84 45.545 1.657 13.143 1.00 33.02 C ATOM 1252 O GLU A 84 46.524 2.354 12.874 1.00 23.34 O ATOM 1253 CB GLU A 84 46.284 -0.597 13.940 1.00 14.43 C ATOM 1254 CG GLU A 84 45.916 -1.102 12.556 1.00 74.44 C ATOM 1255 CD GLU A 84 46.982 -0.799 11.521 1.00 10.21 C ATOM 1256 OE1 GLU A 84 48.115 -1.302 11.672 1.00 31.34 O ATOM 1257 OE2 GLU A 84 46.684 -0.058 10.561 1.00 2.01 O ATOM 0 H GLU A 84 43.838 -0.480 14.467 1.00 55.23 H new ATOM 0 HA GLU A 84 46.109 1.173 15.148 1.00 4.21 H new ATOM 0 HB2 GLU A 84 47.361 -0.434 13.984 1.00 14.43 H new ATOM 0 HB3 GLU A 84 46.049 -1.368 14.674 1.00 14.43 H new ATOM 0 HG2 GLU A 84 45.752 -2.179 12.598 1.00 74.44 H new ATOM 0 HG3 GLU A 84 44.975 -0.648 12.246 1.00 74.44 H new ATOM 1264 N LEU A 85 44.421 1.687 12.436 1.00 73.31 N ATOM 1265 CA LEU A 85 44.269 2.559 11.277 1.00 50.34 C ATOM 1266 C LEU A 85 43.800 3.948 11.698 1.00 11.11 C ATOM 1267 O LEU A 85 44.176 4.952 11.094 1.00 62.50 O ATOM 1268 CB LEU A 85 43.276 1.953 10.284 1.00 61.35 C ATOM 1269 CG LEU A 85 43.172 2.651 8.927 1.00 22.11 C ATOM 1270 CD1 LEU A 85 43.786 1.789 7.835 1.00 51.13 C ATOM 1271 CD2 LEU A 85 41.721 2.973 8.603 1.00 73.22 C ATOM 0 H LEU A 85 43.601 1.117 12.645 1.00 73.31 H new ATOM 0 HA LEU A 85 45.242 2.654 10.796 1.00 50.34 H new ATOM 0 HB2 LEU A 85 43.552 0.912 10.114 1.00 61.35 H new ATOM 0 HB3 LEU A 85 42.288 1.950 10.745 1.00 61.35 H new ATOM 0 HG LEU A 85 43.728 3.587 8.978 1.00 22.11 H new ATOM 0 HD11 LEU A 85 43.703 2.302 6.877 1.00 51.13 H new ATOM 0 HD12 LEU A 85 44.837 1.610 8.061 1.00 51.13 H new ATOM 0 HD13 LEU A 85 43.259 0.836 7.784 1.00 51.13 H new ATOM 0 HD21 LEU A 85 41.666 3.469 7.634 1.00 73.22 H new ATOM 0 HD22 LEU A 85 41.142 2.050 8.571 1.00 73.22 H new ATOM 0 HD23 LEU A 85 41.314 3.631 9.371 1.00 73.22 H new ATOM 1283 N GLY A 86 42.977 3.998 12.741 1.00 14.11 N ATOM 1284 CA GLY A 86 42.471 5.269 13.227 1.00 24.32 C ATOM 1285 C GLY A 86 43.359 5.875 14.296 1.00 32.22 C ATOM 1286 O GLY A 86 43.812 7.012 14.165 1.00 35.42 O ATOM 0 H GLY A 86 42.652 3.181 13.258 1.00 14.11 H new ATOM 0 HA2 GLY A 86 42.385 5.965 12.393 1.00 24.32 H new ATOM 0 HA3 GLY A 86 41.468 5.128 13.629 1.00 24.32 H new ATOM 1290 N MET A 87 43.607 5.115 15.358 1.00 33.00 N ATOM 1291 CA MET A 87 44.446 5.585 16.454 1.00 34.14 C ATOM 1292 C MET A 87 43.815 6.791 17.143 1.00 41.20 C ATOM 1293 O MET A 87 44.385 7.882 17.147 1.00 32.24 O ATOM 1294 CB MET A 87 45.839 5.948 15.939 1.00 45.11 C ATOM 1295 CG MET A 87 46.437 4.901 15.012 1.00 15.44 C ATOM 1296 SD MET A 87 48.238 4.963 14.965 1.00 71.54 S ATOM 1297 CE MET A 87 48.544 4.572 13.244 1.00 44.24 C ATOM 0 H MET A 87 43.239 4.172 15.483 1.00 33.00 H new ATOM 0 HA MET A 87 44.535 4.779 17.182 1.00 34.14 H new ATOM 0 HB2 MET A 87 45.785 6.900 