USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 404 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 Single : A 65 TYR OH : rot 161:sc= 0.206 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.06) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 77 SER OG : rot -38:sc= 0.563 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.92 K(o=-1.9,f=-4.9!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -72:sc= 1.2 USER MOD Single : A 91 ASN : amide:sc= -1.6 K(o=-1.6,f=-5.2!) USER MOD Single : A 92 LYS NZ :NH3+ 155:sc= -0.0835 (180deg=-0.542) USER MOD Single : A 93 HIS : no HE2:sc= -2.75 K(o=-2.7,f=-5.2!) USER MOD Single : A 95 TYR OH : rot 132:sc= 0.241 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 127:sc= -0.203 (180deg=-1.17) USER MOD Single : A 102 MET CE :methyl 129:sc= -0.139 (180deg=-0.983) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.143 K(o=-0.14,f=-2.6!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.570 27.508 20.841 1.00 15.00 N ATOM 386 CA LEU A 63 16.037 26.419 21.657 1.00 15.00 C ATOM 387 C LEU A 63 14.514 26.422 21.620 1.00 15.00 C ATOM 388 O LEU A 63 13.883 27.467 21.769 1.00 15.00 O ATOM 389 CB LEU A 63 16.514 26.567 23.106 1.00 15.00 C ATOM 390 CG LEU A 63 18.045 26.601 23.154 1.00 15.00 C ATOM 391 CD1 LEU A 63 18.502 26.843 24.594 1.00 15.00 C ATOM 392 CD2 LEU A 63 18.609 25.263 22.668 1.00 15.00 C ATOM 0 HA LEU A 63 16.399 25.475 21.251 1.00 15.00 H new ATOM 0 HB2 LEU A 63 16.108 27.481 23.539 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.142 25.737 23.706 1.00 15.00 H new ATOM 0 HG LEU A 63 18.406 27.403 22.510 1.00 15.00 H new ATOM 0 HD11 LEU A 63 19.591 26.868 24.631 1.00 15.00 H new ATOM 0 HD12 LEU A 63 18.105 27.795 24.946 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.135 26.039 25.232 1.00 15.00 H new ATOM 0 HD21 LEU A 63 19.698 25.293 22.704 1.00 15.00 H new ATOM 0 HD22 LEU A 63 18.246 24.460 23.310 1.00 15.00 H new ATOM 0 HD23 LEU A 63 18.285 25.082 21.643 1.00 15.00 H new ATOM 404 N PHE A 64 13.927 25.251 21.389 1.00 15.00 N ATOM 405 CA PHE A 64 12.475 25.125 21.368 1.00 15.00 C ATOM 406 C PHE A 64 11.949 24.645 22.719 1.00 15.00 C ATOM 407 O PHE A 64 12.465 23.683 23.287 1.00 15.00 O ATOM 408 CB PHE A 64 12.055 24.140 20.276 1.00 15.00 C ATOM 409 CG PHE A 64 12.406 24.603 18.882 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.542 25.462 18.191 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.596 24.175 18.281 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.869 25.891 16.899 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.922 24.604 16.990 1.00 15.00 C ATOM 414 CZ PHE A 64 13.059 25.463 16.298 1.00 15.00 C ATOM 0 H PHE A 64 14.431 24.382 21.215 1.00 15.00 H new ATOM 0 HA PHE A 64 12.050 26.107 21.160 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.532 23.178 20.462 1.00 15.00 H new ATOM 0 HB3 PHE A 64 10.979 23.979 20.337 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.624 25.793 18.654 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.262 23.513 18.814 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.203 26.553 16.365 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.840 24.273 16.527 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.311 25.795 15.302 1.00 15.00 H new ATOM 424 N TYR A 65 10.922 25.320 23.231 1.00 15.00 N ATOM 425 CA TYR A 65 10.269 24.892 24.466 1.00 15.00 C ATOM 426 C TYR A 65 8.784 24.662 24.206 1.00 15.00 C ATOM 427 O TYR A 65 8.167 25.389 23.430 1.00 15.00 O ATOM 428 CB TYR A 65 10.441 25.954 25.554 1.00 15.00 C ATOM 429 CG TYR A 65 10.033 25.476 26.928 1.00 15.00 C ATOM 430 CD1 TYR A 65 10.953 24.783 27.725 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.739 25.720 27.405 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.580 24.336 28.997 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.365 25.270 28.678 1.00 15.00 C ATOM 434 CZ TYR A 65 9.286 24.579 29.474 1.00 15.00 C ATOM 435 OH TYR A 65 8.922 24.132 30.729 1.00 15.00 O ATOM 0 H TYR A 65 10.526 26.161 22.812 1.00 15.00 H new ATOM 0 HA TYR A 65 10.729 23.964 24.804 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.484 26.269 25.582 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.850 26.831 25.292 1.00 15.00 H new ATOM 0 HD1 TYR A 65 11.951 24.594 27.357 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.029 26.255 26.791 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.290 23.803 29.612 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.366 25.456 29.045 1.00 15.00 H new ATOM 0 HH TYR A 65 8.129 24.621 31.033 1.00 15.00 H new ATOM 445 N THR A 66 8.211 23.649 24.852 1.00 15.00 N ATOM 446 CA THR A 66 6.809 23.304 24.626 1.00 15.00 C ATOM 447 C THR A 66 5.948 23.706 25.820 1.00 15.00 C ATOM 448 O THR A 66 6.368 23.587 26.971 1.00 15.00 O ATOM 449 CB THR A 66 6.679 21.797 24.388 1.00 15.00 C ATOM 450 OG1 THR A 66 7.563 21.407 23.347 1.00 15.00 O ATOM 451 CG2 THR A 66 5.241 21.461 23.992 1.00 15.00 C ATOM 0 H THR A 66 8.691 23.057 25.530 1.00 15.00 H new ATOM 0 HA THR A 66 6.461 23.848 23.748 1.00 15.00 H new ATOM 0 HB THR A 66 6.934 21.261 25.303 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.483 20.442 23.194 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.151 20.388 23.823 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.564 21.760 24.792 1.00 15.00 H new ATOM 0 HG23 THR A 66 4.981 21.995 23.078 1.00 15.00 H new ATOM 459 N LEU A 67 4.741 24.180 25.530 1.00 15.00 N ATOM 460 CA LEU A 67 3.805 24.576 26.575 1.00 15.00 C ATOM 461 C LEU A 67 3.019 23.371 27.081 1.00 15.00 C ATOM 462 O LEU A 67 2.412 22.644 26.297 1.00 15.00 O ATOM 463 CB LEU A 67 2.831 25.620 26.020 1.00 15.00 C ATOM 464 CG LEU A 67 3.580 26.918 25.713 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.656 27.871 24.951 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.015 27.577 27.025 1.00 15.00 C ATOM 0 H LEU A 67 4.388 24.299 24.580 1.00 15.00 H new ATOM 0 HA LEU A 67 4.371 24.999 27.405 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.355 25.242 25.115 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.037 25.810 26.742 1.00 15.00 H new ATOM 0 HG LEU A 67 4.458 26.696 25.106 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.189 28.796 24.732 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.341 27.404 24.018 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.780 