USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=12 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= -1.14 K(o=-0.8,f=-4!) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0.335 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -151:sc= -0.131 (180deg=-0.558) USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.126 (180deg=-0.732) USER MOD Single : A 45 SER OG : rot -64:sc= 0.112 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 77:sc= 1.25 USER MOD Single : A 57 CYS SG : rot 97:sc= -0.781 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= -0.111 K(o=-0.11,f=-1.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.24 K(o=-0.24,f=-4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 79 THR OG1 : rot -45:sc= 0.978 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -170:sc= -0.464 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 298 N ALA A 25 47.719 1.378 24.315 1.00 34.41 N ATOM 299 CA ALA A 25 46.545 1.547 23.467 1.00 21.32 C ATOM 300 C ALA A 25 45.315 1.900 24.296 1.00 0.03 C ATOM 301 O ALA A 25 44.800 1.070 25.046 1.00 34.22 O ATOM 302 CB ALA A 25 46.293 0.284 22.657 1.00 31.41 C ATOM 0 HA ALA A 25 46.738 2.373 22.782 1.00 21.32 H new ATOM 0 HB1 ALA A 25 45.414 0.424 22.028 1.00 31.41 H new ATOM 0 HB2 ALA A 25 47.159 0.076 22.028 1.00 31.41 H new ATOM 0 HB3 ALA A 25 46.126 -0.554 23.333 1.00 31.41 H new ATOM 308 N LEU A 26 44.849 3.136 24.158 1.00 43.33 N ATOM 309 CA LEU A 26 43.679 3.600 24.895 1.00 0.20 C ATOM 310 C LEU A 26 42.778 4.451 24.006 1.00 13.44 C ATOM 311 O LEU A 26 43.158 5.543 23.583 1.00 53.10 O ATOM 312 CB LEU A 26 44.111 4.405 26.122 1.00 31.44 C ATOM 313 CG LEU A 26 45.377 3.921 26.831 1.00 72.25 C ATOM 314 CD1 LEU A 26 46.605 4.616 26.263 1.00 14.45 C ATOM 315 CD2 LEU A 26 45.273 4.157 28.330 1.00 15.41 C ATOM 0 H LEU A 26 45.264 3.835 23.542 1.00 43.33 H new ATOM 0 HA LEU A 26 43.116 2.726 25.221 1.00 0.20 H new ATOM 0 HB2 LEU A 26 44.263 5.441 25.817 1.00 31.44 H new ATOM 0 HB3 LEU A 26 43.292 4.401 26.841 1.00 31.44 H new ATOM 0 HG LEU A 26 45.479 2.849 26.660 1.00 72.25 H new ATOM 0 HD11 LEU A 26 47.496 4.259 26.779 1.00 14.45 H new ATOM 0 HD12 LEU A 26 46.689 4.395 25.199 1.00 14.45 H new ATOM 0 HD13 LEU A 26 46.511 5.693 26.403 1.00 14.45 H new ATOM 0 HD21 LEU A 26 46.183 3.806 28.817 1.00 15.41 H new ATOM 0 HD22 LEU A 26 45.145 5.222 28.523 1.00 15.41 H new ATOM 0 HD23 LEU A 26 44.416 3.612 28.726 1.00 15.41 H new ATOM 327 N VAL A 27 41.580 3.945 23.729 1.00 43.20 N ATOM 328 CA VAL A 27 40.623 4.660 22.894 1.00 51.24 C ATOM 329 C VAL A 27 39.192 4.394 23.346 1.00 32.54 C ATOM 330 O VAL A 27 38.871 3.302 23.815 1.00 64.54 O ATOM 331 CB VAL A 27 40.764 4.262 21.412 1.00 14.43 C ATOM 332 CG1 VAL A 27 42.227 4.251 20.999 1.00 43.52 C ATOM 333 CG2 VAL A 27 40.120 2.907 21.162 1.00 62.13 C ATOM 0 H VAL A 27 41.250 3.043 24.071 1.00 43.20 H new ATOM 0 HA VAL A 27 40.843 5.722 23.000 1.00 51.24 H new ATOM 0 HB VAL A 27 40.246 5.003 20.803 1.00 14.43 H new ATOM 0 HG11 VAL A 27 42.307 3.968 19.949 1.00 43.52 H new ATOM 0 HG12 VAL A 27 42.652 5.245 21.140 1.00 43.52 H new ATOM 0 HG13 VAL A 27 42.772 3.533 21.611 1.00 43.52 H new ATOM 0 HG21 VAL A 27 40.229 2.641 20.111 1.00 62.13 H new ATOM 0 HG22 VAL A 27 40.608 2.153 21.779 1.00 62.13 H new ATOM 0 HG23 VAL A 27 39.061 2.955 21.417 1.00 62.13 H new ATOM 343 N ALA A 28 38.335 5.399 23.203 1.00 75.00 N ATOM 344 CA ALA A 28 36.936 5.272 23.595 1.00 43.52 C ATOM 345 C ALA A 28 36.036 5.115 22.374 1.00 41.40 C ATOM 346 O ALA A 28 36.242 5.767 21.350 1.00 2.21 O ATOM 347 CB ALA A 28 36.508 6.478 24.417 1.00 15.54 C ATOM 0 H ALA A 28 38.584 6.310 22.819 1.00 75.00 H new ATOM 0 HA ALA A 28 36.835 4.375 24.206 1.00 43.52 H new ATOM 0 HB1 ALA A 28 35.462 6.371 24.703 1.00 15.54 H new ATOM 0 HB2 ALA A 28 37.124 6.545 25.314 1.00 15.54 H new ATOM 0 HB3 ALA A 28 36.631 7.384 23.824 1.00 15.54 H new ATOM 353 N VAL A 29 35.037 4.246 22.489 1.00 64.32 N ATOM 354 CA VAL A 29 34.105 4.003 21.394 1.00 1.33 C ATOM 355 C VAL A 29 32.668 4.274 21.826 1.00 23.00 C ATOM 356 O VAL A 29 32.301 4.048 22.979 1.00 24.33 O ATOM 357 CB VAL A 29 34.210 2.556 20.878 1.00 43.13 C ATOM 358 CG1 VAL A 29 33.253 2.332 19.717 1.00 41.41 C ATOM 359 CG2 VAL A 29 35.641 2.240 20.468 1.00 32.43 C ATOM 0 H VAL A 29 34.852 3.698 23.329 1.00 64.32 H new ATOM 0 HA VAL A 29 34.375 4.688 20.590 1.00 1.33 H new ATOM 0 HB VAL A 29 33.929 1.879 21.685 1.00 43.13 H new ATOM 0 HG11 VAL A 29 33.341 1.304 19.366 1.00 41.41 H new ATOM 0 HG12 VAL A 29 32.231 2.516 20.047 1.00 41.41 H new ATOM 0 HG13 VAL A 29 33.500 3.015 18.905 1.00 41.41 H new ATOM 0 HG21 VAL A 29 35.697 1.213 20.106 1.00 32.43 H new ATOM 0 HG22 VAL A 29 35.952 2.922 19.676 1.00 32.43 H new ATOM 0 HG23 VAL A 29 36.300 2.358 21.328 1.00 32.43 H new ATOM 369 N LYS A 30 31.857 4.760 20.892 1.00 24.23 N ATOM 370 CA LYS A 30 30.459 5.061 21.174 1.00 72.41 C ATOM 371 C LYS A 30 29.556 4.545 20.058 1.00 71.21 C ATOM 372 O LYS A 30 29.635 5.006 18.919 1.00 34.31 O ATOM 373 CB LYS A 30 30.265 6.569 21.345 1.00 34.25 C ATOM 374 CG LYS A 30 30.743 7.383 20.156 1.00 71.13 C ATOM 375 CD LYS A 30 31.055 8.817 20.550 1.00 33.32 C ATOM 376 CE LYS A 30 29.785 9.633 20.733 1.00 55.45 C ATOM 377 NZ LYS A 30 30.073 11.090 20.845 1.00 40.01 N ATOM 0 H LYS A 30 32.145 4.954 19.933 1.00 24.23 H new ATOM 0 HA LYS A 30 30.185 4.558 22.101 1.00 72.41 H new ATOM 0 HB2 LYS A 30 29.208 6.774 21.513 1.00 34.25 H new ATOM 0 HB3 LYS A 30 30.799 6.897 22.237 1.00 34.25 H new ATOM 0 HG2 LYS A 30 31.634 6.920 19.731 1.00 71.13 H new ATOM 0 HG3 LYS A 30 29.979 7.376 19.379 1.00 71.13 H new ATOM 0 HD2 LYS A 30 31.630 8.824 21.476 1.00 33.32 H new ATOM 0 HD3 LYS A 30 31.678 9.279 19.784 1.00 33.32 H new ATOM 0 HE2 LYS A 30 29.117 9.459 19.890 1.00 55.45 H new ATOM 0 HE3 LYS A 30 29.263 9.296 21.628 1.00 55.45 H new ATOM 0 HZ1 LYS A 30 29.182 11.612 20.969 1.00 40.01 H new ATOM 0 HZ2 LYS A 30 30.690 11.260 21.665 1.00 40.01 H new ATOM 0 HZ3 LYS A 30 30.548 11.417 19.980 1.00 40.01 H new ATOM 391 N VAL A 31 28.697 3.587 20.392 1.00 24.35 N ATOM 392 CA VAL A 31 27.778 3.010 19.419 1.00 14.31 C ATOM 393 C VAL A 31 26.412 3.684 19.488 1.00 74.22 C ATOM 394 O VAL A 31 25.785 3.735 20.546 1.00 4.54 O ATOM 395 CB VAL A 31 27.603 1.496 19.640 1.00 12.02 C ATOM 396 CG1 VAL A 31 26.614 0.921 18.638 1.00 34.42 C ATOM 397 CG2 VAL A 31 28.945 0.786 19.545 1.00 34.22 C ATOM 0 H VAL A 31 28.619 3.194 21.330 1.00 24.35 H new ATOM 0 HA VAL A 31 28.214 3.177 18.434 1.00 14.31 H new ATOM 0 HB VAL A 31 27.203 1.336 20.641 1.00 12.02 H new ATOM 0 HG11 VAL A 31 26.503 -0.150 18.810 1.00 34.42 H new ATOM 0 HG12 VAL A 31 25.647 1.410 18.759 1.00 34.42 H new ATOM 0 HG13 VAL A 31 26.982 1.090 17.626 1.00 34.42 H new ATOM 0 HG21 VAL A 31 28.803 -0.283 19.704 1.00 34.22 H new ATOM 0 HG22 VAL A 31 29.376 0.952 18.558 1.00 34.22 H new ATOM 0 HG23 VAL A 31 29.619 1.179 20.306 1.00 34.22 H new ATOM 407 N VAL A 32 25.954 4.199 18.351 1.00 2.31 N ATOM 408 CA VAL A 32 24.661 4.869 18.281 1.00 31.12 C ATOM 409 C VAL A 32 23.712 4.134 17.342 1.00 75.41 C ATOM 410 O VAL A 32 24.145 3.439 16.424 1.00 60.11 O ATOM 411 CB VAL A 32 24.809 6.327 17.806 1.00 34.43 C ATOM 412 CG1 VAL A 32 25.715 7.106 18.747 1.00 33.33 C ATOM 413 CG2 VAL A 32 25.341 6.371 16.382 1.00 53.21 C ATOM 0 H VAL A 32 26.460 4.165 17.466 1.00 2.31 H new ATOM 0 HA VAL A 32 24.247 4.864 19.289 1.00 31.12 H new ATOM 0 HB VAL A 32 23.825 6.796 17.817 1.00 34.43 H new ATOM 0 HG11 VAL A 32 25.808 8.134 18.395 1.00 33.33 H new ATOM 0 HG12 VAL A 32 25.287 7.103 19.750 1.00 33.33 H new ATOM 0 HG13 VAL A 32 26.700 6.641 18.771 1.00 33.33 H new ATOM 0 HG21 VAL A 32 25.439 7.408 16.062 1.00 53.21 H new ATOM 0 HG22 VAL A 32 26.316 5.885 16.343 1.00 53.21 H new ATOM 0 HG23 VAL A 32 24.649 5.851 15.719 1.00 53.21 H new ATOM 423 N ASN A 33 22.413 4.292 17.578 1.00 3.33 N ATOM 424 CA ASN A 33 21.401 3.643 16.753 1.00 41.20 C ATOM 425 C ASN A 33 20.377 4.656 16.251 1.00 40.43 C ATOM 426 O ASN A 33 20.145 5.686 16.884 1.00 62.21 O ATOM 427 CB ASN A 33 20.697 2.540 17.546 1.00 43.01 C ATOM 428 CG ASN A 33 21.651 1.447 17.987 1.00 61.41 C ATOM 429 OD1 ASN A 33 22.840 1.480 17.671 1.00 45.31 