15.411 1.00 45.11 H new ATOM 0 HB3 MET A 87 46.506 6.092 16.789 1.00 45.11 H new ATOM 0 HG2 MET A 87 46.120 3.910 15.337 1.00 15.44 H new ATOM 0 HG3 MET A 87 46.046 5.047 14.005 1.00 15.44 H new ATOM 0 HE1 MET A 87 49.367 5.183 12.873 1.00 44.24 H new ATOM 0 HE2 MET A 87 48.804 3.518 13.151 1.00 44.24 H new ATOM 0 HE3 MET A 87 47.647 4.777 12.659 1.00 44.24 H new ATOM 1307 N GLU A 88 42.636 6.587 17.723 1.00 25.00 N ATOM 1308 CA GLU A 88 41.929 7.659 18.413 1.00 4.41 C ATOM 1309 C GLU A 88 40.797 7.101 19.270 1.00 2.05 C ATOM 1310 O GLU A 88 40.336 5.980 19.055 1.00 55.43 O ATOM 1311 CB GLU A 88 41.371 8.665 17.404 1.00 63.45 C ATOM 1312 CG GLU A 88 40.438 8.043 16.378 1.00 2.00 C ATOM 1313 CD GLU A 88 40.528 8.718 15.023 1.00 14.11 C ATOM 1314 OE1 GLU A 88 41.654 8.848 14.499 1.00 73.21 O ATOM 1315 OE2 GLU A 88 39.473 9.117 14.487 1.00 35.44 O ATOM 0 H GLU A 88 42.151 5.690 17.729 1.00 25.00 H new ATOM 0 HA GLU A 88 42.640 8.166 19.066 1.00 4.41 H new ATOM 0 HB2 GLU A 88 40.836 9.448 17.942 1.00 63.45 H new ATOM 0 HB3 GLU A 88 42.201 9.145 16.885 1.00 63.45 H new ATOM 0 HG2 GLU A 88 40.677 6.985 16.269 1.00 2.00 H new ATOM 0 HG3 GLU A 88 39.412 8.102 16.742 1.00 2.00 H new ATOM 1322 N ASP A 89 40.356 7.890 20.244 1.00 54.25 N ATOM 1323 CA ASP A 89 39.277 7.476 21.134 1.00 44.21 C ATOM 1324 C ASP A 89 37.916 7.810 20.531 1.00 5.10 C ATOM 1325 O ASP A 89 36.890 7.724 21.205 1.00 11.43 O ATOM 1326 CB ASP A 89 39.425 8.153 22.497 1.00 20.05 C ATOM 1327 CG ASP A 89 39.674 9.644 22.380 1.00 72.20 C ATOM 1328 OD1 ASP A 89 40.806 10.030 22.022 1.00 23.54 O ATOM 1329 OD2 ASP A 89 38.736 10.425 22.646 1.00 4.05 O ATOM 0 H ASP A 89 40.729 8.820 20.437 1.00 54.25 H new ATOM 0 HA ASP A 89 39.341 6.396 21.264 1.00 44.21 H new ATOM 0 HB2 ASP A 89 38.522 7.984 23.083 1.00 20.05 H new ATOM 0 HB3 ASP A 89 40.249 7.692 23.041 1.00 20.05 H new ATOM 1334 N ASP A 90 37.916 8.192 19.259 1.00 64.34 N ATOM 1335 CA ASP A 90 36.682 8.539 18.565 1.00 73.25 C ATOM 1336 C ASP A 90 36.413 7.571 17.416 1.00 4.11 C ATOM 1337 O ASP A 90 36.038 7.984 16.319 1.00 74.43 O ATOM 1338 CB ASP A 90 36.755 9.971 18.034 1.00 2.51 C ATOM 1339 CG ASP A 90 36.684 11.003 19.142 1.00 12.54 C ATOM 1340 OD1 ASP A 90 36.212 10.657 20.245 1.00 13.43 O ATOM 1341 OD2 ASP A 90 37.099 12.158 18.907 1.00 62.45 O ATOM 0 H ASP A 90 38.757 8.269 18.687 1.00 64.34 H new ATOM 0 HA ASP A 90 35.861 8.466 19.278 1.00 73.25 H new ATOM 0 HB2 ASP A 90 37.683 10.102 17.478 1.00 2.51 H new ATOM 0 HB3 ASP A 90 35.937 10.138 17.333 1.00 2.51 H new ATOM 1346 N ASP A 91 36.610 6.283 17.676 1.00 0.43 N ATOM 1347 CA ASP A 91 36.389 5.257 16.665 1.00 64.54 C ATOM 1348 C ASP A 91 34.899 4.985 16.482 1.00 25.20 C ATOM 1349 O ASP A 91 34.220 4.542 17.408 1.00 24.24 