28.092 25.560 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.549 28.502 26.808 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.136 27.799 27.630 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.670 26.900 27.573 1.00 15.00 H new ATOM 478 N LYS A 68 3.007 23.194 28.400 1.00 15.00 N ATOM 479 CA LYS A 68 2.302 22.075 29.017 1.00 15.00 C ATOM 480 C LYS A 68 1.344 22.575 30.095 1.00 15.00 C ATOM 481 O LYS A 68 1.650 23.516 30.828 1.00 15.00 O ATOM 482 CB LYS A 68 3.309 21.105 29.640 1.00 15.00 C ATOM 483 CG LYS A 68 2.575 19.859 30.141 1.00 15.00 C ATOM 484 CD LYS A 68 3.569 18.927 30.837 1.00 15.00 C ATOM 485 CE LYS A 68 2.870 17.615 31.201 1.00 15.00 C ATOM 486 NZ LYS A 68 1.937 17.848 32.338 1.00 15.00 N ATOM 0 H LYS A 68 3.478 23.811 29.062 1.00 15.00 H new ATOM 0 HA LYS A 68 1.729 21.561 28.246 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.063 20.825 28.904 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.833 21.588 30.465 1.00 15.00 H new ATOM 0 HG2 LYS A 68 1.782 20.144 30.832 1.00 15.00 H new ATOM 0 HG3 LYS A 68 2.100 19.344 29.306 1.00 15.00 H new ATOM 0 HD2 LYS A 68 4.418 18.730 30.183 1.00 15.00 H new ATOM 0 HD3 LYS A 68 3.963 19.403 31.735 1.00 15.00 H new ATOM 0 HE2 LYS A 68 2.322 17.231 30.340 1.00 15.00 H new ATOM 0 HE3 LYS A 68 3.608 16.860 31.471 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 1.565 16.937 32.674 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 2.445 18.321 33.112 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 1.149 18.449 32.023 1.00 15.00 H new ATOM 500 N THR A 69 0.189 21.926 30.206 1.00 15.00 N ATOM 501 CA THR A 69 -0.827 22.339 31.173 1.00 15.00 C ATOM 502 C THR A 69 -0.242 22.462 32.579 1.00 15.00 C ATOM 503 O THR A 69 0.520 21.603 33.024 1.00 15.00 O ATOM 504 CB THR A 69 -1.976 21.329 31.185 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.939 21.723 32.152 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.439 19.940 31.533 1.00 15.00 C ATOM 0 H THR A 69 -0.068 21.116 29.642 1.00 15.00 H new ATOM 0 HA THR A 69 -1.198 23.318 30.870 1.00 15.00 H new ATOM 0 HB THR A 69 -2.440 21.297 30.199 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.677 21.078 32.160 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.261 19.224 31.541 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.701 19.638 30.789 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.972 19.967 32.517 1.00 15.00 H new ATOM 514 N GLY A 70 -0.607 23.539 33.269 1.00 15.00 N ATOM 515 CA GLY A 70 -0.106 23.787 34.619 1.00 15.00 C ATOM 516 C GLY A 70 0.874 24.961 34.660 1.00 15.00 C ATOM 517 O GLY A 70 0.990 25.637 35.682 1.00 15.00 O ATOM 0 H GLY A 70 -1.246 24.252 32.918 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -0.944 23.991 35.285 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.387 22.890 34.993 1.00 15.00 H new ATOM 521 N GLU A 71 1.582 25.207 33.557 1.00 15.00 N ATOM 522 CA GLU A 71 2.534 26.313 33.495 1.00 15.00 C ATOM 523 C GLU A 71 2.037 27.385 32.530 1.00 15.00 C ATOM 524 O GLU A 71 1.419 27.075 31.511 1.00 15.00 O ATOM 525 CB GLU A 71 3.897 25.801 33.027 1.00 15.00 C ATOM 526 CG GLU A 71 4.946 26.905 33.206 1.00 15.00 C ATOM 527 CD GLU A 71 6.320 26.484 32.673 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.436 25.411 32.096 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.251 27.248 32.863 1.00 15.00 O ATOM 0 H GLU A 71 1.514 24.658 32.700 1.00 15.00 H new ATOM 0 HA GLU A 71 2.630 26.746 34.491 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.182 24.918 33.599 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.845 25.500 31.981 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.617 27.805 32.688 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.029 27.158 34.263 1.00 15.00 H new ATOM 536 N THR A 72 2.307 28.647 32.854 1.00 15.00 N ATOM 537 CA THR A 72 1.869 29.762 32.016 1.00 15.00 C ATOM 538 C THR A 72 3.068 30.484 31.408 1.00 15.00 C ATOM 539 O THR A 72 4.200 30.345 31.871 1.00 15.00 O ATOM 540 CB THR A 72 1.044 30.755 32.840 1.00 15.00 C ATOM 541 OG1 THR A 72 1.865 31.328 33.848 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.143 30.037 33.487 1.00 15.00 C ATOM 0 H THR A 72 2.825 28.923 33.688 1.00 15.00 H new ATOM 0 HA THR A 72 1.253 29.358 31.213 1.00 15.00 H new ATOM 0 HB THR A 72 0.668 31.542 32.186 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.339 31.965 34.375 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.725 30.750 34.071 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.774 29.604 32.710 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.223 29.245 34.141 1.00 15.00 H new ATOM 550 N VAL A 73 2.810 31.277 30.372 1.00 15.00 N ATOM 551 CA VAL A 73 3.877 32.004 29.693 1.00 15.00 C ATOM 552 C VAL A 73 4.622 32.896 30.687 1.00 15.00 C ATOM 553 O VAL A 73 5.850 32.967 30.671 1.00 15.00 O ATOM 554 CB VAL A 73 3.292 32.853 28.557 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.413 33.577 27.804 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.536 31.949 27.578 1.00 15.00 C ATOM 0 H VAL A 73 1.878 31.432 29.987 1.00 15.00 H new ATOM 0 HA VAL A 73 4.581 31.286 29.271 1.00 15.00 H new ATOM 0 HB VAL A 73 2.612 33.590 28.985 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.984 34.176 27.001 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.953 34.227 28.492 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.101 32.844 27.383 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.121 32.553 26.771 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.221 31.210 27.162 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.728 31.440 28.103 1.00 15.00 H new ATOM 566 N ALA A 74 3.874 33.553 31.566 1.00 15.00 N ATOM 567 CA ALA A 74 4.482 34.446 32.546 1.00 15.00 C ATOM 568 C ALA A 74 5.461 33.682 33.435 1.00 15.00 C ATOM 569 O ALA A 74 6.541 34.182 33.749 1.00 15.00 O ATOM 570 CB ALA A 74 3.398 35.105 33.403 1.00 15.00 C ATOM 0 H ALA A 74 2.858 33.486 31.621 1.00 15.00 H new ATOM 0 HA ALA A 74 5.032 35.221 32.012 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.864 35.769 34.131 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.728 35.680 32.764 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.830 34.336 33.925 1.00 15.00 H new ATOM 576 N ASP A 75 5.096 32.460 33.817 1.00 15.00 N ATOM 577 CA ASP A 75 5.959 31.658 34.677 1.00 