O ATOM 430 ND2 ASN A 33 21.132 0.469 18.721 1.00 12.51 N ATOM 0 H ASN A 33 22.037 4.864 18.334 1.00 3.33 H new ATOM 0 HA ASN A 33 21.900 3.200 15.891 1.00 41.20 H new ATOM 0 HB2 ASN A 33 20.218 2.976 18.423 1.00 43.01 H new ATOM 0 HB3 ASN A 33 19.907 2.104 16.934 1.00 43.01 H new ATOM 0 HD21 ASN A 33 21.725 -0.295 19.046 1.00 12.51 H new ATOM 0 HD22 ASN A 33 20.140 0.482 18.960 1.00 12.51 H new ATOM 437 N ALA A 34 19.767 4.356 15.109 1.00 52.31 N ATOM 438 CA ALA A 34 18.766 5.239 14.523 1.00 73.11 C ATOM 439 C ALA A 34 17.633 5.513 15.506 1.00 54.11 C ATOM 440 O ALA A 34 16.951 6.534 15.413 1.00 72.11 O ATOM 441 CB ALA A 34 18.218 4.636 13.238 1.00 72.12 C ATOM 0 H ALA A 34 19.948 3.508 14.571 1.00 52.31 H new ATOM 0 HA ALA A 34 19.247 6.189 14.290 1.00 73.11 H new ATOM 0 HB1 ALA A 34 17.472 5.306 12.811 1.00 72.12 H new ATOM 0 HB2 ALA A 34 19.031 4.498 12.525 1.00 72.12 H new ATOM 0 HB3 ALA A 34 17.758 3.672 13.456 1.00 72.12 H new ATOM 447 N ASP A 35 17.437 4.596 16.446 1.00 33.53 N ATOM 448 CA ASP A 35 16.386 4.739 17.447 1.00 32.22 C ATOM 449 C ASP A 35 16.791 5.744 18.521 1.00 42.14 C ATOM 450 O ASP A 35 15.941 6.350 19.171 1.00 54.00 O ATOM 451 CB ASP A 35 16.076 3.386 18.089 1.00 34.33 C ATOM 452 CG ASP A 35 14.628 2.976 17.906 1.00 54.14 C ATOM 453 OD1 ASP A 35 14.209 2.779 16.745 1.00 31.04 O ATOM 454 OD2 ASP A 35 13.913 2.852 18.922 1.00 21.10 O ATOM 0 H ASP A 35 17.992 3.745 16.536 1.00 33.53 H new ATOM 0 HA ASP A 35 15.491 5.109 16.947 1.00 32.22 H new ATOM 0 HB2 ASP A 35 16.724 2.624 17.655 1.00 34.33 H new ATOM 0 HB3 ASP A 35 16.306 3.431 19.154 1.00 34.33 H new ATOM 459 N GLY A 36 18.097 5.915 18.701 1.00 4.32 N ATOM 460 CA GLY A 36 18.593 6.847 19.698 1.00 73.04 C ATOM 461 C GLY A 36 19.459 6.172 20.743 1.00 72.04 C ATOM 462 O GLY A 36 20.461 6.733 21.184 1.00 64.32 O ATOM 0 H GLY A 36 18.821 5.425 18.175 1.00 4.32 H new ATOM 0 HA2 GLY A 36 19.169 7.630 19.204 1.00 73.04 H new ATOM 0 HA3 GLY A 36 17.749 7.333 20.188 1.00 73.04 H new ATOM 466 N ALA A 37 19.070 4.965 21.141 1.00 65.01 N ATOM 467 CA ALA A 37 19.819 4.213 22.140 1.00 32.13 C ATOM 468 C ALA A 37 21.288 4.093 21.750 1.00 21.33 C ATOM 469 O ALA A 37 21.616 3.566 20.687 1.00 10.45 O ATOM 470 CB ALA A 37 19.207 2.833 22.330 1.00 15.02 C ATOM 0 H ALA A 37 18.241 4.487 20.787 1.00 65.01 H new ATOM 0 HA ALA A 37 19.764 4.756 23.084 1.00 32.13 H new ATOM 0 HB1 ALA A 37 19.776 2.282 23.079 1.00 15.02 H new ATOM 0 HB2 ALA A 37 18.174 2.936 22.663 1.00 15.02 H new ATOM 0 HB3 ALA A 37 19.231 2.291 21.385 1.00 15.02 H new ATOM 476 N GLU A 38 22.168 4.585 22.617 1.00 31.41 N ATOM 477 CA GLU A 38 23.603 4.533 22.361 1.00 75.12 C ATOM 478 C GLU A 38 24.377 4.280 23.651 1.00 11.22 C ATOM 479 O GLU A 38 23.845 4.445 24.749 1.00 44.43 O ATOM 480 CB GLU A 38 24.075 5.838 21.717 1.00 64.35 C ATOM 481 CG GLU A 38 23.908 7.054 22.612 1.00 43.03 C ATOM 482 CD GLU A 38 23.284 8.230 21.887 1.00 52.50 C ATOM 483 OE1 GLU A 38 23.455 8.327 20.654 1.00 74.01 O ATOM 484 OE2 GLU A 38 22.624 9.055 22.554 1.00 73.31 O ATOM 0 H GLU A 38 21.913 5.024 23.502 1.00 31.41 H new ATOM 0 HA GLU A 38 23.795 3.707 21.676 1.00 75.12 H new ATOM 0 HB2 GLU A 38 25.126 5.740 21.445 1.00 64.35 H new ATOM 0 HB3 GLU A 38 23.520 5.999 20.793 1.00 64.35 H new ATOM 0 HG2 GLU A 38 23.287 6.788 23.468 1.00 43.03 H new ATOM 0 HG3 GLU A 38 24.882 7.349 23.004 1.00 43.03 H new ATOM 491 N MET A 39 25.636 3.878 23.510 1.00 73.03 N ATOM 492 CA MET A 39 26.484 3.603 24.664 1.00 71.23 C ATOM 493 C MET A 39 27.950 3.863 24.335 1.00 65.12 C ATOM 494 O MET A 39 28.469 3.369 23.333 1.00 3.23 O ATOM 495 CB MET A 39 26.301 2.155 25.124 1.00 3.42 C ATOM 496 CG MET A 39 26.779 1.130 24.109 1.00 72.21 C ATOM 497 SD MET A 39 26.420 -0.564 24.612 1.00 62.25 S ATOM 498 CE MET A 39 28.039 -1.107 25.152 1.00 63.24 C ATOM 0 H MET A 39 26.091 3.736 22.608 1.00 73.03 H new ATOM 0 HA MET A 39 26.187 4.273 25.471 1.00 71.23 H new ATOM 0 HB2 MET A 39 26.842 2.008 26.059 1.00 3.42 H new ATOM 0 HB3 MET A 39 25.246 1.980 25.336 1.00 3.42 H new ATOM 0 HG2 MET A 39 26.305 1.328 23.148 1.00 72.21 H new ATOM 0 HG3 MET A 39 27.853 1.242 23.964 1.00 72.21 H new ATOM 0 HE1 MET A 39 28.130 -2.183 25.003 1.00 63.24 H new ATOM 0 HE2 MET A 39 28.807 -0.594 24.573 1.00 63.24 H new ATOM 0 HE3 MET A 39 28.167 -0.875 26.209 1.00 63.24 H new ATOM 508 N PHE A 40 28.614 4.641 25.184 1.00 53.14 N ATOM 509 CA PHE A 40 30.021 4.968 24.982 1.00 75.40 C ATOM 510 C PHE A 40 30.851 4.570 26.199 1.00 51.40 C ATOM 511 O PHE A 40 30.414 4.723 27.340 1.00 54.23 O ATOM 512 CB PHE A 40 30.184 6.463 24.705 1.00 42.40 C ATOM 513 CG PHE A 40 29.924 7.327 25.906 1.00 50.43 C ATOM 514 CD1 PHE A 40 28.632 7.703 26.238 1.00 5.34 C ATOM 515 CD2 PHE A 40 30.971 7.763 26.702 1.00 13.21 C ATOM 516 CE1 PHE A 40 28.391 8.499 27.342 1.00 35.13 C ATOM 517 CE2 PHE A 40 30.735 8.559 27.808 1.00 73.34 C ATOM 518 CZ PHE A 40 29.443 8.926 28.129 1.00 53.15 C ATOM 0 H PHE A 40 28.200 5.057 26.018 1.00 53.14 H new ATOM 0 HA PHE A 40 30.380 4.405 24.120 1.00 75.40 H new ATOM 0 HB2 PHE A 40 31.196 6.650 24.345 1.00 42.40 H new ATOM 0 HB3 PHE A 40 29.503 6.753 23.905 1.00 42.40 H new ATOM 0 HD1 PHE A 40 27.805 7.371 25.628 1.00 5.34 H new ATOM 0 HD2 PHE A 40 31.983 7.478 26.456 1.00 13.21 H new ATOM 0 HE1 PHE A 40 27.380 8.787 27.589 1.00 35.13 H new ATOM 0 HE2 PHE A 40 31.560 8.893 28.420 1.00 73.34 H new ATOM 0 HZ PHE A 40 29.255 9.546 28.994 1.00 53.15 H new ATOM 528 N PHE A 41 32.051 4.059 25.947 1.00 4.13 N ATOM 529 CA PHE A 41 32.943 3.638 27.021 1.00 25.12 C ATOM 530 C PHE A 41 34.389 3.578 26.536 1.00 72.44 C ATOM 531 O PHE A 41 34.649 3.513 25.334 1.00 11.10 O ATOM 532 CB PHE A 41 32.517 2.271 27.560 1.00 23.13 C ATOM 533 CG PHE A 41 32.793 2.092 29.026 1.00 63.21 C ATOM 534 CD1 PHE A 41 32.076 2.806 29.972 1.00 51.22 C ATOM 535 CD2 PHE A 41 33.771 1.209 29.457 1.00 15.45 C ATOM 536 CE1 PHE A 41 32.327 2.643 31.321 1.00 1.52 C ATOM 537 CE2 PHE A 41 34.026 1.042 30.805 1.00 12.34 C ATOM 538 CZ PHE A 41 33.304 1.761 31.738 1.00 1.14 C ATOM 0 H PHE A 41 32.428 3.926 25.009 1.00 4.13 H new ATOM 0 HA PHE A 41 32.878 4.374 27.823 1.00 25.12 H new ATOM 0 HB2 PHE A 41 31.451 2.135 27.380 1.00 23.13 H new ATOM 0 HB3 PHE A 41 33.037 1.492 27.003 1.00 23.13 H new ATOM 0 HD1 PHE A 41 31.312 3.498 29.651 1.00 51.22 H new ATOM 0 HD2 PHE A 41 34.340 0.646 28.732 1.00 15.45 H new ATOM 0 HE1 PHE A 41 31.760 3.205 32.048 1.00 1.52 H new ATOM 0 HE2 PHE A 41 34.789 0.350 31.129 1.00 12.34 H new ATOM 0 HZ PHE A 41 33.503 1.633 32.792 1.00 1.14 H new ATOM 548 N ARG A 42 35.325 3.600 27.479 1.00 71.33 N ATOM 549 CA ARG A 42 36.744 3.549 27.148 1.00 51.51 C ATOM 550 C ARG A 42 37.264 2.116 27.201 1.00 61.02 C ATOM 551 O ARG A 42 36.860 1.330 28.058 1.00 11.02 O ATOM 552 CB ARG A 42 37.545 4.430 28.109 1.00 71.21 C ATOM 553 CG ARG A 42 38.837 4.964 27.512 1.00 14.42 C ATOM 554 CD ARG A 42 39.323 6.200 28.253 1.00 52.30 C ATOM 555 NE ARG A 42 40.666 6.019 28.797 1.00 41.32 N ATOM 556 CZ ARG A 42 41.411 7.016 29.262 1.00 30.21 C ATOM 557 NH1 ARG A 42 40.946 8.257 29.250 1.00 14.33 N ATOM 558 NH2 ARG A 42 42.624 6.771 29.741 1.00 0.42 N ATOM 0 H ARG A 42 35.126 3.653 28.478 1.00 71.33 H new ATOM 0 HA ARG A 42 36.868 3.924 26.132 1.00 51.51 H new ATOM 0 HB2 ARG A 42 36.925 5.270 28.421 1.00 71.21 H new ATOM 0 HB3 ARG A 42 37.779 3.856 29.006 1.00 71.21 H new ATOM 0 HG2 ARG A 42 39.604 4.190 27.550 1.00 14.42 H new ATOM 0 HG3 ARG A 42 38.681 5.206 26.461 1.00 14.42 H new ATOM 0 HD2 ARG A 42 39.318 7.054 27.576 1.00 52.30 H new ATOM 0 HD3 ARG A 42 38.632 6.432 29.063 1.00 52.30 H new ATOM 0 HE ARG A 42 41.053 5.076 28.821 1.00 41.32 H new ATOM 0 HH11 ARG A 42 40.014 8.449 28.883 1.00 14.33 H new ATOM 0 HH12 ARG A 42 41.520 9.020 29.608 1.00 14.33 H new ATOM 0 HH21 ARG A 42 42.985 5.817 29.752 1.00 0.42 H new ATOM 0 HH22 ARG A 42 43.196 7.537 30.098 1.00 0.42 H new ATOM 572 N ILE A 43 38.161 1.783 26.279 1.00 4.30 N ATOM 573 CA ILE A 43 38.737 0.445 26.221 1.00 14.25 C ATOM 574 C ILE A 43 40.043 0.442 25.435 1.00 72.34 C ATOM 575 O ILE A 43 40.310 1.351 24.649 1.00 52.13 O ATOM 576 CB ILE A 43 37.761 -0.560 25.580 1.00 4.32 C ATOM 577 CG1 ILE A 43 38.197 -1.994 25.888 