O ATOM 1350 CB ASP A 91 37.112 3.965 17.052 1.00 43.44 C ATOM 1351 CG ASP A 91 38.609 4.161 17.198 1.00 15.30 C ATOM 1352 OD1 ASP A 91 39.095 5.268 16.885 1.00 20.23 O ATOM 1353 OD2 ASP A 91 39.293 3.208 17.625 1.00 62.45 O ATOM 0 H ASP A 91 36.922 5.925 18.579 1.00 0.43 H new ATOM 0 HA ASP A 91 36.792 5.621 15.720 1.00 64.54 H new ATOM 0 HB2 ASP A 91 36.704 3.591 17.991 1.00 43.44 H new ATOM 0 HB3 ASP A 91 36.920 3.204 16.296 1.00 43.44 H new ATOM 1358 N VAL A 92 34.397 5.254 15.281 1.00 14.34 N ATOM 1359 CA VAL A 92 32.987 5.039 14.977 1.00 61.11 C ATOM 1360 C VAL A 92 32.802 3.848 14.043 1.00 3.21 C ATOM 1361 O VAL A 92 33.650 3.577 13.192 1.00 73.12 O ATOM 1362 CB VAL A 92 32.355 6.287 14.331 1.00 24.44 C ATOM 1363 CG1 VAL A 92 32.737 7.539 15.105 1.00 43.54 C ATOM 1364 CG2 VAL A 92 32.774 6.401 12.873 1.00 2.55 C ATOM 0 H VAL A 92 34.945 5.621 14.503 1.00 14.34 H new ATOM 0 HA VAL A 92 32.486 4.836 15.924 1.00 61.11 H new ATOM 0 HB VAL A 92 31.270 6.185 14.366 1.00 24.44 H new ATOM 0 HG11 VAL A 92 32.282 8.411 14.635 1.00 43.54 H new ATOM 0 HG12 VAL A 92 32.382 7.454 16.132 1.00 43.54 H new ATOM 0 HG13 VAL A 92 33.821 7.651 15.104 1.00 43.54 H new ATOM 0 HG21 VAL A 92 32.319 7.288 12.432 1.00 2.55 H new ATOM 0 HG22 VAL A 92 33.859 6.481 12.812 1.00 2.55 H new ATOM 0 HG23 VAL A 92 32.445 5.516 12.329 1.00 2.55 H new ATOM 1374 N ILE A 93 31.689 3.141 14.208 1.00 44.20 N ATOM 1375 CA ILE A 93 31.393 1.980 13.378 1.00 13.13 C ATOM 1376 C ILE A 93 29.912 1.925 13.019 1.00 52.42 C ATOM 1377 O ILE A 93 29.054 1.805 13.894 1.00 41.41 O ATOM 1378 CB ILE A 93 31.787 0.669 14.083 1.00 21.23 C ATOM 1379 CG1 ILE A 93 31.424 0.733 15.568 1.00 12.42 C ATOM 1380 CG2 ILE A 93 33.274 0.399 13.907 1.00 0.45 C ATOM 1381 CD1 ILE A 93 30.860 -0.562 16.109 1.00 13.32 C ATOM 0 H ILE A 93 30.978 3.352 14.908 1.00 44.20 H new ATOM 0 HA ILE A 93 31.982 2.085 12.467 1.00 13.13 H new ATOM 0 HB ILE A 93 31.232 -0.151 13.628 1.00 21.23 H new ATOM 0 HG12 ILE A 93 32.313 1.000 16.140 1.00 12.42 H new ATOM 0 HG13 ILE A 93 30.696 1.529 15.722 1.00 12.42 H new ATOM 0 HG21 ILE A 93 33.537 -0.531 14.411 1.00 0.45 H new ATOM 0 HG22 ILE A 93 33.505 0.314 12.845 1.00 0.45 H new ATOM 0 HG23 ILE A 93 33.846 1.220 14.339 1.00 0.45 H new ATOM 0 HD11 ILE A 93 30.626 -0.443 17.167 1.00 13.32 H new ATOM 0 HD12 ILE A 93 29.953 -0.820 15.563 1.00 13.32 H new ATOM 0 HD13 ILE A 93 31.595 -1.358 15.988 1.00 13.32 H new ATOM 1393 N ASP A 94 29.619 2.012 11.726 1.00 10.30 N ATOM 1394 CA ASP A 94 28.241 1.970 11.249 1.00 24.35 C ATOM 1395 C ASP A 94 27.881 0.573 10.754 1.00 73.30 C ATOM 1396 O ASP A 94 28.479 0.066 9.805 1.00 54.50 O ATOM 1397 CB ASP A 94 28.035 2.991 10.130 1.00 71.35 C ATOM 1398 CG ASP A 94 28.978 4.172 10.242 1.00 42.11 