15.00 C ATOM 578 C ASP A 75 7.300 31.403 33.997 1.00 15.00 C ATOM 579 O ASP A 75 8.358 31.551 34.609 1.00 15.00 O ATOM 580 CB ASP A 75 5.286 30.319 35.001 1.00 15.00 C ATOM 581 CG ASP A 75 4.039 30.523 35.862 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.947 31.537 36.536 1.00 15.00 O ATOM 583 OD2 ASP A 75 3.188 29.648 35.839 1.00 15.00 O ATOM 0 H ASP A 75 4.221 32.010 33.549 1.00 15.00 H new ATOM 0 HA ASP A 75 6.129 32.209 35.602 1.00 15.00 H new ATOM 0 HB2 ASP A 75 5.013 29.812 34.075 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.990 29.672 35.523 1.00 15.00 H new ATOM 588 N LEU A 76 7.251 31.049 32.717 1.00 15.00 N ATOM 589 CA LEU A 76 8.475 30.794 31.962 1.00 15.00 C ATOM 590 C LEU A 76 9.372 32.026 31.973 1.00 15.00 C ATOM 591 O LEU A 76 10.577 31.933 32.204 1.00 15.00 O ATOM 592 CB LEU A 76 8.133 30.432 30.515 1.00 15.00 C ATOM 593 CG LEU A 76 7.507 29.038 30.464 1.00 15.00 C ATOM 594 CD1 LEU A 76 6.710 28.883 29.167 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.617 27.985 30.502 1.00 15.00 C ATOM 0 H LEU A 76 6.389 30.933 32.185 1.00 15.00 H new ATOM 0 HA LEU A 76 9.002 29.963 32.431 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.442 31.166 30.100 1.00 15.00 H new ATOM 0 HB3 LEU A 76 9.033 30.459 29.901 1.00 15.00 H new ATOM 0 HG LEU A 76 6.843 28.906 31.318 1.00 15.00 H new ATOM 0 HD11 LEU A 76 6.264 27.889 29.131 1.00 15.00 H new ATOM 0 HD12 LEU A 76 5.923 29.636 29.132 1.00 15.00 H new ATOM 0 HD13 LEU A 76 7.375 29.013 28.313 1.00 15.00 H new ATOM 0 HD21 LEU A 76 8.175 26.989 30.466 1.00 15.00 H new ATOM 0 HD22 LEU A 76 9.277 28.121 29.645 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.191 28.094 31.422 1.00 15.00 H new ATOM 607 N SER A 77 8.766 33.185 31.750 1.00 15.00 N ATOM 608 CA SER A 77 9.517 34.432 31.679 1.00 15.00 C ATOM 609 C SER A 77 10.256 34.706 32.984 1.00 15.00 C ATOM 610 O SER A 77 11.411 35.128 32.972 1.00 15.00 O ATOM 611 CB SER A 77 8.562 35.588 31.382 1.00 15.00 C ATOM 612 OG SER A 77 9.315 36.741 31.037 1.00 15.00 O ATOM 0 H SER A 77 7.760 33.288 31.616 1.00 15.00 H new ATOM 0 HA SER A 77 10.254 34.342 30.881 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.891 35.320 30.566 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.939 35.793 32.253 1.00 15.00 H new ATOM 0 HG SER A 77 10.122 36.783 31.592 1.00 15.00 H new ATOM 618 N LYS A 78 9.581 34.473 34.104 1.00 15.00 N ATOM 619 CA LYS A 78 10.171 34.742 35.411 1.00 15.00 C ATOM 620 C LYS A 78 11.401 33.871 35.650 1.00 15.00 C ATOM 621 O LYS A 78 12.442 34.358 36.091 1.00 15.00 O ATOM 622 CB LYS A 78 9.134 34.480 36.507 1.00 15.00 C ATOM 623 CG LYS A 78 9.700 34.902 37.866 1.00 15.00 C ATOM 624 CD LYS A 78 8.624 34.731 38.942 1.00 15.00 C ATOM 625 CE LYS A 78 8.336 33.243 39.145 1.00 15.00 C ATOM 626 NZ LYS A 78 7.654 33.042 40.454 1.00 15.00 N ATOM 0 H LYS A 78 8.632 34.101 34.134 1.00 15.00 H new ATOM 0 HA LYS A 78 10.482 35.786 35.438 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.219 35.034 36.295 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.869 33.423 36.525 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.574 34.299 38.111 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.030 35.940 37.828 1.00 15.00 H new ATOM 0 HD2 LYS A 78 8.957 35.179 39.878 1.00 15.00 H new ATOM 0 HD3 LYS A 78 7.713 35.251 38.646 1.00 15.00 H new ATOM 0 HE2 LYS A 78 7.709 32.869 38.335 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.266 32.675 39.116 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 7.458 32.030 40.592 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 8.268 33.384 41.221 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 6.759 33.572 40.464 1.00 15.00 H new ATOM 640 N SER A 79 11.274 32.582 35.356 1.00 15.00 N ATOM 641 CA SER A 79 12.363 31.642 35.599 1.00 15.00 C ATOM 642 C SER A 79 13.600 32.011 34.786 1.00 15.00 C ATOM 643 O SER A 79 14.721 31.978 35.294 1.00 15.00 O ATOM 644 CB SER A 79 11.918 30.226 35.234 1.00 15.00 C ATOM 645 OG SER A 79 12.917 29.301 35.648 1.00 15.00 O ATOM 0 H SER A 79 10.435 32.166 34.952 1.00 15.00 H new ATOM 0 HA SER A 79 12.619 31.687 36.658 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.968 29.994 35.717 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.756 30.148 34.159 1.00 15.00 H new ATOM 0 HG SER A 79 12.636 28.391 35.418 1.00 15.00 H new ATOM 651 N GLN A 80 13.388 32.362 33.523 1.00 15.00 N ATOM 652 CA GLN A 80 14.497 32.708 32.634 1.00 15.00 C ATOM 653 C GLN A 80 15.025 34.135 32.843 1.00 15.00 C ATOM 654 O GLN A 80 16.004 34.523 32.205 1.00 15.00 O ATOM 655 CB GLN A 80 14.053 32.544 31.180 1.00 15.00 C ATOM 656 CG GLN A 80 13.721 31.073 30.915 1.00 15.00 C ATOM 657 CD GLN A 80 13.190 30.888 29.495 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.773 31.850 28.848 1.00 15.00 O ATOM 659 NE2 GLN A 80 13.177 29.694 28.969 1.00 15.00 N ATOM 0 H GLN A 80 12.466 32.415 33.091 1.00 15.00 H new ATOM 0 HA GLN A 80 15.315 32.029 32.874 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.181 33.167 30.982 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.843 32.877 30.507 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.612 30.462 31.058 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.979 30.727 31.634 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.522 28.897 29.504 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.822 29.557 28.023 1.00 15.00 H new ATOM 668 N ASP A 81 14.395 34.915 33.724 1.00 15.00 N ATOM 669 CA ASP A 81 14.827 36.289 33.960 1.00 15.00 C ATOM 670 C ASP A 81 14.775 37.095 32.661 1.00 15.00 C ATOM 671 O ASP A 81 15.676 37.875 32.354 1.00 15.00 O ATOM 672 CB ASP A 81 16.250 36.294 34.527 1.00 15.00 C ATOM 673 CG ASP A 81 16.632 37.701 34.970 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.255 38.079 36.067 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.298 38.382 34.206 1.00 15.00 O ATOM 0 H ASP A 81 13.592 34.620 34.280 1.00 15.00 H new ATOM 0 HA ASP A 81 14.153 36.752 34.681 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.316 35.608 35.372 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.952 35.939 33.772 1.00 15.00 H new ATOM 680 N ILE A 82 13.698 36.899 31.905 1.00 15.00 N ATOM 681 CA ILE A 82 13.505 37.602 30.639 1.00 15.00 C ATOM 682 C ILE A 82 12.266 38.488 30.728 1.00 15.00 C ATOM 683 O ILE A 82 11.321 38.173 31.452 1.00 