1.00 43.22 C ATOM 578 CG2 ILE A 43 37.682 -0.335 24.078 1.00 74.24 C ATOM 579 CD1 ILE A 43 37.078 -3.005 25.766 1.00 4.53 C ATOM 0 H ILE A 43 38.505 2.422 25.562 1.00 4.30 H new ATOM 0 HA ILE A 43 38.935 0.141 27.249 1.00 14.25 H new ATOM 0 HB ILE A 43 36.769 -0.403 26.004 1.00 4.32 H new ATOM 0 HG12 ILE A 43 39.004 -2.273 25.210 1.00 43.22 H new ATOM 0 HG13 ILE A 43 38.602 -2.033 26.899 1.00 43.22 H new ATOM 0 HG21 ILE A 43 36.989 -1.052 23.639 1.00 74.24 H new ATOM 0 HG22 ILE A 43 37.331 0.678 23.880 1.00 74.24 H new ATOM 0 HG23 ILE A 43 38.670 -0.469 23.638 1.00 74.24 H new ATOM 0 HD11 ILE A 43 37.459 -3.999 25.998 1.00 4.53 H new ATOM 0 HD12 ILE A 43 36.280 -2.750 26.463 1.00 4.53 H new ATOM 0 HD13 ILE A 43 36.688 -2.995 24.748 1.00 4.53 H new ATOM 591 N LYS A 44 40.854 -0.589 25.650 1.00 52.54 N ATOM 592 CA LYS A 44 42.132 -0.714 24.959 1.00 72.00 C ATOM 593 C LYS A 44 41.943 -0.638 23.447 1.00 0.22 C ATOM 594 O LYS A 44 41.052 -1.278 22.890 1.00 34.55 O ATOM 595 CB LYS A 44 42.810 -2.034 25.333 1.00 34.11 C ATOM 596 CG LYS A 44 43.431 -2.027 26.719 1.00 64.22 C ATOM 597 CD LYS A 44 44.943 -1.892 26.651 1.00 43.31 C ATOM 598 CE LYS A 44 45.510 -1.318 27.941 1.00 50.15 C ATOM 599 NZ LYS A 44 45.000 0.055 28.208 1.00 51.43 N ATOM 0 H LYS A 44 40.649 -1.350 26.297 1.00 52.54 H new ATOM 0 HA LYS A 44 42.768 0.115 25.270 1.00 72.00 H new ATOM 0 HB2 LYS A 44 42.077 -2.838 25.277 1.00 34.11 H new ATOM 0 HB3 LYS A 44 43.584 -2.256 24.598 1.00 34.11 H new ATOM 0 HG2 LYS A 44 43.017 -1.203 27.300 1.00 64.22 H new ATOM 0 HG3 LYS A 44 43.170 -2.948 27.240 1.00 64.22 H new ATOM 0 HD2 LYS A 44 45.388 -2.868 26.459 1.00 43.31 H new ATOM 0 HD3 LYS A 44 45.215 -1.248 25.815 1.00 43.31 H new ATOM 0 HE2 LYS A 44 45.250 -1.971 28.774 1.00 50.15 H new ATOM 0 HE3 LYS A 44 46.598 -1.296 27.881 1.00 50.15 H new ATOM 0 HZ1 LYS A 44 45.679 0.567 28.807 1.00 51.43 H new ATOM 0 HZ2 LYS A 44 44.881 0.562 27.308 1.00 51.43 H new ATOM 0 HZ3 LYS A 44 44.084 -0.004 28.696 1.00 51.43 H new ATOM 613 N SER A 45 42.789 0.148 22.789 1.00 54.33 N ATOM 614 CA SER A 45 42.713 0.310 21.341 1.00 21.44 C ATOM 615 C SER A 45 42.835 -1.038 20.637 1.00 24.44 C ATOM 616 O SER A 45 42.188 -1.280 19.619 1.00 50.14 O ATOM 617 CB SER A 45 43.814 1.254 20.854 1.00 33.01 C ATOM 618 OG SER A 45 43.409 1.949 19.687 1.00 4.34 O ATOM 0 H SER A 45 43.535 0.682 23.235 1.00 54.33 H new ATOM 0 HA SER A 45 41.742 0.741 21.098 1.00 21.44 H new ATOM 0 HB2 SER A 45 44.059 1.968 21.640 1.00 33.01 H new ATOM 0 HB3 SER A 45 44.720 0.685 20.646 1.00 33.01 H new ATOM 0 HG SER A 45 43.278 1.311 18.955 1.00 4.34 H new ATOM 624 N ARG A 46 43.671 -1.913 21.189 1.00 54.03 N ATOM 625 CA ARG A 46 43.880 -3.236 20.614 1.00 73.40 C ATOM 626 C ARG A 46 42.555 -3.977 20.457 1.00 13.33 C ATOM 627 O ARG A 46 42.423 -4.866 19.616 1.00 61.40 O ATOM 628 CB ARG A 46 44.831 -4.052 21.491 1.00 22.11 C ATOM 629 CG ARG A 46 45.222 -5.390 20.885 1.00 31.22 C ATOM 630 CD ARG A 46 45.839 -5.218 19.506 1.00 20.20 C ATOM 631 NE ARG A 46 46.420 -6.462 19.007 1.00 13.03 N ATOM 632 CZ ARG A 46 47.534 -6.999 19.492 1.00 41.25 C ATOM 633 NH1 ARG A 46 48.184 -6.404 20.482 1.00 23.12 N ATOM 634 NH2 ARG A 46 48.000 -8.133 18.985 1.00 30.30 N ATOM 0 H ARG A 46 44.214 -1.729 22.033 1.00 54.03 H new ATOM 0 HA ARG A 46 44.325 -3.109 19.627 1.00 73.40 H new ATOM 0 HB2 ARG A 46 45.733 -3.468 21.675 1.00 22.11 H new ATOM 0 HB3 ARG A 46 44.361 -4.225 22.459 1.00 22.11 H new ATOM 0 HG2 ARG A 46 45.931 -5.895 21.541 1.00 31.22 H new ATOM 0 HG3 ARG A 46 44.342 -6.029 20.814 1.00 31.22 H new ATOM 0 HD2 ARG A 46 45.077 -4.869 18.809 1.00 20.20 H new ATOM 0 HD3 ARG A 46 46.610 -4.449 19.547 1.00 20.20 H new ATOM 0 HE ARG A 46 45.944 -6.945 18.245 1.00 13.03 H new ATOM 0 HH11 ARG A 46 47.829 -5.532 20.873 1.00 23.12 H new ATOM 0 HH12 ARG A 46 49.039 -6.819 20.852 1.00 23.12 H new ATOM 0 HH21 ARG A 46 47.503 -8.593 18.222 1.00 30.30 H new ATOM 0 HH22 ARG A 46 48.855 -8.545 19.358 1.00 30.30 H new ATOM 648 N THR A 47 41.574 -3.604 21.274 1.00 50.43 N ATOM 649 CA THR A 47 40.260 -4.233 21.227 1.00 1.54 C ATOM 650 C THR A 47 39.175 -3.274 21.704 1.00 33.21 C ATOM 651 O THR A 47 39.082 -2.968 22.892 1.00 30.14 O ATOM 652 CB THR A 47 40.217 -5.508 22.089 1.00 22.45 C ATOM 653 OG1 THR A 47 38.869 -5.976 22.206 1.00 52.11 O ATOM 654 CG2 THR A 47 40.789 -5.245 23.474 1.00 24.32 C ATOM 0 H THR A 47 41.665 -2.870 21.976 1.00 50.43 H new ATOM 0 HA THR A 47 40.074 -4.500 20.187 1.00 1.54 H new ATOM 0 HB THR A 47 40.825 -6.270 21.601 1.00 22.45 H new ATOM 0 HG1 THR A 47 38.851 -6.788 22.754 1.00 52.11 H new ATOM 0 HG21 THR A 47 40.748 -6.160 24.064 1.00 24.32 H new ATOM 0 HG22 THR A 47 41.825 -4.918 23.384 1.00 24.32 H new ATOM 0 HG23 THR A 47 40.205 -4.468 23.967 1.00 24.32 H new ATOM 662 N ALA A 48 38.355 -2.804 20.770 1.00 71.03 N ATOM 663 CA ALA A 48 37.274 -1.882 21.096 1.00 73.34 C ATOM 664 C ALA A 48 36.003 -2.235 20.331 1.00 55.23 C ATOM 665 O ALA A 48 34.986 -2.592 20.927 1.00 33.11 O ATOM 666 CB ALA A 48 37.693 -0.451 20.796 1.00 55.41 C ATOM 0 H ALA A 48 38.419 -3.047 19.781 1.00 71.03 H new ATOM 0 HA ALA A 48 37.062 -1.971 22.161 1.00 73.34 H new ATOM 0 HB1 ALA A 48 36.876 0.227 21.044 1.00 55.41 H new ATOM 0 HB2 ALA A 48 38.570 -0.196 21.391 1.00 55.41 H new ATOM 0 HB3 ALA A 48 37.934 -0.357 19.737 1.00 55.41 H new ATOM 672 N LEU A 49 36.066 -2.132 19.008 1.00 51.52 N ATOM 673 CA LEU A 49 34.919 -2.439 18.161 1.00 71.15 C ATOM 674 C LEU A 49 34.577 -3.924 18.225 1.00 33.12 C ATOM 675 O LEU A 49 33.423 -4.315 18.046 1.00 61.22 O ATOM 676 CB LEU A 49 35.205 -2.032 16.714 1.00 72.41 C ATOM 677 CG LEU A 49 34.216 -1.050 16.085 1.00 71.53 C ATOM 678 CD1 LEU A 49 32.785 -1.501 16.334 1.00 51.14 C ATOM 679 CD2 LEU A 49 34.438 0.353 16.630 1.00 32.20 C ATOM 0 H LEU A 49 36.899 -1.838 18.499 1.00 51.52 H new ATOM 0 HA LEU A 49 34.064 -1.872 18.530 1.00 71.15 H new ATOM 0 HB2 LEU A 49 36.201 -1.591 16.672 1.00 72.41 H new ATOM 0 HB3 LEU A 49 35.230 -2.934 16.102 1.00 72.41 H new ATOM 0 HG LEU A 49 34.387 -1.031 15.009 1.00 71.53 H new ATOM 0 HD11 LEU A 49 32.095 -0.790 15.879 1.00 51.14 H new ATOM 0 HD12 LEU A 49 32.632 -2.487 15.894 1.00 51.14 H new ATOM 0 HD13 LEU A 49 32.600 -1.550 17.407 1.00 51.14 H new ATOM 0 HD21 LEU A 49 33.725 1.038 16.171 1.00 32.20 H new ATOM 0 HD22 LEU A 49 34.295 0.350 17.711 1.00 32.20 H new ATOM 0 HD23 LEU A 49 35.453 0.677 16.399 1.00 32.20 H new ATOM 691 N LYS A 50 35.586 -4.748 18.485 1.00 45.23 N ATOM 692 CA LYS A 50 35.394 -6.190 18.577 1.00 34.12 C ATOM 693 C LYS A 50 34.572 -6.551 19.811 1.00 60.24 C ATOM 694 O LYS A 50 33.597 -7.298 19.723 1.00 13.52 O ATOM 695 CB LYS A 50 36.746 -6.904 18.625 1.00 22.23 C ATOM 696 CG LYS A 50 37.576 -6.721 17.366 1.00 32.22 C ATOM 697 CD LYS A 50 36.954 -7.438 16.180 1.00 70.34 C ATOM 698 CE LYS A 50 37.129 -8.946 16.285 1.00 44.52 C ATOM 699 NZ LYS A 50 37.340 -9.574 14.951 1.00 4.23 N ATOM 0 H LYS A 50 36.547 -4.441 18.636 1.00 45.23 H new ATOM 0 HA LYS A 50 34.850 -6.516 17.691 1.00 34.12 H new ATOM 0 HB2 LYS A 50 37.312 -6.535 19.480 1.00 22.23 H new ATOM 0 HB3 LYS A 50 36.579 -7.969 18.789 1.00 22.23 H new ATOM 0 HG2 LYS A 50 37.670 -5.658 17.142 1.00 32.22 H new ATOM 0 HG3 LYS A 50 38.584 -7.101 17.535 1.00 32.22 H new ATOM 0 HD2 LYS A 50 35.892 -7.197 16.124 1.00 70.34 H new ATOM 0 HD3 LYS A 50 37.411 -7.081 15.257 1.00 70.34 H new ATOM 0 HE2 LYS A 50 37.979 -9.169 16.930 1.00 44.52 H new ATOM 0 HE3 LYS A 50 36.248 -9.382 16.756 1.00 44.52 H new ATOM 0 HZ1 LYS A 50 37.455 -10.601 15.065 1.00 4.23 H new ATOM 0 HZ2 LYS A 50 36.518 -9.383 14.343 1.00 4.23 H new ATOM 0 HZ3 LYS A 50 38.195 -9.177 14.512 1.00 4.23 H new ATOM 713 N LYS A 51 34.971 -6.016 20.959 1.00 24.03 N ATOM 714 CA LYS A 51 34.271 -6.279 22.211 1.00 61.01 C ATOM 715 C LYS A 51 32.928 -5.558 22.245 1.00 54.44 C ATOM 716 O LYS A 51 31.984 -6.010 22.895 1.00 64.21 O ATOM 717 CB LYS A 51 35.128 -5.840 23.401 1.00 52.05 C ATOM 718 CG LYS A 51 35.115 -6.826 24.556 1.00 13.41 C ATOM 719 CD LYS A 51 36.307 -7.765 24.501 1.00 24.31 C ATOM 720 CE LYS A 51 35.889 -9.210 24.727 1.00 64.33 C ATOM 721 NZ LYS A 51 36.875 -10.169 24.154 1.00 1.43 N ATOM 0 H LYS A 51 35.777 -5.397 21.049 1.00 24.03 H new ATOM 0 HA LYS A 51 34.090 -7.352 22.278 1.00 61.01 H new ATOM 0 HB2 LYS A 51 36.156 -5.699 23.066 1.00 52.05 H new ATOM 0 HB3 LYS A 51 34.773 -4.872 23.756 1.00 52.05 H new ATOM 0 HG2 LYS A 51 35.123 -6.282 25.500 1.00 13.41 H new ATOM 0 HG3 LYS A 51 34.192 -7.406 24.530 1.00 13.41 H new ATOM 0 HD2 LYS A 51 36.798 -7.675 23.532 1.00 24.31 H new ATOM 0 HD3 LYS A 51 37.036 -7.474 25.257 1.00 24.31 H new ATOM 0 HE2 LYS A 51 35.782 -9.394 25.796 1.00 64.33 H new ATOM 0 HE3 LYS A 51 34.912 -9.380 24.275 1.00 64.33 H new ATOM 0 HZ1 LYS A 51 36.554 -11.143 24.329 1.00 1.43 H new ATOM 0 HZ2 LYS A 51 36.958 -10.011 23.130 1.00 1.43 H new ATOM 0 HZ3 LYS A 51 37.802 -10.024 24.603 1.00 1.43 H new ATOM 735 N LEU A 52 32.847 -4.435 21.540 1.00 54.44 N ATOM 736 CA LEU A 52 31.617 -3.651 21.488 1.00 42.14 C ATOM 737 C LEU A 52 30.540 -4.380 20.690 1.00 3.42 C ATOM 738 O LEU A 52 29.418 -4.559 21.164 1.00 21.33 O ATOM 739 CB LEU A 52 31.889 -2.280 20.865 1.00 32.23 C ATOM 740 CG LEU A 52 32.031 -1.115 21.845 1.00 53.42 C ATOM 741 CD1 LEU A 52 30.685 -0.771 22.464 1.00 11.01 C ATOM 742 CD2 LEU A 52 33.048 -1.448 22.926 1.00 1.34 C ATOM 0 H LEU A 52 33.618 -4.047 20.997 1.00 54.44 H new ATOM 0 HA LEU A 52 31.258 -3.515 22.508 1.00 42.14 H new ATOM 0 HB2 LEU A 52 32.803 -2.346 20.275 1.00 32.23 H new ATOM 0 HB3 LEU A 52 31.079 -2.050 20.173 1.00 32.23 H new ATOM 0 HG LEU A 52 32.388 -0.244 21.295 1.00 53.42 H new ATOM 0 HD11 LEU A 52 30.806 0.060 23.159 1.00 11.01 H new ATOM 0 HD12 LEU A 52 29.985 -0.488 21.678 1.00 11.01 H new ATOM 0 HD13 LEU A 52 30.299 -1.638 23.000 1.00 11.01 H new ATOM 0 HD21 LEU A 52 33.136 -0.607 23.614 1.00 1.34 H new ATOM 0 HD22 LEU A 52 32.721 -2.332 23.473 1.00 1.34 H new ATOM 0 HD23 LEU A 52 34.017 -1.643 22.466 1.00 1.34 H new ATOM 754 N ILE A 53 30.890 -4.799 19.479 1.00 41.52 N ATOM 755 CA ILE A 53 29.954 -5.511 18.618 1.00 43.35 C ATOM 756 C ILE A 53 29.668 -6.909 19.154 1.00 22.03 C ATOM 757 O ILE A 53 28.570 -7.438 18.983 1.00 60.45 O ATOM 758 CB ILE A 53 30.489 -5.625 17.178 1.00 65.21 C ATOM 759 CG1 ILE A 53 31.696 -6.565 17.132 1.00 2.15 C ATOM 760 CG2 ILE A 53 30.861 -4.251 16.640 1.00 75.41 C ATOM 761 CD1 ILE A 53 31.343 -7.984 16.746 1.00 52.12 C ATOM 0 H ILE A 53 31.815 -4.658 19.072 1.00 41.52 H new ATOM 0 HA ILE A 53 29.030 -4.932 18.609 1.00 43.35 H new ATOM 0 HB ILE A 53 29.704 -6.040 16.547 1.00 65.21 H new ATOM 0 HG12 ILE A 53 32.424 -6.174 16.421 1.00 2.15 H new ATOM 0 HG13 ILE A 53 32.178 -6.572 18.110 1.00 2.15 H new ATOM 0 HG21 ILE A 53 31.237 -4.349 15.622 1.00 75.41 H new ATOM 0 HG22 ILE A 53 29.980 -3.609 16.641 1.00 75.41 H new ATOM 0 HG23 ILE A 53 31.632 -3.810 17.271 1.00 75.41 H new ATOM 0 HD11 ILE A 53 32.247 -8.593 16.734 1.00 52.12 H new ATOM 0 HD12 ILE A 53 30.639 -8.394 17.470 1.00 52.12 H new ATOM 0 HD13 ILE A 53 30.889 -7.989 15.755 1.00 52.12 H new ATOM 773 N ASP A 54 30.663 -7.501 19.806 1.00 34.24 N ATOM 774 CA ASP A 54 30.517 -8.838 20.372 1.00 44.42 C ATOM 775 C ASP A 54 29.627 -8.810 21.610 1.00 3.24 C ATOM 776 O ASP A 54 28.711 -9.621 21.748 1.00 15.43 O ATOM 777 CB ASP A 54 31.888 -9.416 20.726 1.00 21.14 C ATOM 778 CG ASP A 54 32.639 -9.915 19.508 1.00 51.15 C ATOM 779 OD1 ASP A 54 31.978 -10.306 18.522 1.00 23.23 O ATOM 780 OD2 ASP A 54 33.887 -9.913 19.538 1.00 22.23 O ATOM 0 H ASP A 54 31.579 -7.077 19.956 1.00 34.24 H new ATOM 0 HA ASP A 54 30.045 -9.474 19.623 1.00 44.42 H new ATOM 0 HB2 ASP A 54 32.482 -8.652 21.228 1.00 21.14 H new ATOM 0 HB3 ASP A 54 31.762 -10.236 21.432 1.00 21.14 H new ATOM 785 N THR A 55 29.904 -7.872 22.511 1.00 11.20 N ATOM 786 CA THR A 55 29.130 -7.740 23.739 1.00 4.41 C ATOM 787 C THR A 55 27.709 -7.273 23.446 1.00 21.02 C ATOM 788 O THR A 55 26.754 -7.730 24.074 1.00 55.00 O ATOM 789 CB THR A 55 29.792 -6.750 24.716 1.00 4.32 C ATOM 790 OG1 THR A 55 31.103 -7.209 25.066 1.00 51.12 O ATOM 791 CG2 THR A 55 28.953 -6.589 25.975 1.00 44.12 C ATOM 0 H THR A 55 30.659 -7.193 22.413 1.00 11.20 H new ATOM 0 HA THR A 55 29.097 -8.727 24.200 1.00 4.41 H new ATOM 0 HB THR A 55 29.867 -5.781 24.222 1.00 4.32 H new ATOM 0 HG1 THR A 55 31.720 -7.032 24.325 1.00 51.12 H new ATOM 0 HG21 THR A 55 29.441 -5.885 26.650 1.00 44.12 H new ATOM 0 HG22 THR A 55 27.966 -6.212 25.709 1.00 44.12 H new ATOM 0 HG23 THR A 55 28.851 -7.555 26.470 1.00 44.12 H new ATOM 799 N TYR A 56 27.576 -6.362 22.489 1.00 2.40 N ATOM 800 CA TYR A 56 26.271 -5.832 22.114 1.00 15.11 C ATOM 801 C TYR A 56 25.419 -6.906 21.444 1.00 12.22 C ATOM 802 O TYR A 56 24.292 -7.172 21.865 1.00 63.51 O ATOM 803 CB TYR A 56 26.433 -4.635 21.176 1.00 52.14 C ATOM 804 CG TYR A 56 25.192 -3.778 21.068 1.00 41.45 C ATOM 805 CD1 TYR A 56 24.022 -4.281 20.513 1.00 32.12 C ATOM 806 CD2 TYR A 56 25.190 -2.464 21.521 1.00 70.12 C ATOM 807 CE1 TYR A 56 22.886 -3.501 20.412 1.00 63.02 C ATOM 808 CE2 TYR A 56 24.059 -1.677 21.425 1.00 74.12 C ATOM 809 CZ TYR A 56 22.909 -2.200 20.869 1.00 5.11 C ATOM 810 OH TYR A 56 21.780 -1.420 20.771 1.00 31.12 O ATOM 0 H TYR A 56 28.356 -5.975 21.958 1.00 2.40 H new ATOM 0 HA TYR A 56 25.765 -5.507 23.023 1.00 15.11 H new ATOM 0 HB2 TYR A 56 27.261 -4.019 21.527 1.00 52.14 H new ATOM 0 HB3 TYR A 56 26.703 -4.996 20.183 1.00 52.14 H new ATOM 0 HD1 TYR A 56 24.000 -5.299 20.154 1.00 32.12 H new ATOM 0 HD2 TYR A 56 26.088 -2.051 21.956 1.00 70.12 H new ATOM 0 HE1 TYR A 56 21.985 -3.908 19.978 1.00 63.02 H new ATOM 0 HE2 TYR A 56 24.074 -0.658 21.783 1.00 74.12 H new ATOM 0 HH TYR A 56 21.964 -0.531 21.139 1.00 31.12 H new ATOM 820 N CYS A 57 25.965 -7.519 20.400 1.00 3.22 N ATOM 821 CA CYS A 57 25.257 -8.564 19.670 1.00 32.45 C ATOM 822 C CYS A 57 24.901 -9.726 20.593 1.00 44.11 C ATOM 823 O CYS A 57 23.809 -10.287 20.510 1.00 14.14 O ATOM 824 CB CYS A 57 26.108 -9.066 18.503 1.00 75.31 C ATOM 825 SG CYS A 57 26.167 -7.936 17.093 1.00 1.53 S ATOM 0 H CYS A 57 26.896 -7.310 20.040 1.00 3.22 H new ATOM 0 HA CYS A 57 24.333 -8.138 19.279 1.00 32.45 H new ATOM 0 HB2 CYS A 57 27.124 -9.241 18.857 1.00 75.31 H new ATOM 0 HB3 CYS A 57 25.717 -10.027 18.169 1.00 75.31 H new ATOM 0 HG CYS A 57 27.243 -7.210 17.163 1.00 1.53 H new ATOM 831 N LYS A 58 25.832 -10.084 21.471 1.00 45.52 N ATOM 832 CA LYS A 58 25.619 -11.179 22.409 1.00 3.35 C ATOM 833 C LYS A 58 24.636 -10.774 23.503 1.00 31.31 C ATOM 834 O LYS A 58 23.910 -11.611 24.041 1.00 64.22 O ATOM 835 CB LYS A 58 26.948 -11.606 23.036 1.00 22.35 C ATOM 836 CG LYS A 58 27.838 -12.398 22.094 1.00 22.44 C ATOM 837 CD LYS A 58 27.781 -13.887 22.393 1.00 30.21 C ATOM 838 CE LYS A 58 28.777 -14.664 21.546 1.00 24.25 C ATOM 839 NZ LYS A 58 28.370 -14.712 20.115 1.00 61.41 N ATOM 0 H LYS A 58 26.742 -9.631 21.552 1.00 45.52 H new ATOM 0 HA LYS A 58 25.197 -12.020 21.858 1.00 3.35 H new ATOM 0 HB2 LYS A 58 27.485 -10.718 23.369 1.00 22.35 H new ATOM 0 HB3 LYS A 58 26.745 -12.207 23.922 1.00 22.35 H new ATOM 0 HG2 LYS A 58 27.528 -12.221 21.064 1.00 22.44 H new ATOM 0 HG3 LYS A 58 28.866 -12.047 22.182 1.00 22.44 H new ATOM 0 HD2 LYS A 58 27.991 -14.055 23.449 1.00 30.21 H new ATOM 0 HD3 LYS A 58 26.774 -14.259 22.205 1.00 30.21 H new ATOM 0 HE2 LYS A 58 29.761 -14.203 21.628 1.00 24.25 H new ATOM 0 HE3 LYS A 58 28.868 -15.679 21.932 1.00 24.25 H new ATOM 0 HZ1 LYS A 58 29.075 -15.250 19.572 1.00 61.41 H new ATOM 0 HZ2 LYS A 58 27.442 -15.175 20.033 1.00 61.41 H new ATOM 0 HZ3 LYS A 58 28.308 -13.744 19.739 1.00 61.41 H new ATOM 853 N LYS A 59 24.616 -9.486 23.827 1.00 14.22 N ATOM 854 CA LYS A 59 23.719 -8.969 24.855 1.00 44.13 C ATOM 855 C LYS A 59 22.268 -9.022 24.388 1.00 62.30 C ATOM 856 O LYS A 59 21.388 -9.471 25.121 1.00 12.04 O ATOM 857 CB LYS A 59 24.098 -7.530 25.214 1.00 61.31 C ATOM 858 CG LYS A 59 25.047 -7.428 26.395 1.00 25.11 C ATOM 859 CD LYS A 59 25.590 -6.018 26.554 1.00 11.32 C ATOM 860 CE LYS A 59 24.592 -5.113 27.261 1.00 21.33 C ATOM 861 NZ LYS A 59 24.741 -3.691 26.846 1.00 62.12 N ATOM 0 H LYS A 59 25.211 -8.780 23.393 1.00 14.22 H new ATOM 0 HA LYS A 59 23.820 -9.597 25.740 1.00 44.13 H new ATOM 0 HB2 LYS A 59 24.559 -7.057 24.347 1.00 61.31 H new ATOM 0 HB3 LYS A 59 23.191 -6.969 25.438 1.00 61.31 H new ATOM 0 HG2 LYS A 59 24.528 -7.724 