C ATOM 1399 OD1 ASP A 94 29.145 4.693 11.364 1.00 31.04 O ATOM 1400 OD2 ASP A 94 29.549 4.576 9.207 1.00 3.42 O ATOM 0 H ASP A 94 30.317 2.112 10.989 1.00 10.30 H new ATOM 0 HA ASP A 94 27.585 2.221 12.083 1.00 24.35 H new ATOM 0 HB2 ASP A 94 28.181 2.503 9.166 1.00 71.35 H new ATOM 0 HB3 ASP A 94 27.006 3.348 10.154 1.00 71.35 H new ATOM 1405 N ALA A 95 26.900 -0.045 11.404 1.00 71.21 N ATOM 1406 CA ALA A 95 26.459 -1.383 11.029 1.00 61.01 C ATOM 1407 C ALA A 95 25.383 -1.324 9.951 1.00 75.14 C ATOM 1408 O ALA A 95 24.263 -0.879 10.202 1.00 42.53 O ATOM 1409 CB ALA A 95 25.945 -2.131 12.250 1.00 23.11 C ATOM 0 H ALA A 95 26.396 0.360 12.193 1.00 71.21 H new ATOM 0 HA ALA A 95 27.316 -1.920 10.622 1.00 61.01 H new ATOM 0 HB1 ALA A 95 25.619 -3.128 11.955 1.00 23.11 H new ATOM 0 HB2 ALA A 95 26.742 -2.213 12.989 1.00 23.11 H new ATOM 0 HB3 ALA A 95 25.105 -1.588 12.682 1.00 23.11 H new ATOM 1415 N MET A 96 25.729 -1.776 8.750 1.00 40.13 N ATOM 1416 CA MET A 96 24.791 -1.775 7.633 1.00 11.42 C ATOM 1417 C MET A 96 24.482 -3.198 7.181 1.00 32.31 C ATOM 1418 O MET A 96 25.288 -4.109 7.370 1.00 21.24 O ATOM 1419 CB MET A 96 25.358 -0.967 6.464 1.00 71.52 C ATOM 1420 CG MET A 96 24.292 -0.282 5.625 1.00 53.20 C ATOM 1421 SD MET A 96 24.983 0.907 4.459 1.00 2.11 S ATOM 1422 CE MET A 96 26.353 -0.033 3.790 1.00 42.33 C ATOM 0 H MET A 96 26.652 -2.148 8.525 1.00 40.13 H new ATOM 0 HA MET A 96 23.864 -1.311 7.970 1.00 11.42 H new ATOM 0 HB2 MET A 96 26.043 -0.213 6.852 1.00 71.52 H new ATOM 0 HB3 MET A 96 25.942 -1.629 5.825 1.00 71.52 H new ATOM 0 HG2 MET A 96 23.727 -1.036 5.077 1.00 53.20 H new ATOM 0 HG3 MET A 96 23.589 0.228 6.284 1.00 53.20 H new ATOM 0 HE1 MET A 96 26.794 0.511 2.954 1.00 42.33 H new ATOM 0 HE2 MET A 96 27.106 -0.180 4.564 1.00 42.33 H new ATOM 0 HE3 MET A 96 25.994 -1.002 3.444 1.00 42.33 H new ATOM 1432 N VAL A 97 23.309 -3.383 6.583 1.00 22.20 N ATOM 1433 CA VAL A 97 22.894 -4.696 6.103 1.00 22.04 C ATOM 1434 C VAL A 97 23.383 -4.941 4.680 1.00 1.13 C ATOM 1435 O VAL A 97 23.288 -4.064 3.822 1.00 63.40 O ATOM 1436 CB VAL A 97 21.362 -4.849 6.142 1.00 61.04 C ATOM 1437 CG1 VAL A 97 20.862 -4.856 7.578 1.00 73.40 C ATOM 1438 CG2 VAL A 97 20.696 -3.739 5.342 1.00 61.40 C ATOM 0 H VAL A 97 22.629 -2.640 6.419 1.00 22.20 H new ATOM 0 HA VAL A 97 23.342 -5.433 6.769 1.00 22.04 H new ATOM 0 HB VAL A 97 21.098 -5.803 5.687 1.00 61.04 H new ATOM 0 HG11 VAL A 97 19.777 -4.965 7.585 1.00 73.40 H new ATOM 0 HG12 VAL A 97 21.314 -5.689 8.117 1.00 73.40 H new ATOM 0 HG13 VAL A 97 21.136 -3.919 8.063 1.00 73.40 H new ATOM 0 HG21 VAL A 97 19.614 -3.862 5.380 1.00 61.40 H new ATOM 0 HG22 VAL A 97 20.966 -2.772 5.766 1.00 61.40 H new ATOM 0 HG23 VAL A 97 21.030 -3.787 4.306 1.00 61.40 H new