15.00 O ATOM 684 CB ILE A 82 13.345 36.594 29.494 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.570 35.674 29.442 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.224 37.337 28.159 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.332 34.559 28.424 1.00 15.00 C ATOM 0 H ILE A 82 12.943 36.257 32.148 1.00 15.00 H new ATOM 0 HA ILE A 82 14.378 38.223 30.440 1.00 15.00 H new ATOM 0 HB ILE A 82 12.446 36.003 29.667 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.456 36.247 29.168 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.758 35.247 30.427 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.111 36.615 27.350 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.354 37.993 28.185 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.122 37.932 27.991 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.204 33.906 28.389 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.457 33.979 28.717 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.165 34.995 27.439 1.00 15.00 H new ATOM 699 N ASN A 83 12.280 39.603 30.004 1.00 15.00 N ATOM 700 CA ASN A 83 11.148 40.523 30.021 1.00 15.00 C ATOM 701 C ASN A 83 10.074 40.070 29.037 1.00 15.00 C ATOM 702 O ASN A 83 10.372 39.670 27.910 1.00 15.00 O ATOM 703 CB ASN A 83 11.617 41.933 29.656 1.00 15.00 C ATOM 704 CG ASN A 83 12.589 42.458 30.709 1.00 15.00 C ATOM 705 OD1 ASN A 83 12.590 41.992 31.848 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.425 43.409 30.392 1.00 15.00 N ATOM 0 H ASN A 83 13.054 39.889 29.404 1.00 15.00 H new ATOM 0 HA ASN A 83 10.724 40.530 31.025 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.100 41.921 28.679 1.00 15.00 H new ATOM 0 HB3 ASN A 83 10.759 42.600 29.579 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.079 43.766 31.088 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.424 43.795 29.448 1.00 15.00 H new ATOM 713 N LEU A 84 8.816 40.146 29.463 1.00 15.00 N ATOM 714 CA LEU A 84 7.709 39.730 28.608 1.00 15.00 C ATOM 715 C LEU A 84 7.723 40.493 27.285 1.00 15.00 C ATOM 716 O LEU A 84 7.431 39.924 26.234 1.00 15.00 O ATOM 717 CB LEU A 84 6.375 39.963 29.324 1.00 15.00 C ATOM 718 CG LEU A 84 6.322 39.137 30.613 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.054 39.487 31.394 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.297 37.647 30.266 1.00 15.00 C ATOM 0 H LEU A 84 8.540 40.487 30.384 1.00 15.00 H new ATOM 0 HA LEU A 84 7.826 38.667 28.396 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.257 41.022 29.555 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.548 39.685 28.670 1.00 15.00 H new ATOM 0 HG LEU A 84 7.201 39.360 31.218 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.017 38.899 32.311 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.062 40.548 31.644 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.178 39.264 30.785 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.259 37.060 31.184 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.418 37.429 29.660 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.196 37.389 29.707 1.00 15.00 H new ATOM 732 N SER A 85 8.088 41.771 27.332 1.00 15.00 N ATOM 733 CA SER A 85 8.129 42.584 26.121 1.00 15.00 C ATOM 734 C SER A 85 9.093 41.975 25.108 1.00 15.00 C ATOM 735 O SER A 85 8.780 41.869 23.922 1.00 15.00 O ATOM 736 CB SER A 85 8.573 44.007 26.461 1.00 15.00 C ATOM 737 OG SER A 85 8.425 44.829 25.311 1.00 15.00 O ATOM 0 H SER A 85 8.357 42.261 28.185 1.00 15.00 H new ATOM 0 HA SER A 85 7.129 42.613 25.687 1.00 15.00 H new ATOM 0 HB2 SER A 85 7.976 44.401 27.284 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.611 44.008 26.792 1.00 15.00 H new ATOM 0 HG SER A 85 8.707 45.743 25.524 1.00 15.00 H new ATOM 743 N THR A 86 10.258 41.548 25.585 1.00 15.00 N ATOM 744 CA THR A 86 11.261 40.960 24.703 1.00 15.00 C ATOM 745 C THR A 86 10.723 39.694 24.043 1.00 15.00 C ATOM 746 O THR A 86 10.870 39.492 22.836 1.00 15.00 O ATOM 747 CB THR A 86 12.525 40.629 25.500 1.00 15.00 C ATOM 748 OG1 THR A 86 12.963 41.789 26.193 1.00 15.00 O ATOM 749 CG2 THR A 86 13.624 40.155 24.548 1.00 15.00 C ATOM 0 H THR A 86 10.530 41.597 26.567 1.00 15.00 H new ATOM 0 HA THR A 86 11.502 41.683 23.924 1.00 15.00 H new ATOM 0 HB THR A 86 12.305 39.838 26.217 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.771 41.578 26.705 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.523 39.920 25.118 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.287 39.264 24.018 1.00 15.00 H new ATOM 0 HG23 THR A 86 13.847 40.943 23.828 1.00 15.00 H new ATOM 757 N ILE A 87 10.064 38.854 24.835 1.00 15.00 N ATOM 758 CA ILE A 87 9.536 37.592 24.323 1.00 15.00 C ATOM 759 C ILE A 87 8.579 37.859 23.162 1.00 15.00 C ATOM 760 O ILE A 87 8.643 37.200 22.127 1.00 15.00 O ATOM 761 CB ILE A 87 8.809 36.833 25.442 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.774 36.592 26.607 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.312 35.481 24.922 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.011 35.995 27.791 1.00 15.00 C ATOM 0 H ILE A 87 9.883 39.021 25.825 1.00 15.00 H new ATOM 0 HA ILE A 87 10.365 36.981 23.964 1.00 15.00 H new ATOM 0 HB ILE A 87 7.960 37.428 25.778 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.572 35.917 26.298 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.246 37.529 26.901 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.798 34.950 25.723 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.624 35.641 24.092 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.161 34.888 24.580 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.699 35.824 28.619 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.229 36.686 28.106 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.560 35.048 27.493 1.00 15.00 H new ATOM 776 N TRP A 88 7.705 38.842 23.342 1.00 15.00 N ATOM 777 CA TRP A 88 6.747 39.195 22.299 1.00 15.00 C ATOM 778 C TRP A 88 7.456 39.621 21.017 1.00 15.00 C ATOM 779 O TRP A 88 7.126 39.144 19.931 1.00 15.00 O ATOM 780 CB TRP A 88 5.841 40.328 22.783 1.00 15.00 C ATOM 781 CG TRP A 88 4.796 40.719 21.786 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.842 39.895 21.298 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.583 42.014 21.152 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.057 40.598 20.403 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.473 