27.307 1.00 25.11 H new ATOM 0 HG3 LYS A 59 25.874 -8.124 26.259 1.00 25.11 H new ATOM 0 HD2 LYS A 59 26.521 -6.047 27.120 1.00 11.32 H new ATOM 0 HD3 LYS A 59 25.826 -5.605 25.573 1.00 11.32 H new ATOM 0 HE2 LYS A 59 23.579 -5.450 27.043 1.00 21.33 H new ATOM 0 HE3 LYS A 59 24.730 -5.193 28.339 1.00 21.33 H new ATOM 0 HZ1 LYS A 59 24.043 -3.107 27.350 1.00 62.12 H new ATOM 0 HZ2 LYS A 59 25.700 -3.361 27.077 1.00 62.12 H new ATOM 0 HZ3 LYS A 59 24.584 -3.610 25.821 1.00 62.12 H new ATOM 875 N GLN A 60 22.028 -8.563 23.164 1.00 33.30 N ATOM 876 CA GLN A 60 20.683 -8.560 22.600 1.00 31.35 C ATOM 877 C GLN A 60 20.206 -9.982 22.322 1.00 10.02 C ATOM 878 O GLN A 60 19.009 -10.230 22.182 1.00 1.32 O ATOM 879 CB GLN A 60 20.649 -7.737 21.312 1.00 50.12 C ATOM 880 CG GLN A 60 19.259 -7.606 20.710 1.00 63.23 C ATOM 881 CD GLN A 60 19.062 -6.294 19.976 1.00 21.31 C ATOM 882 OE1 GLN A 60 20.017 -5.555 19.734 1.00 31.34 O ATOM 883 NE2 GLN A 60 17.819 -5.998 19.617 1.00 14.51 N ATOM 0 H GLN A 60 22.747 -8.189 22.544 1.00 33.30 H new ATOM 0 HA GLN A 60 20.011 -8.107 23.330 1.00 31.35 H new ATOM 0 HB2 GLN A 60 21.043 -6.741 21.516 1.00 50.12 H new ATOM 0 HB3 GLN A 60 21.311 -8.197 20.579 1.00 50.12 H new ATOM 0 HG2 GLN A 60 19.086 -8.433 20.021 1.00 63.23 H new ATOM 0 HG3 GLN A 60 18.515 -7.690 21.502 1.00 63.23 H new ATOM 0 HE21 GLN A 60 17.058 -6.640 19.838 1.00 14.51 H new ATOM 0 HE22 GLN A 60 17.625 -5.129 19.120 1.00 14.51 H new ATOM 892 N GLY A 61 21.152 -10.913 22.243 1.00 74.40 N ATOM 893 CA GLY A 61 20.808 -12.299 21.981 1.00 0.12 C ATOM 894 C GLY A 61 20.709 -12.602 20.499 1.00 3.42 C ATOM 895 O GLY A 61 19.964 -13.492 20.089 1.00 30.03 O ATOM 0 H GLY A 61 22.150 -10.733 22.356 1.00 74.40 H new ATOM 0 HA2 GLY A 61 21.559 -12.948 22.432 1.00 0.12 H new ATOM 0 HA3 GLY A 61 19.857 -12.531 22.460 1.00 0.12 H new ATOM 899 N ILE A 62 21.461 -11.859 19.694 1.00 41.21 N ATOM 900 CA ILE A 62 21.454 -12.053 18.249 1.00 1.52 C ATOM 901 C ILE A 62 22.869 -12.014 17.683 1.00 43.35 C ATOM 902 O ILE A 62 23.683 -11.178 18.075 1.00 43.23 O ATOM 903 CB ILE A 62 20.601 -10.983 17.542 1.00 75.30 C ATOM 904 CG1 ILE A 62 20.969 -9.588 18.049 1.00 2.40 C ATOM 905 CG2 ILE A 62 19.120 -11.258 17.760 1.00 21.00 C ATOM 906 CD1 ILE A 62 20.173 -8.478 17.398 1.00 30.41 C ATOM 0 H ILE A 62 22.082 -11.118 20.017 1.00 41.21 H new ATOM 0 HA ILE A 62 21.018 -13.035 18.064 1.00 1.52 H new ATOM 0 HB ILE A 62 20.806 -11.025 16.472 1.00 75.30 H new ATOM 0 HG12 ILE A 62 20.815 -9.550 19.127 1.00 2.40 H new ATOM 0 HG13 ILE A 62 22.030 -9.415 17.872 1.00 2.40 H new ATOM 0 HG21 ILE A 62 18.530 -10.494 17.255 1.00 21.00 H new ATOM 0 HG22 ILE A 62 18.868 -12.238 17.354 1.00 21.00 H new ATOM 0 HG23 ILE A 62 18.900 -11.240 18.827 1.00 21.00 H new ATOM 0 HD11 ILE A 62 20.487 -7.517 17.806 1.00 30.41 H new ATOM 0 HD12 ILE A 62 20.346 -8.489 16.322 1.00 30.41 H new ATOM 0 HD13 ILE A 62 19.112 -8.627 17.596 1.00 30.41 H new ATOM 918 N SER A 63 23.155 -12.923 16.756 1.00 0.00 N ATOM 919 CA SER A 63 24.473 -12.994 16.136 1.00 72.41 C ATOM 920 C SER A 63 24.826 -11.675 15.456 1.00 13.34 C ATOM 921 O SER A 63 23.995 -10.771 15.362 1.00 71.13 O ATOM 922 CB SER A 63 24.519 -14.134 15.117 1.00 60.35 C ATOM 923 OG SER A 63 24.212 -15.376 15.726 1.00 74.20 O ATOM 0 H SER A 63 22.492 -13.620 16.418 1.00 0.00 H new ATOM 0 HA SER A 63 25.206 -13.186 16.920 1.00 72.41 H new ATOM 0 HB2 SER A 63 23.811 -13.935 14.312 1.00 60.35 H new ATOM 0 HB3 SER A 63 25.510 -14.182 14.665 1.00 60.35 H new ATOM 0 HG SER A 63 24.247 -16.088 15.053 1.00 74.20 H new ATOM 929 N ARG A 64 26.064 -11.572 14.985 1.00 50.20 N ATOM 930 CA ARG A 64 26.528 -10.363 14.315 1.00 5.02 C ATOM 931 C ARG A 64 26.143 -10.377 12.839 1.00 63.32 C ATOM 932 O ARG A 64 26.987 -10.182 11.965 1.00 22.23 O ATOM 933 CB ARG A 64 28.046 -10.227 14.456 1.00 33.22 C ATOM 934 CG ARG A 64 28.812 -11.457 13.997 1.00 45.51 C ATOM 935 CD ARG A 64 29.432 -12.198 15.171 1.00 14.14 C ATOM 936 NE ARG A 64 29.488 -13.639 14.941 1.00 50.12 N ATOM 937 CZ ARG A 64 30.187 -14.478 15.698 1.00 53.43 C ATOM 938 NH1 ARG A 64 30.884 -14.021 16.729 1.00 61.12 N ATOM 939 NH2 ARG A 64 30.188 -15.776 15.424 1.00 3.01 N ATOM 0 H ARG A 64 26.764 -12.311 15.055 1.00 50.20 H new ATOM 0 HA ARG A 64 26.047 -9.508 14.790 1.00 5.02 H new ATOM 0 HB2 ARG A 64 28.380 -9.365 13.879 1.00 33.22 H new ATOM 0 HB3 ARG A 64 28.289 -10.026 15.499 1.00 33.22 H new ATOM 0 HG2 ARG A 64 28.140 -12.125 13.458 1.00 45.51 H new ATOM 0 HG3 ARG A 64 29.594 -11.160 13.299 1.00 45.51 H new ATOM 0 HD2 ARG A 64 30.439 -11.820 15.347 1.00 14.14 H new ATOM 0 HD3 ARG A 64 28.854 -11.997 16.073 1.00 14.14 H new ATOM 0 HE ARG A 64 28.962 -14.023 14.156 1.00 50.12 H new ATOM 0 HH11 ARG A 64 30.884 -13.024 16.942 1.00 61.12 H new ATOM 0 HH12 ARG A 64 31.420 -14.667 17.309 1.00 61.12 H new ATOM 0 HH21 ARG A 64 29.652 -16.130 14.632 1.00 3.01 H new ATOM 0 HH22 ARG A 64 30.725 -16.420 16.005 1.00 3.01 H new ATOM 953 N ASN A 65 24.863 -10.610 12.569 1.00 71.32 N ATOM 954 CA ASN A 65 24.366 -10.651 11.198 1.00 20.33 C ATOM 955 C ASN A 65 23.072 -9.854 11.065 1.00 60.12 C ATOM 956 O ASN A 65 22.195 -10.203 10.275 1.00 53.00 O ATOM 957 CB ASN A 65 24.134 -12.099 10.761 1.00 12.00 C ATOM 958 CG ASN A 65 23.310 -12.881 11.766 1.00 60.34 C ATOM 959 OD1 ASN A 65 22.646 -12.302 12.626 1.00 63.51 O ATOM 960 ND2 ASN A 65 23.350 -14.204 11.661 1.00 74.55 N ATOM 0 H ASN A 65 24.151 -10.773 13.281 1.00 71.32 H new ATOM 0 HA ASN A 65 25.118 -10.199 10.551 1.00 20.33 H new ATOM 0 HB2 ASN A 65 23.628 -12.108 9.795 1.00 12.00 H new ATOM 0 HB3 ASN A 65 25.096 -12.592 10.622 1.00 12.00 H new ATOM 0 HD21 ASN A 65 22.816 -14.783 12.309 1.00 74.55 H new ATOM 0 HD22 ASN A 65 23.914 -14.641 10.932 1.00 74.55 H new ATOM 967 N SER A 66 22.961 -8.782 11.842 1.00 2.31 N ATOM 968 CA SER A 66 21.773 -7.936 11.813 1.00 24.24 C ATOM 969 C SER A 66 22.101 -6.523 12.286 1.00 71.02 C ATOM 970 O SER A 66 21.243 -5.819 12.818 1.00 35.44 O ATOM 971 CB SER A 66 20.673 -8.537 12.690 1.00 53.12 C ATOM 972 OG SER A 66 19.440 -8.593 11.993 1.00 31.03 O ATOM 0 H SER A 66 23.679 -8.478 12.500 1.00 2.31 H new ATOM 0 HA SER A 66 21.419 -7.883 10.783 1.00 24.24 H new ATOM 0 HB2 SER A 66 20.962 -9.539 13.006 1.00 53.12 H new ATOM 0 HB3 SER A 66 20.557 -7.939 13.594 1.00 53.12 H new ATOM 0 HG SER A 66 18.753 -8.982 12.574 1.00 31.03 H new ATOM 978 N VAL A 67 23.350 -6.114 12.087 1.00 51.23 N ATOM 979 CA VAL A 67 23.793 -4.785 12.491 1.00 55.33 C ATOM 980 C VAL A 67 24.978 -4.322 11.652 1.00 41.44 C ATOM 981 O VAL A 67 26.029 -4.963 11.636 1.00 52.10 O ATOM 982 CB VAL A 67 24.188 -4.753 13.979 1.00 15.11 C ATOM 983 CG1 VAL A 67 22.949 -4.685 14.859 1.00 12.22 C ATOM 984 CG2 VAL A 67 25.035 -5.966 14.331 1.00 45.02 C ATOM 0 H VAL A 67 24.073 -6.684 11.648 1.00 51.23 H new ATOM 0 HA VAL A 67 22.953 -4.109 12.331 1.00 55.33 H new ATOM 0 HB VAL A 67 24.783 -3.858 14.160 1.00 15.11 H new ATOM 0 HG11 VAL A 67 23.248 -4.663 15.907 1.00 12.22 H new ATOM 0 HG12 VAL A 67 22.385 -3.783 14.624 1.00 12.22 H new ATOM 0 HG13 VAL A 67 22.325 -5.560 14.678 1.00 12.22 H new ATOM 0 HG21 VAL A 67 25.305 -5.927 15.386 1.00 45.02 H new ATOM 0 HG22 VAL A 67 24.467 -6.876 14.135 1.00 45.02 H new ATOM 0 HG23 VAL A 67 25.941 -5.966 13.724 1.00 45.02 H new ATOM 994 N ARG A 68 24.802 -3.203 10.955 1.00 22.42 N ATOM 995 CA ARG A 68 25.858 -2.654 10.113 1.00 74.25 C ATOM 996 C ARG A 68 26.643 -1.579 10.857 1.00 4.20 C ATOM 997 O ARG A 68 26.124 -0.499 11.139 1.00 12.14 O ATOM 998 CB ARG A 68 25.263 -2.070 8.830 1.00 61.35 C ATOM 999 CG ARG A 68 24.945 -3.117 7.774 1.00 32.04 C ATOM 1000 CD ARG A 68 24.240 -2.503 6.575 1.00 3.30 C ATOM 1001 NE ARG A 68 24.656 -3.122 5.319 1.00 4.15 N ATOM 1002 CZ ARG A 68 24.400 -2.603 4.124 1.00 72.22 C ATOM 1003 NH1 ARG A 68 23.732 -1.462 4.022 1.00 63.11 N ATOM 1004 NH2 ARG A 68 24.812 -3.226 3.027 1.00 53.11 N ATOM 0 H ARG A 68 23.939 -2.660 10.957 1.00 22.42 H new ATOM 0 HA ARG A 68 26.540 -3.464 9.854 1.00 74.25 H new ATOM 0 HB2 ARG A 68 24.351 -1.527 9.077 1.00 61.35 H new ATOM 0 HB3 ARG A 68 25.962 -1.346 8.412 1.00 61.35 H new ATOM 0 HG2 ARG A 68 25.867 -3.598 7.448 1.00 32.04 H new ATOM 0 HG3 ARG A 68 24.316 -3.894 8.208 1.00 32.04 H new ATOM 0 HD2 ARG A 68 23.162 -2.612 6.693 1.00 3.30 H new ATOM 0 HD3 ARG A 68 24.450 -1.434 6.539 1.00 3.30 H new ATOM 0 HE ARG A 68 25.171 -4.001 5.362 1.00 4.15 H new ATOM 0 HH11 ARG A 68 23.413 -0.981 4.863 1.00 63.11 H new ATOM 0 HH12 ARG A 68 23.537 -1.066 3.103 1.00 63.11 H new ATOM 0 HH21 ARG A 68 25.326 -4.104 3.102 1.00 53.11 H new ATOM 0 HH22 ARG A 68 24.615 -2.827 2.109 1.00 53.11 H new ATOM 1018 N PHE A 69 27.898 -1.882 11.173 1.00 42.14 N ATOM 1019 CA PHE A 69 28.756 -0.942 11.886 1.00 75.33 C ATOM 1020 C PHE A 69 29.546 -0.078 10.908 1.00 5.01 C ATOM 1021 O PHE A 69 30.398 -0.576 10.170 1.00 51.40 O ATOM 1022 CB PHE A 69 29.715 -1.695 12.810 1.00 12.21 C ATOM 1023 CG PHE A 69 29.037 -2.725 13.668 1.00 53.42 C ATOM 1024 CD1 PHE A 69 28.312 -2.345 14.786 1.00 22.54 C ATOM 1025 CD2 PHE A 69 29.123 -4.072 13.355 1.00 1.41 C ATOM 1026 CE1 PHE A 69 27.688 -3.291 15.578 1.00 70.24 C ATOM 1027 CE2 PHE A 69 28.501 -5.022 14.142 1.00 15.04 C ATOM 1028 CZ PHE A 69 27.781 -4.631 15.255 1.00 42.14 C ATOM 0 H PHE A 69 28.344 -2.771 10.947 1.00 42.14 H new ATOM 0 HA PHE A 69 28.121 -0.291 12.486 1.00 75.33 H new ATOM 0 HB2 PHE A 69 30.480 -2.183 12.206 1.00 12.21 H new ATOM 0 HB3 PHE A 69 30.226 -0.978 13.453 1.00 12.21 H new ATOM 0 HD1 PHE A 69 28.233 -1.299 15.041 1.00 22.54 H new ATOM 0 HD2 PHE A 69 29.683 -4.383 12.485 1.00 1.41 H new ATOM 0 HE1 PHE A 69 27.128 -2.983 16.449 1.00 70.24 H new ATOM 0 HE2 PHE A 69 28.577 -6.069 13.888 1.00 15.04 H new ATOM 0 HZ PHE A 69 27.292 -5.371 15.871 1.00 42.14 H new ATOM 1038 N LEU A 70 29.259 1.219 10.908 1.00 31.12 N ATOM 1039 CA LEU A 70 29.942 2.154 10.021 1.00 2.23 C ATOM 1040 C LEU A 70 30.568 3.298 10.813 1.00 31.45 C ATOM 1041 O LEU A 70 29.929 3.884 11.687 1.00 13.21 O ATOM 1042 CB LEU A 70 28.965 2.712 8.985 1.00 72.51 C ATOM 1043 CG LEU A 70 27.638 3.241 9.530 1.00 30.11 C ATOM 1044 CD1 LEU A 70 27.450 4.702 9.151 1.00 31.33 C ATOM 1045 CD2 LEU A 70 26.477 2.401 9.017 1.00 44.23 C ATOM 0 H LEU A 70 28.558 1.647 11.512 1.00 31.12 H new ATOM 0 HA LEU A 70 30.737 1.613 9.508 1.00 2.23 H new ATOM 0 HB2 LEU A 70 29.461 3.519 8.445 1.00 72.51 H new ATOM 0 HB3 LEU A 70 28.750 1.928 8.259 1.00 72.51 H new ATOM 0 HG LEU A 70 27.659 3.169 10.617 1.00 30.11 H new ATOM 0 HD11 LEU A 70 26.500 5.061 9.547 1.00 31.33 H new ATOM 0 HD12 LEU A 70 28.265 5.294 9.568 1.00 31.33 H new ATOM 0 HD13 LEU A 70 27.450 4.799 8.065 1.00 31.33 H new ATOM 0 HD21 LEU A 70 25.541 2.792 9.415 1.00 44.23 H new ATOM 0 HD22 LEU A 70 26.453 2.440 7.928 1.00 44.23 H new ATOM 0 HD23 LEU A 70 26.605 1.368 9.340 1.00 44.23 H new ATOM 1057 N PHE A 71 31.821 3.611 10.501 1.00 71.11 N ATOM 1058 CA PHE A 71 32.533 4.685 11.183 1.00 41.43 C ATOM 1059 C PHE A 71 33.137 5.661 10.177 1.00 11.30 C ATOM 1060 O PHE A 71 33.618 5.259 9.117 1.00 12.34 O ATOM 1061 CB PHE A 71 33.634 4.110 12.076 1.00 70.21 C ATOM 1062 CG PHE A 71 34.610 5.142 12.565 1.00 72.40 C ATOM 1063 CD1 PHE A 71 34.170 6.254 13.264 1.00 30.12 C ATOM 1064 CD2 PHE A 71 35.967 4.999 12.325 1.00 40.41 C ATOM 1065 CE1 PHE A 71 35.065 7.205 13.716 1.00 3.10 C ATOM 1066 CE2 PHE A 71 36.867 5.947 12.775 1.00 60.05 C ATOM 1067 CZ PHE A 71 36.416 7.052 13.470 1.00 74.22 C ATOM 0 H PHE A 71 32.364 3.136 9.780 1.00 71.11 H new ATOM 0 HA PHE A 71 31.817 5.225 11.803 1.00 41.43 H new ATOM 0 HB2 PHE A 71 33.175 3.620 12.935 1.00 70.21 H new ATOM 0 HB3 PHE A 71 34.176 3.343 11.523 1.00 70.21 H new ATOM 0 HD1 PHE A 71 33.115 6.379 13.458 1.00 30.12 H new ATOM 0 HD2 PHE A 71 36.325 4.138 11.781 1.00 40.41 H new ATOM 0 HE1 PHE A 71 34.709 8.067 14.261 1.00 3.10 H new ATOM 0 HE2 PHE A 71 37.923 5.824 12.583 1.00 60.05 H new ATOM 0 HZ PHE A 71 37.118 7.795 13.820 1.00 74.22 H new ATOM 1077 N ASP A 72 33.107 6.945 10.517 1.00 45.21 N ATOM 1078 CA ASP A 72 33.652 7.980 9.645 1.00 31.41 C ATOM 1079 C ASP A 72 32.846 8.082 8.354 1.00 71.41 C ATOM 1080 O ASP A 72 33.282 8.702 7.385 1.00 11.54 O ATOM 1081 CB ASP A 72 35.118 7.686 9.324 1.00 41.12 C ATOM 1082 CG ASP A 72 35.899 8.941 8.986 1.00 22.22 C ATOM 1083 OD1 ASP A 72 35.427 10.045 9.331 1.00 64.30 O ATOM 1084 OD2 ASP A 72 36.983 8.819 8.378 1.00 72.10 O ATOM 0 H ASP A 72 32.711 7.294 11.390 1.00 45.21 H new ATOM 0 HA ASP A 72 33.587 8.934 10.169 1.00 31.41 H new ATOM 0 HB2 ASP A 72 35.582 7.192 10.178 1.00 41.12 H new ATOM 0 HB3 ASP A 72 35.171 6.991 8.486 1.00 41.12 H new ATOM 1089 N GLY A 73 31.667 7.466 8.348 1.00 42.34 N ATOM 1090 CA GLY A 73 30.820 7.499 7.170 1.00 33.20 C ATOM 1091 C GLY A 73 31.039 6.303 6.265 1.00 74.31 C ATOM 1092 O GLY A 73 30.336 6.131 5.268 1.00 42.51 O ATOM 0 H GLY A 73 31.284 6.945 9.137 1.00 42.34 H new ATOM 0 HA2 GLY A 73 29.775 7.531 7.478 1.00 33.20 H new ATOM 0 HA3 GLY A 73 31.015 8.414 6.611 1.00 33.20 H new ATOM 1096 N THR A 74 32.017 5.472 6.611 1.00 63.03 N ATOM 1097 CA THR A 74 32.329 4.287 5.821 1.00 40.50 C ATOM 1098 C THR A 74 32.019 3.012 6.597 1.00 43.33 C ATOM 1099 O THR A 74 32.252 2.918 7.802 1.00 1.21 O ATOM 1100 CB THR A 74 33.809 4.269 5.396 1.00 44.42 C ATOM 1101 OG1 THR A 74 34.090 3.081 4.649 1.00 61.54 O ATOM 1102 CG2 THR A 74 34.722 4.338 6.611 1.00 43.12 C ATOM 0 H THR A 74 32.607 5.598 7.433 1.00 63.03 H new ATOM 0 HA THR A 74 31.703 4.328 4.929 1.00 40.50 H new ATOM 0 HB THR A 74 33.995 5.143 4.771 1.00 44.42 H new ATOM 0 HG1 THR A 74 35.033 3.078 4.381 1.00 61.54 H new ATOM 0 HG21 THR A 74 35.762 4.324 6.286 1.00 43.12 H new ATOM 0 HG22 THR A 74 34.526 5.258 7.161 1.00 43.12 H new ATOM 0 HG23 THR A 74 34.532 3.481 7.258 1.00 43.12 H new ATOM 1110 N PRO A 75 31.482 2.005 5.892 1.00 43.53 N ATOM 1111 CA PRO A 75 31.130 0.716 6.495 1.00 44.54 C ATOM 1112 C PRO A 75 32.360 -0.091 6.896 1.00 2.31 C ATOM 1113 O PRO A 75 33.123 -0.543 6.042 1.00 4.30 O ATOM 1114 CB PRO A 75 30.362 0.002 5.380 1.00 21.32 C ATOM 1115 CG PRO A 75 30.866 0.615 4.119 1.00 34.14 C ATOM 1116 CD PRO A 75 31.178 2.048 4.452 1.00 72.24 C ATOM 0 HA PRO A 75 30.558 0.838 7.415 1.00 44.54 H new ATOM 0 HB2 PRO A 75 30.545 -1.072 5.399 1.00 21.32 H new ATOM 0 HB3 PRO A 75 29.287 0.144 5.487 1.00 21.32 H new ATOM 0 HG2 PRO A 75 31.754 0.095 3.760 1.00 34.14 H new ATOM 0 HG3 PRO A 75 30.118 0.552 3.328 1.00 34.14 H new ATOM 0 HD2 PRO A 75 32.024 2.420 3.874 1.00 72.24 H new ATOM 0 HD3 PRO A 75 30.333 2.703 4.239 1.00 72.24 H new ATOM 1124 N ILE A 76 32.546 -0.268 8.200 1.00 72.32 N ATOM 1125 CA ILE A 76 33.682 -1.023 8.713 1.00 4.43 C ATOM 1126 C ILE A 76 33.340 -1.700 10.036 1.00 61.43 C ATOM 1127 O ILE A 76 32.830 -1.063 10.958 1.00 63.53 O ATOM 1128 CB ILE A 76 34.913 -0.119 8.916 1.00 52.31 C ATOM 1129 CG1 ILE A 76 35.197 0.685 7.645 1.00 22.13 C ATOM 1130 CG2 ILE A 76 36.125 -0.953 9.304 1.00 15.31 C ATOM 1131 CD1 ILE A 76 36.417 1.573 7.753 1.00 52.34 C ATOM 0 H ILE A 76 31.925 0.101 8.920 1.00 72.32 H new ATOM 0 HA ILE A 76 33.918 -1.783 7.968 1.00 4.43 H new ATOM 0 HB ILE A 76 34.703 0.579 9.726 1.00 52.31 H new ATOM 0 HG12 ILE A 76 35.332 -0.004 6.811 1.00 22.13 H new ATOM 0 HG13 ILE A 76 34.328 1.301 7.413 1.00 22.13 H new ATOM 0 HG21 ILE A 76 36.986 -0.300 9.444 1.00 15.31 H new ATOM 0 HG22 ILE A 76 35.918 -1.485 10.233 1.00 15.31 H new ATOM 0 HG23 ILE A 76 36.340 -1.672 8.514 1.00 15.31 H new ATOM 0 HD11 ILE A 76 36.558 2.113 6.817 1.00 52.34 H new ATOM 0 HD12 ILE A 76 36.277 2.286 8.566 1.00 52.34 H new ATOM 0 HD13 ILE A 76 37.296 0.961 7.955 1.00 52.34 H new ATOM 1143 N ASP A 77 33.625 -2.995 10.122 1.00 45.12 N ATOM 1144 CA ASP A 77 33.351 -3.760 11.333 1.00 52.51 C ATOM 1145 C ASP A 77 34.626 -4.399 11.873 1.00 62.24 C ATOM 1146 O ASP A 77 34.957 -5.533 11.527 1.00 50.21 O ATOM 1147 CB ASP A 77 32.303 -4.838 11.054 1.00 60.21 C ATOM 1148 CG ASP A 77 32.567 -5.581 9.759 1.00 41.43 C ATOM 1149 OD1 ASP A 77 32.194 -5.057 8.688 1.00 60.23 O ATOM 1150 OD2 ASP A 77 33.147 -6.685 9.816 1.00 45.41 O ATOM 0 H ASP A 77 34.046 -3.537 9.367 1.00 45.12 H new ATOM 0 HA ASP A 77 32.964 -3.074 12.087 1.00 52.51 H new ATOM 0 HB2 ASP A 77 32.288 -5.548 11.880 1.00 60.21 H new ATOM 0 HB3 ASP A 77 31.316 -4.378 11.011 1.00 60.21 H new ATOM 1155 N GLU A 78 35.338 -3.664 12.721 1.00 40.41 N ATOM 1156 CA GLU A 78 36.578 -4.159 