41.909 20.279 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.236 43.255 21.246 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.029 43.000 19.527 1.00 15.00 C ATOM 788 CZ3 TRP A 88 4.793 44.352 20.493 1.00 15.00 C ATOM 789 CH2 TRP A 88 3.692 44.226 19.635 1.00 15.00 C ATOM 0 H TRP A 88 7.639 39.404 24.191 1.00 15.00 H new ATOM 0 HA TRP A 88 6.147 38.311 22.082 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.353 40.023 23.709 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.454 41.199 23.017 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.714 38.856 21.564 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.267 40.197 19.896 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.086 43.365 21.903 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.180 42.897 18.867 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 5.304 45.300 20.575 1.00 15.00 H new ATOM 0 HH2 TRP A 88 3.356 45.075 19.058 1.00 15.00 H new ATOM 800 N SER A 89 8.456 40.488 21.141 1.00 15.00 N ATOM 801 CA SER A 89 9.144 41.014 19.964 1.00 15.00 C ATOM 802 C SER A 89 9.681 39.888 19.084 1.00 15.00 C ATOM 803 O SER A 89 9.634 39.979 17.857 1.00 15.00 O ATOM 804 CB SER A 89 10.302 41.915 20.399 1.00 15.00 C ATOM 805 OG SER A 89 11.320 41.117 20.986 1.00 15.00 O ATOM 0 H SER A 89 8.806 40.839 22.033 1.00 15.00 H new ATOM 0 HA SER A 89 8.423 41.589 19.383 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.698 42.458 19.541 1.00 15.00 H new ATOM 0 HB3 SER A 89 9.950 42.660 21.113 1.00 15.00 H new ATOM 0 HG SER A 89 11.024 40.805 21.867 1.00 15.00 H new ATOM 811 N LEU A 90 10.189 38.830 19.710 1.00 15.00 N ATOM 812 CA LEU A 90 10.715 37.696 18.957 1.00 15.00 C ATOM 813 C LEU A 90 9.596 36.871 18.321 1.00 15.00 C ATOM 814 O LEU A 90 9.589 36.644 17.111 1.00 15.00 O ATOM 815 CB LEU A 90 11.538 36.799 19.885 1.00 15.00 C ATOM 816 CG LEU A 90 12.714 37.592 20.460 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.424 36.752 21.525 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.701 37.926 19.340 1.00 15.00 C ATOM 0 H LEU A 90 10.247 38.734 20.724 1.00 15.00 H new ATOM 0 HA LEU A 90 11.343 38.090 18.158 1.00 15.00 H new ATOM 0 HB2 LEU A 90 10.911 36.423 20.693 1.00 15.00 H new ATOM 0 HB3 LEU A 90 11.905 35.932 19.336 1.00 15.00 H new ATOM 0 HG LEU A 90 12.344 38.514 20.908 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.262 37.316 21.935 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.724 36.510 22.324 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.793 35.830 21.075 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.539 38.491 19.750 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.070 37.003 18.893 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.199 38.523 18.578 1.00 15.00 H new ATOM 830 N ASN A 91 8.630 36.451 19.134 1.00 15.00 N ATOM 831 CA ASN A 91 7.571 35.560 18.655 1.00 15.00 C ATOM 832 C ASN A 91 6.373 36.301 18.050 1.00 15.00 C ATOM 833 O ASN A 91 5.353 35.679 17.751 1.00 15.00 O ATOM 834 CB ASN A 91 7.088 34.677 19.807 1.00 15.00 C ATOM 835 CG ASN A 91 8.226 33.779 20.280 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.165 32.559 20.127 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.273 34.310 20.849 1.00 15.00 N ATOM 0 H ASN A 91 8.556 36.709 20.118 1.00 15.00 H new ATOM 0 HA ASN A 91 8.007 34.960 17.856 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.736 35.298 20.631 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.243 34.069 19.482 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.038 33.715 21.166 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.326 35.321 20.977 1.00 15.00 H new ATOM 844 N LYS A 92 6.477 37.615 17.868 1.00 15.00 N ATOM 845 CA LYS A 92 5.401 38.387 17.250 1.00 15.00 C ATOM 846 C LYS A 92 4.939 37.776 15.922 1.00 15.00 C ATOM 847 O LYS A 92 3.784 37.946 15.532 1.00 15.00 O ATOM 848 CB LYS A 92 5.856 39.841 17.059 1.00 15.00 C ATOM 849 CG LYS A 92 6.968 39.933 16.006 1.00 15.00 C ATOM 850 CD LYS A 92 7.486 41.371 15.935 1.00 15.00 C ATOM 851 CE LYS A 92 8.360 41.538 14.690 1.00 15.00 C ATOM 852 NZ LYS A 92 7.509 41.451 13.470 1.00 15.00 N ATOM 0 H LYS A 92 7.292 38.166 18.138 1.00 15.00 H new ATOM 0 HA LYS A 92 4.540 38.363 17.918 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.008 40.454 16.753 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.214 40.242 18.007 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.782 39.254 16.261 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.588 39.624 15.032 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.649 42.069 15.901 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.061 41.606 16.830 1.00 15.00 H new ATOM 0 HE2 LYS A 92 8.874 42.499 14.720 1.00 15.00 H new ATOM 0 HE3 LYS A 92 9.129 40.766 14.666 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 7.968 41.962 12.689 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 7.383 40.453 13.205 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 6.580 41.877 13.663 1.00 15.00 H new ATOM 866 N HIS A 93 5.841 37.088 15.224 1.00 15.00 N ATOM 867 CA HIS A 93 5.486 36.470 13.950 1.00 15.00 C ATOM 868 C HIS A 93 4.617 35.229 14.158 1.00 15.00 C ATOM 869 O HIS A 93 3.714 34.959 13.365 1.00 15.00 O ATOM 870 CB HIS A 93 6.754 36.121 13.161 1.00 15.00 C ATOM 871 CG HIS A 93 7.545 34.960 13.708 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.494 35.105 14.709 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.555 33.627 13.375 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.033 33.894 14.937 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.496 32.957 14.152 1.00 15.00 N ATOM 0 H HIS A 93 6.809 36.946 15.514 1.00 15.00 H new ATOM 0 HA HIS A 93 4.901 37.187 13.374 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.473 35.897 12.132 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.399 36.999 13.132 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.739 35.973 15.186 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.928 33.169 12.624 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.806 33.703 15.666 1.00 15.00 H new ATOM 883 N LEU A 94 4.889 34.475 15.220 1.00 15.00 N ATOM 884 CA LEU A 94 4.127 33.258 15.497 1.00 15.00 C ATOM 885 C LEU A 94 2.704 33.580 15.943 1.00 15.00 C ATOM 886 O LEU A 94 1.751 32.919 15.528 1.00 15.00 O ATOM 887 CB LEU A 94 4.820 32.440 16.590 1.00 15.00 C ATOM 888 CG LEU A 94 6.244 32.086 16.157 1.00 15.00 C ATOM 889 CD1 LEU A 94 6.961 31.367 17.301 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.199 31.163 14.936 1.00 15.00 C ATOM 0 H LEU A 94 5.623 34.681 15.897 1.00 15.00 H new ATOM 0 HA LEU A 94 4.081 32.682 14.573 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.845 33.008 17.520 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.254 31.529 16.788 1.00 15.00 H new ATOM 0 HG LEU A 94 6.779 33.001 15.903 1.00 15.00 H new ATOM 0 HD11 LEU A 94 7.976 31.115 16.993 1.00 15.00 H new ATOM 0 HD12 LEU A 94 6.998 32.019 18.174 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.421 30.454 17.553 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.215 30.913 14.631 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.662 30.249 15.190 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.688 31.668 14.117 1.00 15.00 H new ATOM 902 N TYR A 95 2.563 34.597 16.790 1.00 15.00 N ATOM 903 CA TYR A 95 1.254 34.961 17.330 1.00 15.00 C ATOM 904 C TYR A 95 0.794 36.311 16.788 1.00 15.00 C ATOM 905 O TYR A 95 1.606 37.197 16.525 1.00 15.00 O ATOM 906 CB TYR A 95 1.326 35.021 18.857 1.00 15.00 C ATOM 907 CG TYR A 95 1.712 33.705 19.490 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.743 32.714 19.688 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.038 33.475 19.877 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.100 31.494 20.272 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.395 32.255 20.462 1.00 15.00 C ATOM 912 CZ TYR A 95 2.426 31.263 20.660 1.00 15.00 C ATOM 913 OH TYR A 95 2.774 30.060 21.238 1.00 15.00 O ATOM 0 H TYR A 95 3.333 35.181 17.116 1.00 15.00 H new ATOM 0 HA TYR A 95 0.534 34.203 17.023 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.049 35.783 19.150 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.357 35.334 19.247 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.280 32.891 19.390 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.785 34.239 19.724 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.352 30.729 20.424 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.418 32.078 20.761 1.00 15.00 H new ATOM 0 HH TYR A 95 3.581 29.711 20.806 1.00 15.00 H new ATOM 923 N SER A 96 -0.517 36.459 16.634 1.00 15.00 N ATOM 924 CA SER A 96 -1.081 37.676 16.060 1.00 15.00 C ATOM 925 C SER A 96 -0.923 38.863 17.005 1.00 15.00 C ATOM 926 O SER A 96 -0.601 39.971 16.573 1.00 15.00 O ATOM 927 CB SER A 96 -2.563 37.465 15.753 1.00 15.00 C ATOM 928 OG SER A 96 -2.709 36.323 14.920 1.00 15.00 O ATOM 0 H SER A 96 -1.207 35.755 16.897 1.00 15.00 H new ATOM 0 HA SER A 96 -0.538 37.896 15.141 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.123 37.329 16.678 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.973 38.346 15.259 1.00 15.00 H new ATOM 0 HG SER A 96 -3.658 36.182 14.721 1.00 15.00 H new ATOM 934 N SER A 97 -1.148 38.630 18.295 1.00 15.00 N ATOM 935 CA SER A 97 -1.096 39.713 19.273 1.00 15.00 C ATOM 936 C SER A 97 -0.717 39.190 20.655 1.00 15.00 C ATOM 937 O SER A 97 -0.676 37.982 20.888 1.00 15.00 O ATOM 938 CB SER A 97 -2.454 40.410 19.347 1.00 15.00 C ATOM 939 OG SER A 97 -3.394 39.538 19.959 1.00 15.00 O ATOM 0 H SER A 97 -1.366 37.713 18.684 1.00 15.00 H new ATOM 0 HA SER A 97 -0.333 40.422 18.952 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.371 41.334 19.919 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.791 40.683 18.347 1.00 15.00 H new ATOM 0 HG SER A 97 -4.266 39.981 20.010 1.00 15.00 H new ATOM 945 N GLU A 98 -0.442 40.117 21.568 1.00 15.00 N ATOM 946 CA GLU A 98 -0.066 39.757 22.932 1.00 15.00 C ATOM 947 C GLU A 98 -1.183 38.991 23.638 1.00 15.00 C ATOM 948 O GLU A 98 -0.919 38.097 24.442 1.00 15.00 O ATOM 949 CB GLU A 98 0.259 41.021 23.730 1.00 15.00 C ATOM 950 CG GLU A 98 1.480 41.718 23.119 1.00 15.00 C ATOM 951 CD GLU A 98 1.896 42.951 23.930 1.00 15.00 C ATOM 952 OE1 GLU A 98 1.157 43.365 24.811 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.965 43.470 23.651 1.00 15.00 O ATOM 0 H GLU A 98 -0.472 41.121 21.389 1.00 15.00 H new ATOM 0 HA GLU A 98 0.811 39.112 22.876 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.597 41.696 23.725 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.457 40.765 24.771 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.313 41.016 23.071 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.254 42.016 22.095 1.00 15.00 H new ATOM 960 N SER A 99 -2.433 39.337 23.338 1.00 15.00 N ATOM 961 CA SER A 99 -3.569 38.703 24.002 1.00 15.00 C ATOM 962 C SER A 99 -3.520 37.187 23.834 1.00 15.00 C ATOM 963 O SER A 99 -3.726 36.438 24.790 1.00 15.00 O ATOM 964 CB SER A 99 -4.877 39.239 23.421 1.00 15.00 C ATOM 965 OG SER A 99 -5.966 38.761 24.199 1.00 15.00 O ATOM 0 H SER A 99 -2.683 40.045 22.647 1.00 15.00 H new ATOM 0 HA SER A 99 -3.517 38.938 25.065 1.00 15.00 H new ATOM 0 HB2 SER A 99 -4.868 40.329 23.418 1.00 15.00 H new ATOM 0 HB3 SER A 99 -4.987 38.919 22.385 1.00 15.00 H new ATOM 0 HG SER A 99 -6.807 39.104 23.830 1.00 15.00 H new ATOM 971 N GLU A 100 -3.207 36.737 22.624 1.00 15.00 N ATOM 972 CA GLU A 100 -3.138 35.305 22.350 1.00 15.00 C ATOM 973 C GLU A 100 -2.066 34.629 23.204 1.00 15.00 C ATOM 974 O GLU A 100 -2.240 33.486 23.629 1.00 15.00 O ATOM 975 CB GLU A 100 -2.856 35.071 20.865 1.00 15.00 C ATOM 976 CG GLU A 100 -4.054 35.562 20.044 1.00 15.00 C ATOM 977 CD GLU A 100 -3.869 35.289 18.549 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.757 35.008 18.129 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.851 35.398 17.833 1.00 15.00 O ATOM 0 H GLU A 100 -2.999 37.335 21.824 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.100 34.862 22.607 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.952 35.602 20.566 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.681 34.012 20.678 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.961 35.069 20.394 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.190 36.632 20.204 1.00 15.00 H new ATOM 986 N MET A 101 -0.962 35.329 23.456 1.00 15.00 N ATOM 987 CA MET A 101 0.105 34.775 24.281 1.00 15.00 C ATOM 988 C MET A 101 -0.371 34.562 25.716 1.00 15.00 C ATOM 989 O MET A 101 -0.194 33.485 26.285 1.00 15.00 O ATOM 990 CB MET A 101 1.310 35.717 24.280 1.00 15.00 C ATOM 991 CG MET A 101 1.883 35.815 22.865 1.00 15.00 