13.306 1.00 21.43 C ATOM 1157 C GLU A 78 37.192 -3.121 14.241 1.00 41.35 C ATOM 1158 O GLU A 78 36.748 -1.973 14.291 1.00 74.32 O ATOM 1159 CB GLU A 78 37.577 -4.526 12.206 1.00 13.43 C ATOM 1160 CG GLU A 78 37.762 -6.023 12.027 1.00 42.14 C ATOM 1161 CD GLU A 78 39.207 -6.405 11.766 1.00 15.35 C ATOM 1162 OE1 GLU A 78 40.060 -6.126 12.634 1.00 31.44 O ATOM 1163 OE2 GLU A 78 39.483 -6.983 10.694 1.00 12.52 O ATOM 0 H GLU A 78 35.077 -2.724 13.018 1.00 40.41 H new ATOM 0 HA GLU A 78 36.344 -5.051 13.886 1.00 21.43 H new ATOM 0 HB2 GLU A 78 37.241 -4.095 11.263 1.00 13.43 H new ATOM 0 HB3 GLU A 78 38.542 -4.074 12.437 1.00 13.43 H new ATOM 0 HG2 GLU A 78 37.409 -6.538 12.920 1.00 42.14 H new ATOM 0 HG3 GLU A 78 37.144 -6.365 11.197 1.00 42.14 H new ATOM 1170 N THR A 79 38.217 -3.531 14.981 1.00 63.53 N ATOM 1171 CA THR A 79 38.892 -2.639 15.915 1.00 52.14 C ATOM 1172 C THR A 79 40.322 -2.355 15.469 1.00 72.51 C ATOM 1173 O THR A 79 41.142 -1.871 16.249 1.00 51.53 O ATOM 1174 CB THR A 79 38.917 -3.229 17.337 1.00 21.12 C ATOM 1175 OG1 THR A 79 39.308 -2.223 18.278 1.00 14.12 O ATOM 1176 CG2 THR A 79 39.877 -4.406 17.418 1.00 64.13 C ATOM 0 H THR A 79 38.598 -4.477 14.951 1.00 63.53 H new ATOM 0 HA THR A 79 38.327 -1.707 15.926 1.00 52.14 H new ATOM 0 HB THR A 79 37.914 -3.581 17.578 1.00 21.12 H new ATOM 0 HG1 THR A 79 40.082 -1.732 17.930 1.00 14.12 H new ATOM 0 HG21 THR A 79 39.878 -4.806 18.432 1.00 64.13 H new ATOM 0 HG22 THR A 79 39.560 -5.183 16.722 1.00 64.13 H new ATOM 0 HG23 THR A 79 40.882 -4.074 17.158 1.00 64.13 H new ATOM 1184 N LYS A 80 40.615 -2.660 14.209 1.00 23.23 N ATOM 1185 CA LYS A 80 41.946 -2.437 13.658 1.00 44.42 C ATOM 1186 C LYS A 80 41.904 -1.404 12.536 1.00 1.32 C ATOM 1187 O LYS A 80 42.720 -0.482 12.495 1.00 21.10 O ATOM 1188 CB LYS A 80 42.531 -3.750 13.134 1.00 62.21 C ATOM 1189 CG LYS A 80 43.030 -4.674 14.231 1.00 24.13 C ATOM 1190 CD LYS A 80 44.172 -4.046 15.013 1.00 52.30 C ATOM 1191 CE LYS A 80 45.447 -4.866 14.894 1.00 41.04 C ATOM 1192 NZ LYS A 80 46.639 -4.110 15.369 1.00 21.51 N ATOM 0 H LYS A 80 39.948 -3.062 13.550 1.00 23.23 H new ATOM 0 HA LYS A 80 42.583 -2.056 14.456 1.00 44.42 H new ATOM 0 HB2 LYS A 80 41.771 -4.270 12.551 1.00 62.21 H new ATOM 0 HB3 LYS A 80 43.355 -3.526 12.456 1.00 62.21 H new ATOM 0 HG2 LYS A 80 42.210 -4.911 14.909 1.00 24.13 H new ATOM 0 HG3 LYS A 80 43.362 -5.615 13.792 1.00 24.13 H new ATOM 0 HD2 LYS A 80 44.353 -3.035 14.647 1.00 52.30 H new ATOM 0 HD3 LYS A 80 43.891 -3.959 16.063 1.00 52.30 H new ATOM 0 HE2 LYS A 80 45.344 -5.783 15.474 1.00 41.04 H new ATOM 0 HE3 LYS A 80 45.594 -5.160 13.855 1.00 41.04 H new ATOM 0 HZ1 LYS A 80 47.488 -4.703 15.272 1.00 21.51 H new ATOM 0 HZ2 LYS A 80 46.752 -3.247 14.800 1.00 21.51 H new ATOM 0 HZ3 LYS A 80 46.510 -3.851 16.368 1.00 21.51 H new ATOM 1206 N THR A 81 40.947 -1.562 11.627 1.00 33.15 N ATOM 1207 CA THR A 81 40.798 -0.643 10.506 1.00 72.51 C ATOM 1208 C THR A 81 40.516 0.774 10.990 1.00 15.10 C ATOM 1209 O THR A 81 41.270 1.709 10.723 1.00 45.24 O ATOM 1210 CB THR A 81 39.664 -1.087 9.563 1.00 75.20 C ATOM 1211 OG1 THR A 81 38.970 -2.207 10.124 1.00 31.22 O ATOM 1212 CG2 THR A 81 40.212 -1.458 8.194 1.00 62.44 C ATOM 0 H THR A 81 40.263 -2.319 11.646 1.00 33.15 H new ATOM 0 HA THR A 81 41.741 -0.656 9.959 1.00 72.51 H new ATOM 0 HB THR A 81 38.972 -0.253 9.446 1.00 75.20 H new ATOM 0 HG1 THR A 81 38.359 -2.581 9.456 1.00 31.22 H new ATOM 0 HG21 THR A 81 39.392 -1.768 7.546 1.00 62.44 H new ATOM 0 HG22 THR A 81 40.714 -0.595 7.757 1.00 62.44 H new ATOM 0 HG23 THR A 81 40.923 -2.277 8.297 1.00 62.44 H new ATOM 1220 N PRO A 82 39.403 0.940 11.721 1.00 50.24 N ATOM 1221 CA PRO A 82 38.996 2.242 12.259 1.00 63.33 C ATOM 1222 C PRO A 82 39.918 2.721 13.375 1.00 42.45 C ATOM 1223 O PRO A 82 39.953 3.909 13.695 1.00 62.11 O ATOM 1224 CB PRO A 82 37.590 1.977 12.803 1.00 25.34 C ATOM 1225 CG PRO A 82 37.570 0.518 13.105 1.00 11.02 C ATOM 1226 CD PRO A 82 38.457 -0.130 12.078 1.00 13.10 C ATOM 0 HA PRO A 82 39.034 3.026 11.503 1.00 63.33 H new ATOM 0 HB2 PRO A 82 37.393 2.569 13.697 1.00 25.34 H new ATOM 0 HB3 PRO A 82 36.826 2.240 12.071 1.00 25.34 H new ATOM 0 HG2 PRO A 82 37.934 0.323 14.114 1.00 11.02 H new ATOM 0 HG3 PRO A 82 36.556 0.122 13.050 1.00 11.02 H new ATOM 0 HD2 PRO A 82 38.971 -1.002 12.483 1.00 13.10 H new ATOM 0 HD3 PRO A 82 37.888 -0.469 11.212 1.00 13.10 H new ATOM 1234 N GLU A 83 40.663 1.790 13.962 1.00 42.21 N ATOM 1235 CA GLU A 83 41.585 2.120 15.042 1.00 22.25 C ATOM 1236 C GLU A 83 42.823 2.832 14.504 1.00 73.24 C ATOM 1237 O GLU A 83 43.188 3.907 14.978 1.00 22.43 O ATOM 1238 CB GLU A 83 41.999 0.853 15.794 1.00 60.20 C ATOM 1239 CG GLU A 83 43.421 0.898 16.327 1.00 42.40 C ATOM 1240 CD GLU A 83 43.771 -0.319 17.161 1.00 41.13 C ATOM 1241 OE1 GLU A 83 43.666 -1.448 16.637 1.00 42.50 O ATOM 1242 OE2 GLU A 83 44.150 -0.142 18.337 1.00 22.15 O ATOM 0 H GLU A 83 40.646 0.802 13.708 1.00 42.21 H new ATOM 0 HA GLU A 83 41.072 2.792 15.730 1.00 22.25 H new ATOM 0 HB2 GLU A 83 41.313 0.694 16.626 1.00 60.20 H new ATOM 0 HB3 GLU A 83 41.897 -0.004 15.128 1.00 60.20 H new ATOM 0 HG2 GLU A 83 44.116 0.973 15.491 1.00 42.40 H new ATOM 0 HG3 GLU A 83 43.550 1.797 16.930 1.00 42.40 H new ATOM 1249 N GLU A 84 43.463 2.223 13.510 1.00 54.41 N ATOM 1250 CA GLU A 84 44.660 2.799 12.908 1.00 73.53 C ATOM 1251 C GLU A 84 44.298 3.938 11.959 1.00 11.15 C ATOM 1252 O GLU A 84 45.113 4.822 11.694 1.00 42.35 O ATOM 1253 CB GLU A 84 45.445 1.723 12.154 1.00 3.30 C ATOM 1254 CG GLU A 84 44.903 1.435 10.764 1.00 33.45 C ATOM 1255 CD GLU A 84 45.543 2.300 9.697 1.00 64.24 C ATOM 1256 OE1 GLU A 84 46.727 2.065 9.376 1.00 44.44 O ATOM 1257 OE2 GLU A 84 44.862 3.211 9.182 1.00 33.24 O ATOM 0 H GLU A 84 43.173 1.333 13.105 1.00 54.41 H new ATOM 0 HA GLU A 84 45.282 3.200 13.708 1.00 73.53 H new ATOM 0 HB2 GLU A 84 46.486 2.036 12.071 1.00 3.30 H new ATOM 0 HB3 GLU A 84 45.434 0.802 12.737 1.00 3.30 H new ATOM 0 HG2 GLU A 84 45.070 0.385 10.523 1.00 33.45 H new ATOM 0 HG3 GLU A 84 43.825 1.596 10.758 1.00 33.45 H new ATOM 1264 N LEU A 85 43.071 3.910 11.452 1.00 15.40 N ATOM 1265 CA LEU A 85 42.599 4.940 10.533 1.00 43.34 C ATOM 1266 C LEU A 85 42.130 6.176 11.293 1.00 12.14 C ATOM 1267 O LEU A 85 42.280 7.302 10.821 1.00 15.35 O ATOM 1268 CB LEU A 85 41.461 4.397 9.667 1.00 12.03 C ATOM 1269 CG LEU A 85 40.893 5.360 8.624 1.00 34.30 C ATOM 1270 CD1 LEU A 85 40.665 4.642 7.303 1.00 61.41 C ATOM 1271 CD2 LEU A 85 39.598 5.984 9.124 1.00 72.04 C ATOM 0 H LEU A 85 42.384 3.185 11.662 1.00 15.40 H new ATOM 0 HA LEU A 85 43.431 5.226 9.890 1.00 43.34 H new ATOM 0 HB2 LEU A 85 41.817 3.504 9.152 1.00 12.03 H new ATOM 0 HB3 LEU A 85 40.649 4.084 10.324 1.00 12.03 H new ATOM 0 HG LEU A 85 41.618 6.157 8.460 1.00 34.30 H new ATOM 0 HD11 LEU A 85 40.261 5.343 6.573 1.00 61.41 H new ATOM 0 HD12 LEU A 85 41.611 4.243 6.938 1.00 61.41 H new ATOM 0 HD13 LEU A 85 39.959 3.824 7.450 1.00 61.41 H new ATOM 0 HD21 LEU A 85 39.208 6.667 8.369 1.00 72.04 H new ATOM 0 HD22 LEU A 85 38.866 5.199 9.316 1.00 72.04 H new ATOM 0 HD23 LEU A 85 39.791 6.534 10.045 1.00 72.04 H new ATOM 1283 N GLY A 86 41.563 5.957 12.476 1.00 74.11 N ATOM 1284 CA GLY A 86 41.082 7.062 13.284 1.00 10.23 C ATOM 1285 C GLY A 86 42.174 7.672 14.140 1.00 1.51 C ATOM 1286 O GLY A 86 42.364 8.888 14.142 1.00 54.40 O ATOM 0 H GLY A 86 41.428 5.034 12.889 1.00 74.11 H new ATOM 0 HA2 GLY A 86 40.664 7.829 12.633 1.00 10.23 H new ATOM 0 HA3 GLY A 86 40.273 6.714 13.926 1.00 10.23 H new ATOM 1290 N MET A 87 42.893 6.827 14.871 1.00 64.34 N ATOM 1291 CA MET A 87 43.972 7.291 15.735 1.00 22.22 C ATOM 1292 C MET A 87 43.439 8.225 16.817 1.00 74.32 C ATOM 1293 O MET A 87 44.174 9.055 17.350 1.00 52.25 O ATOM 1294 CB MET A 87 45.044 8.006 14.910 1.00 13.43 C ATOM 1295 CG MET A 87 45.512 7.211 13.702 1.00 5.55 C ATOM 1296 SD MET A 87 46.925 7.969 12.878 1.00 45.52 S ATOM 1297 CE MET A 87 46.102 8.938 11.616 1.00 73.40 C ATOM 0 H MET A 87 42.748 5.817 14.882 1.00 64.34 H new ATOM 0 HA MET A 87 44.416 6.421 16.218 1.00 22.22 H new ATOM 0 HB2 MET A 87 44.652 8.966 14.573 1.00 13.43 H new ATOM 0 HB3 MET A 87 45.901 8.218 15.549 1.00 13.43 