C ATOM 992 SD MET A 101 3.432 36.751 22.905 1.00 15.00 S ATOM 993 CE MET A 101 4.449 35.481 23.698 1.00 15.00 C ATOM 0 H MET A 101 -0.785 36.270 23.105 1.00 15.00 H new ATOM 0 HA MET A 101 0.393 33.811 23.861 1.00 15.00 H new ATOM 0 HB2 MET A 101 1.013 36.705 24.632 1.00 15.00 H new ATOM 0 HB3 MET A 101 2.072 35.350 24.967 1.00 15.00 H new ATOM 0 HG2 MET A 101 2.059 34.817 22.462 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.167 36.304 22.204 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.342 35.304 23.099 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.740 35.817 24.693 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.878 34.556 23.780 1.00 15.00 H new ATOM 1003 N MET A 102 -1.029 35.569 26.277 1.00 15.00 N ATOM 1004 CA MET A 102 -1.504 35.486 27.656 1.00 15.00 C ATOM 1005 C MET A 102 -2.471 34.318 27.841 1.00 15.00 C ATOM 1006 O MET A 102 -2.455 33.646 28.871 1.00 15.00 O ATOM 1007 CB MET A 102 -2.203 36.791 28.044 1.00 15.00 C ATOM 1008 CG MET A 102 -1.195 37.942 28.006 1.00 15.00 C ATOM 1009 SD MET A 102 -1.962 39.437 28.679 1.00 15.00 S ATOM 1010 CE MET A 102 -1.971 38.927 30.415 1.00 15.00 C ATOM 0 H MET A 102 -1.245 36.447 25.805 1.00 15.00 H new ATOM 0 HA MET A 102 -0.640 35.322 28.300 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.027 36.992 27.359 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.633 36.703 29.042 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.309 37.683 28.585 1.00 15.00 H new ATOM 0 HG3 MET A 102 -0.866 38.118 26.982 1.00 15.00 H new ATOM 0 HE1 MET A 102 -1.526 39.712 31.027 1.00 15.00 H new ATOM 0 HE2 MET A 102 -2.997 38.753 30.738 1.00 15.00 H new ATOM 0 HE3 MET A 102 -1.395 38.009 30.527 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.310 34.084 26.837 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.297 33.007 26.903 1.00 15.00 C ATOM 1022 C LYS A 103 -3.782 31.695 26.295 1.00 15.00 C ATOM 1023 O LYS A 103 -4.577 30.802 25.999 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.567 33.433 26.163 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.133 34.702 26.804 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.527 34.991 26.240 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.428 35.305 24.746 1.00 15.00 C ATOM 1028 NZ LYS A 103 -8.713 35.897 24.276 1.00 15.00 N ATOM 0 H LYS A 103 -3.328 34.622 25.971 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.503 32.824 27.958 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.344 33.613 25.111 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.307 32.634 26.200 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.186 34.581 27.886 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.470 35.545 26.610 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -8.178 34.131 26.398 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -7.976 35.832 26.769 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -6.607 35.999 24.563 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.208 34.396 24.186 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -8.646 36.111 23.260 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.486 35.221 24.437 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -8.904 36.773 24.802 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.468 31.566 26.106 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.899 30.360 25.510 1.00 15.00 C ATOM 1044 C ALA A 104 -2.343 29.110 26.264 1.00 15.00 C ATOM 1045 O ALA A 104 -2.547 29.140 27.477 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.371 30.446 25.524 1.00 15.00 C ATOM 0 H ALA A 104 -1.782 32.279 26.356 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.257 30.289 24.483 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.048 29.544 25.078 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.050 31.316 24.952 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.021 30.539 26.552 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.491 28.013 25.528 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.924 26.747 26.111 1.00 15.00 C ATOM 1054 C ALA A 105 -1.937 25.627 25.765 1.00 15.00 C ATOM 1055 O ALA A 105 -1.063 25.822 24.918 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.314 26.381 25.586 1.00 15.00 C ATOM 0 H ALA A 105 -2.317 27.975 24.524 1.00 15.00 H new ATOM 0 HA ALA A 105 -2.960 26.862 27.194 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.631 25.435 26.025 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.023 27.163 25.858 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.279 26.284 24.501 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.047 24.470 26.384 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.102 23.343 26.111 1.00 15.00 C ATOM 1064 C PRO A 106 -1.085 22.939 24.638 1.00 15.00 C ATOM 1065 O PRO A 106 -2.105 23.007 23.953 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.607 22.188 26.985 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.454 22.821 28.034 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.047 24.077 27.401 1.00 15.00 C ATOM 0 HA PRO A 106 -0.075 23.628 26.340 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.181 21.473 26.396 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.776 21.640 27.430 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.241 22.141 28.362 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.862 23.071 28.914 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.018 23.876 26.949 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.196 24.864 28.140 1.00 15.00 H new ATOM 1076 N GLY A 107 0.084 22.520 24.160 1.00 15.00 N ATOM 1077 CA GLY A 107 0.222 22.058 22.779 1.00 15.00 C ATOM 1078 C GLY A 107 0.910 23.078 21.867 1.00 15.00 C ATOM 1079 O GLY A 107 1.372 22.715 20.783 1.00 15.00 O ATOM 0 H GLY A 107 0.946 22.490 24.704 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.792 21.129 22.769 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.766 21.830 22.378 1.00 15.00 H new ATOM 1083 N GLN A 108 0.985 24.341 22.287 1.00 15.00 N ATOM 1084 CA GLN A 108 1.616 25.370 21.465 1.00 15.00 C ATOM 1085 C GLN A 108 3.119 25.420 21.715 1.00 15.00 C ATOM 1086 O GLN A 108 3.596 25.008 22.772 1.00 15.00 O ATOM 1087 CB GLN A 108 0.986 26.735 21.748 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.469 26.722 21.278 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.104 28.090 21.497 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.577 28.382 22.594 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.141 28.950 20.515 1.00 15.00 N ATOM 0 H GLN A 108 0.621 24.672 23.181 1.00 15.00 H new ATOM 0 HA GLN A 108 1.453 25.117 20.417 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.035 26.958 22.814 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.541 27.519 21.233 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.515 26.456 20.222 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -1.028 25.962 21.823 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.748 28.704 19.607 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.563 29.868 20.656 1.00 15.00 H new ATOM 1100 N GLN A 109 3.865 25.912 20.730 1.00 15.00 N ATOM 1101 CA GLN A 109 5.321 25.968 20.830 1.00 15.00 C ATOM 1102 C GLN A 109 5.808 27.409 20.952 1.00 15.00 C ATOM 1103 O GLN A 109 5.177 28.339 20.450 1.00 15.00 O ATOM 1104 CB GLN A 109 5.949 25.323 19.593 1.00 15.00 C ATOM 1105 CG GLN A 109 5.586 23.837 19.549 1.00 15.00 C ATOM 1106 CD GLN A 109 6.128 23.190 18.276 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.458 23.879 17.310 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.241 21.891 18.218 1.00 15.00 N ATOM 0 H GLN A 109 3.487 26.277 19.856 1.00 15.00 H new ATOM 0 HA GLN A 109 5.621 25.424 21.725 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.594 25.821 18.691 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.032 25.443 19.618 1.00 15.00 H new ATOM 0 HG2 GLN A 109 5.995 23.331 20.423 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.503 23.720 19.590 1.00 15.00 H new ATOM 0 HE21 GLN A 109 5.968 21.319 19.017 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.602 21.448 17.373 1.00 15.00 H new ATOM 1117 N ILE A 110 6.914 27.581 21.669 1.00 15.00 N ATOM 1118 CA ILE A 110 7.559 28.882 21.803 1.00 15.00 C ATOM 1119 C ILE A 110 9.028 28.767 21.401 1.00 15.00 C ATOM 1120 O ILE A 110 9.704 27.810 21.777 1.00 15.00 O ATOM 1121 CB ILE A 110 7.439 29.372 23.252 1.00 15.00 C ATOM 1122 CG1 ILE A 110 5.958 29.481 23.625 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.105 30.744 23.407 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.816 29.747 25.126 1.00 15.00 C ATOM 0 H ILE A 110 7.386 26.828 22.170 1.00 15.00 H new ATOM 0 HA ILE A 110 7.069 29.602 21.148 1.00 15.00 H new ATOM 0 HB ILE A 110 7.938 28.661 23.911 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.490 30.286 23.058 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.439 28.560 23.359 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.012 31.079 24.440 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.160 30.668 23.144 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.617 31.462 22.748 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.760 29.823 25.384 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.268 28.927 25.685 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.320 30.680 25.379 1.00 15.00 H new ATOM 1136 N ILE A 111 9.522 29.744 20.645 1.00 15.00 N ATOM 1137 CA ILE A 111 10.923 29.741 20.225 1.00 15.00 C ATOM 1138 C ILE A 111 11.704 30.799 21.001 1.00 15.00 C ATOM 1139 O ILE A 111 11.269 31.945 21.119 1.00 15.00 O ATOM 1140 CB ILE A 111 11.036 30.013 18.720 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.196 28.993 17.944 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.499 29.885 18.284 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.176 29.365 16.459 1.00 15.00 C ATOM 0 H ILE A 111 8.980 30.542 20.312 1.00 15.00 H new ATOM 0 HA ILE A 111 11.343 28.757 20.435 1.00 15.00 H new ATOM 0 HB ILE A 111 10.674 31.020 18.513 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.610 27.993 18.073 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.180 28.970 18.337 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.578 30.078 17.214 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.106 30.608 18.829 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.856 28.877 18.498 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.578 28.638 15.910 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.742 30.357 16.338 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.194 29.365 16.070 1.00 15.00 H new ATOM 1155 N LEU A 112 12.854 30.399 21.535 1.00 15.00 N ATOM 1156 CA LEU A 112 13.718 31.313 22.275 1.00 15.00 C ATOM 1157 C LEU A 112 15.100 31.381 21.621 1.00 15.00 C ATOM 1158 O LEU A 112 15.919 30.486 21.849 1.00 15.00 O ATOM 1159 CB LEU A 112 13.869 30.815 23.714 1.00 15.00 C ATOM 1160 CG LEU A 112 12.516 30.885 24.423 1.00 15.00 C ATOM 1161 CD1 LEU A 112 12.531 29.963 25.643 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.253 32.323 24.875 1.00 15.00 C ATOM 0 H LEU A 112 13.210 29.445 21.469 1.00 15.00 H new ATOM 0 HA LEU A 112 13.270 32.306 22.268 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.241 29.790 23.718 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.602 31.422 24.245 1.00 15.00 H new ATOM 0 HG LEU A 112 11.730 30.568 23.738 1.00 15.00 H new ATOM 0 HD11 LEU A 112 11.567 30.013 26.149 1.00 15.00 H new ATOM 0 HD12 LEU A 112 12.720 28.939 25.323 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.317 30.280 26.329 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.289 32.375 25.381 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.040 32.639 25.560 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.243 32.981 24.006 1.00 15.00 H new ATOM 1174 N PRO A 113 15.370 32.356 20.776 1.00 15.00 N ATOM 1175 CA PRO A 113 16.727 32.499 20.166 1.00 15.00 C ATOM 1176 C PRO A 113 17.741 33.072 21.153 1.00 15.00 C ATOM 1177 O PRO A 113 17.691 34.254 21.494 1.00 15.00 O ATOM 1178 CB PRO A 113 16.512 33.453 18.990 1.00 15.00 C ATOM 1179 CG PRO A 113 15.327 34.274 19.366 1.00 15.00 C ATOM 1180 CD PRO A 113 14.453 33.396 20.262 1.00 15.00 C ATOM 0 HA PRO A 113 17.137 31.536 19.861 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.389 34.079 18.825 1.00 15.00 H new ATOM 0 HB3 PRO A 113 16.334 32.904 18.065 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.633 35.179 19.891 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.778 34.590 18.479 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.013 33.974 21.075 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.628 32.955 19.702 1.00 15.00 H new