H new ATOM 0 HG2 MET A 87 45.778 6.202 14.017 1.00 5.55 H new ATOM 0 HG3 MET A 87 44.690 7.117 12.993 1.00 5.55 H new ATOM 0 HE1 MET A 87 46.846 9.468 11.021 1.00 73.40 H new ATOM 0 HE2 MET A 87 45.524 8.278 10.970 1.00 73.40 H new ATOM 0 HE3 MET A 87 45.435 9.659 12.088 1.00 73.40 H new ATOM 1307 N GLU A 88 42.156 8.082 17.135 1.00 12.25 N ATOM 1308 CA GLU A 88 41.525 8.915 18.153 1.00 62.20 C ATOM 1309 C GLU A 88 40.751 8.060 19.153 1.00 65.04 C ATOM 1310 O GLU A 88 40.475 6.887 18.900 1.00 40.34 O ATOM 1311 CB GLU A 88 40.586 9.932 17.501 1.00 4.32 C ATOM 1312 CG GLU A 88 40.494 11.247 18.257 1.00 22.14 C ATOM 1313 CD GLU A 88 40.104 12.408 17.364 1.00 75.14 C ATOM 1314 OE1 GLU A 88 39.708 12.157 16.206 1.00 45.44 O ATOM 1315 OE2 GLU A 88 40.193 13.566 17.821 1.00 10.14 O ATOM 0 H GLU A 88 41.534 7.398 16.703 1.00 12.25 H new ATOM 0 HA GLU A 88 42.311 9.448 18.688 1.00 62.20 H new ATOM 0 HB2 GLU A 88 40.927 10.130 16.485 1.00 4.32 H new ATOM 0 HB3 GLU A 88 39.590 9.497 17.424 1.00 4.32 H new ATOM 0 HG2 GLU A 88 39.763 11.150 19.060 1.00 22.14 H new ATOM 0 HG3 GLU A 88 41.455 11.461 18.725 1.00 22.14 H new ATOM 1322 N ASP A 89 40.406 8.656 20.288 1.00 31.25 N ATOM 1323 CA ASP A 89 39.664 7.950 21.327 1.00 53.41 C ATOM 1324 C ASP A 89 38.173 8.259 21.234 1.00 13.44 C ATOM 1325 O ASP A 89 37.406 7.947 22.146 1.00 43.31 O ATOM 1326 CB ASP A 89 40.192 8.333 22.710 1.00 13.14 C ATOM 1327 CG ASP A 89 39.574 9.616 23.231 1.00 2.11 C ATOM 1328 OD1 ASP A 89 39.874 10.689 22.668 1.00 10.41 O ATOM 1329 OD2 ASP A 89 38.792 9.547 24.202 1.00 31.13 O ATOM 0 H ASP A 89 40.628 9.626 20.513 1.00 31.25 H new ATOM 0 HA ASP A 89 39.805 6.880 21.177 1.00 53.41 H new ATOM 0 HB2 ASP A 89 39.987 7.524 23.411 1.00 13.14 H new ATOM 0 HB3 ASP A 89 41.275 8.448 22.663 1.00 13.14 H new ATOM 1334 N ASP A 90 37.769 8.875 20.129 1.00 50.13 N ATOM 1335 CA ASP A 90 36.370 9.227 19.917 1.00 74.32 C ATOM 1336 C ASP A 90 35.786 8.450 18.741 1.00 42.04 C ATOM 1337 O ASP A 90 35.052 9.003 17.922 1.00 52.12 O ATOM 1338 CB ASP A 90 36.231 10.730 19.670 1.00 20.15 C ATOM 1339 CG ASP A 90 36.501 11.548 20.918 1.00 43.33 C ATOM 1340 OD1 ASP A 90 35.848 11.290 21.950 1.00 30.14 O ATOM 1341 OD2 ASP A 90 37.367 12.447 20.861 1.00 34.43 O ATOM 0 H ASP A 90 38.391 9.141 19.366 1.00 50.13 H new ATOM 0 HA ASP A 90 35.815 8.962 20.817 1.00 74.32 H new ATOM 0 HB2 ASP A 90 36.923 11.032 18.884 1.00 20.15 H new ATOM 0 HB3 ASP A 90 35.225 10.945 19.309 1.00 20.15 H new ATOM 1346 N ASP A 91 36.119 7.166 18.663 1.00 52.31 N ATOM 1347 CA ASP A 91 35.628 6.313 17.587 1.00 40.12 C ATOM 1348 C ASP A 91 34.133 6.051 17.740 1.00 21.43 C ATOM 1349 O ASP A 91 33.687 5.515 18.755 1.00 1.32 O ATOM 1350 CB ASP A 91 36.392 4.988 17.569 1.00 51.10 C ATOM 1351 CG ASP A 91 35.623 3.886 16.867 1.00 30.02 C ATOM 1352 OD1 ASP A 91 35.581 3.894 15.619 1.00 73.31 O ATOM 1353 OD2 ASP A 91 35.064 3.015 17.566 1.00 3.22 O ATOM 0 H ASP A 91 36.727 6.693 19.332 1.00 52.31 H new ATOM 0 HA ASP A 91 35.792 6.831 16.642 1.00 40.12 H new ATOM 0 HB2 ASP A 91 37.351 5.132 17.071 1.00 51.10 H new ATOM 0 HB3 ASP A 91 36.607 4.682 18.593 1.00 51.10 H new ATOM 1358 N VAL A 92 33.363 6.432 16.726 1.00 2.31 N ATOM 1359 CA VAL A 92 31.918 6.238 16.748 1.00 43.40 C ATOM 1360 C VAL A 92 31.499 5.122 15.798 1.00 22.12 C ATOM 1361 O VAL A 92 32.212 4.803 14.846 1.00 1.12 O ATOM 1362 CB VAL A 92 31.173 7.530 16.365 1.00 53.54 C ATOM 1363 CG1 VAL A 92 31.721 8.715 17.145 1.00 2.30 C ATOM 1364 CG2 VAL A 92 31.270 7.777 14.867 1.00 64.14 C ATOM 0 H VAL A 92 33.716 6.877 15.879 1.00 2.31 H new ATOM 0 HA VAL A 92 31.651 5.962 17.768 1.00 43.40 H new ATOM 0 HB VAL A 92 30.121 7.411 16.624 1.00 53.54 H new ATOM 0 HG11 VAL A 92 31.182 9.619 16.860 1.00 2.30 H new ATOM 0 HG12 VAL A 92 31.594 8.538 18.213 1.00 2.30 H new ATOM 0 HG13 VAL A 92 32.781 8.839 16.921 1.00 2.30 H new ATOM 0 HG21 VAL A 92 30.738 8.694 14.614 1.00 64.14 H new ATOM 0 HG22 VAL A 92 32.317 7.875 14.581 1.00 64.14 H new ATOM 0 HG23 VAL A 92 30.824 6.939 14.331 1.00 64.14 H new ATOM 1374 N ILE A 93 30.339 4.532 16.063 1.00 34.23 N ATOM 1375 CA ILE A 93 29.824 3.452 15.231 1.00 72.31 C ATOM 1376 C ILE A 93 28.313 3.563 15.059 1.00 73.23 C ATOM 1377 O ILE A 93 27.552 3.340 16.001 1.00 42.40 O ATOM 1378 CB ILE A 93 30.161 2.072 15.827 1.00 41.14 C ATOM 1379 CG1 ILE A 93 31.677 1.873 15.882 1.00 2.11 C ATOM 1380 CG2 ILE A 93 29.506 0.968 15.010 1.00 0.12 C ATOM 1381 CD1 ILE A 93 32.325 1.779 14.518 1.00 15.12 C ATOM 0 H ILE A 93 29.738 4.784 16.848 1.00 34.23 H new ATOM 0 HA ILE A 93 30.306 3.546 14.258 1.00 72.31 H new ATOM 0 HB ILE A 93 29.770 2.026 16.843 1.00 41.14 H new ATOM 0 HG12 ILE A 93 32.124 2.702 16.431 1.00 2.11 H new ATOM 0 HG13 ILE A 93 31.896 0.964 16.442 1.00 2.11 H new ATOM 0 HG21 ILE A 93 29.753 -0.001 15.443 1.00 0.12 H new ATOM 0 HG22 ILE A 93 28.424 1.103 15.017 1.00 0.12 H new ATOM 0 HG23 ILE A 93 29.870 1.010 13.984 1.00 0.12 H new ATOM 0 HD11 ILE A 93 33.400 1.638 14.635 1.00 15.12 H new ATOM 0 HD12 ILE A 93 31.905 0.933 13.973 1.00 15.12 H new ATOM 0 HD13 ILE A 93 32.137 2.698 13.962 1.00 15.12 H new ATOM 1393 N ASP A 94 27.885 3.907 13.849 1.00 35.41 N ATOM 1394 CA ASP A 94 26.464 4.044 13.552 1.00 55.44 C ATOM 1395 C ASP A 94 25.868 2.710 13.112 1.00 3.34 C ATOM 1396 O ASP A 94 26.008 2.307 11.958 1.00 14.21 O ATOM 1397 CB ASP A 94 26.248 5.096 12.462 1.00 5.22 C ATOM 1398 CG ASP A 94 25.132 6.063 12.804 1.00 40.44 C ATOM 1399 OD1 ASP A 94 23.955 5.718 12.568 1.00 11.14 O ATOM 1400 OD2 ASP A 94 25.435 7.165 13.307 1.00 42.24 O ATOM 0 H ASP A 94 28.501 4.096 13.059 1.00 35.41 H new ATOM 0 HA ASP A 94 25.958 4.365 14.463 1.00 55.44 H new ATOM 0 HB2 ASP A 94 27.173 5.652 12.310 1.00 5.22 H new ATOM 0 HB3 ASP A 94 26.017 4.597 11.521 1.00 5.22 H new ATOM 1405 N ALA A 95 25.206 2.029 14.042 1.00 54.34 N ATOM 1406 CA ALA A 95 24.589 0.741 13.750 1.00 14.32 C ATOM 1407 C ALA A 95 23.317 0.915 12.928 1.00 54.55 C ATOM 1408 O ALA A 95 22.285 1.343 13.445 1.00 22.02 O ATOM 1409 CB ALA A 95 24.286 -0.003 15.042 1.00 21.31 C ATOM 0 H ALA A 95 25.083 2.348 15.003 1.00 54.34 H new ATOM 0 HA ALA A 95 25.293 0.154 13.161 1.00 14.32 H new ATOM 0 HB1 ALA A 95 23.825 -0.963 14.810 1.00 21.31 H new ATOM 0 HB2 ALA A 95 25.212 -0.169 15.592 1.00 21.31 H new ATOM 0 HB3 ALA A 95 23.603 0.589 15.651 1.00 21.31 H new ATOM 1415 N MET A 96 23.398 0.582 11.644 1.00 55.35 N ATOM 1416 CA MET A 96 22.252 0.702 10.750 1.00 75.14 C ATOM 1417 C MET A 96 21.596 -0.657 10.521 1.00 45.52 C ATOM 1418 O MET A 96 22.253 -1.695 10.601 1.00 41.24 O ATOM 1419 CB MET A 96 22.682 1.305 9.411 1.00 2.44 C ATOM 1420 CG MET A 96 21.599 2.137 8.743 1.00 4.02 C ATOM 1421 SD MET A 96 22.198 3.748 8.198 1.00 62.13 S ATOM 1422 CE MET A 96 21.243 3.975 6.700 1.00 72.33 C ATOM 0 H MET A 96 24.245 0.227 11.199 1.00 55.35 H new ATOM 0 HA MET A 96 21.524 1.363 11.221 1.00 75.14 H new ATOM 0 HB2 MET A 96 23.562 1.928 9.569 1.00 2.44 H new ATOM 0 HB3 MET A 96 22.978 0.500 8.738 1.00 2.44 H new ATOM 0 HG2 MET A 96 21.204 1.592 7.886 1.00 4.02 H new ATOM 0 HG3 MET A 96 20.773 2.278 9.440 1.00 4.02 H new ATOM 0 HE1 MET A 96 21.502 4.931 6.245 1.00 72.33 H new ATOM 0 HE2 MET A 96 21.465 3.168 6.001 1.00 72.33 H new ATOM 0 HE3 MET A 96 20.180 3.964 6.941 1.00 72.33 H new ATOM 1432 N VAL A 97 20.298 -0.642 10.236 1.00 21.12 N ATOM 1433 CA VAL A 97 19.555 -1.873 9.995 1.00 14.11 C ATOM 1434 C VAL A 97 19.263 -2.057 8.510 1.00 42.10 C ATOM 1435 O VAL A 97 18.933 -1.101 7.810 1.00 55.23 O ATOM 1436 CB VAL A 97 18.226 -1.887 10.773 1.00 35.54 C ATOM 1437 CG1 VAL A 97 18.484 -1.983 12.269 1.00 33.34 C ATOM 1438 CG2 VAL A 97 17.402 -0.651 10.444 1.00 22.42 C ATOM 0 H VAL A 97 19.739 0.209 10.166 1.00 21.12 H new ATOM 0 HA VAL A 97 20.181 -2.694 10.344 1.00 14.11 H new ATOM 0 HB VAL A 97 17.657 -2.766 10.469 1.00 35.54 H new ATOM 0 HG11 VAL A 97 17.533 -1.992 12.802 1.00 33.34 H new ATOM 0 HG12 VAL A 97 19.030 -2.901 12.486 1.00 33.34 H new ATOM 0 HG13 VAL A 97 19.074 -1.125 12.592 1.00 33.34 H new ATOM 0 HG21 VAL A 97 16.467 -0.678 11.003 1.00 22.42 H new ATOM 0 HG22 VAL A 97 17.962 0.243 10.717 1.00 22.42 H new ATOM 0 HG23 VAL A 97 17.186 -0.631 9.376 1.00 22.42 H new