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 180:sc= 0.272 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.4 (180deg=-0.748) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -78:sc= -0.584! USER MOD Single : A 77 SER OG : rot -64:sc= -0.939! 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= -0.144 X(o=-0.14,f=-0.22) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.4) 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 -70:sc= 1.28 USER MOD Single : A 91 ASN : amide:sc= -2.9! C(o=-2.9!,f=-7.1!) USER MOD Single : A 92 LYS NZ :NH3+ -141:sc= 0.174 (180deg=-0.24) USER MOD Single : A 93 HIS : no HE2:sc= -2.41 K(o=-2.4,f=-4.8!) USER MOD Single : A 95 TYR OH : rot 123:sc= 0.2 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 146:sc= -0.139 (180deg=-1.2) USER MOD Single : A 102 MET CE :methyl 140:sc= -0.14 (180deg=-1.03) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.16 K(o=0.16,f=-3.1!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.560 27.234 20.682 1.00 15.00 N ATOM 386 CA LEU A 63 16.069 26.232 21.624 1.00 15.00 C ATOM 387 C LEU A 63 14.544 26.181 21.595 1.00 15.00 C ATOM 388 O LEU A 63 13.884 27.218 21.637 1.00 15.00 O ATOM 389 CB LEU A 63 16.543 26.571 23.039 1.00 15.00 C ATOM 390 CG LEU A 63 16.157 25.440 23.994 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.025 24.213 23.713 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.377 25.898 25.438 1.00 15.00 C ATOM 0 HA LEU A 63 16.463 25.258 21.334 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.623 26.714 23.047 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.095 27.508 23.369 1.00 15.00 H new ATOM 0 HG LEU A 63 15.108 25.183 23.847 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.749 23.408 24.394 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.871 23.887 22.684 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.074 24.468 23.860 1.00 15.00 H new ATOM 0 HD21 LEU A 63 16.103 25.094 26.121 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.427 26.154 25.582 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.759 26.773 25.641 1.00 15.00 H new ATOM 404 N PHE A 64 13.994 24.976 21.496 1.00 15.00 N ATOM 405 CA PHE A 64 12.545 24.809 21.488 1.00 15.00 C ATOM 406 C PHE A 64 12.028 24.474 22.884 1.00 15.00 C ATOM 407 O PHE A 64 12.543 23.572 23.545 1.00 15.00 O ATOM 408 CB PHE A 64 12.149 23.688 20.527 1.00 15.00 C ATOM 409 CG PHE A 64 12.398 24.015 19.073 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.438 24.725 18.343 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.584 23.602 18.455 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.664 25.024 16.994 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.810 23.899 17.106 1.00 15.00 C ATOM 414 CZ PHE A 64 12.850 24.611 16.376 1.00 15.00 C ATOM 0 H PHE A 64 14.524 24.107 21.421 1.00 15.00 H new ATOM 0 HA PHE A 64 12.101 25.749 21.161 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.703 22.786 20.787 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.091 23.462 20.663 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.523 25.042 18.820 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.325 23.054 19.019 1.00 15.00 H new ATOM 0 HE1 PHE A 64 10.924 25.573 16.431 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.724 23.579 16.628 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.025 24.842 15.335 1.00 15.00 H new ATOM 424 N TYR A 65 11.007 25.203 23.328 1.00 15.00 N ATOM 425 CA TYR A 65 10.349 24.901 24.597 1.00 15.00 C ATOM 426 C TYR A 65 8.864 24.658 24.350 1.00 15.00 C ATOM 427 O TYR A 65 8.250 25.341 23.533 1.00 15.00 O ATOM 428 CB TYR A 65 10.527 26.066 25.573 1.00 15.00 C ATOM 429 CG TYR A 65 10.140 25.724 26.992 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.073 25.117 27.840 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.852 26.012 27.460 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.720 24.798 29.156 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.499 25.694 28.777 1.00 15.00 C ATOM 434 CZ TYR A 65 9.433 25.085 29.626 1.00 15.00 C ATOM 435 OH TYR A 65 9.090 24.770 30.925 1.00 15.00 O ATOM 0 H TYR A 65 10.618 26.004 22.830 1.00 15.00 H new ATOM 0 HA TYR A 65 10.799 24.008 25.031 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.568 26.389 25.556 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.926 26.910 25.234 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.066 24.895 27.479 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.131 26.479 26.805 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.441 24.330 29.810 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.506 25.918 29.139 1.00 15.00 H new ATOM 0 HH TYR A 65 8.162 25.036 31.092 1.00 15.00 H new ATOM 445 N THR A 66 8.288 23.683 25.049 1.00 15.00 N ATOM 446 CA THR A 66 6.890 23.317 24.825 1.00 15.00 C ATOM 447 C THR A 66 6.017 23.736 26.005 1.00 15.00 C ATOM 448 O THR A 66 6.430 23.649 27.162 1.00 15.00 O ATOM 449 CB THR A 66 6.778 21.804 24.622 1.00 15.00 C ATOM 450 OG1 THR A 66 7.672 21.399 23.597 1.00 15.00 O ATOM 451 CG2 THR A 66 5.345 21.443 24.223 1.00 15.00 C ATOM 0 H THR A 66 8.761 23.136 25.769 1.00 15.00 H new ATOM 0 HA THR A 66 6.541 23.838 23.933 1.00 15.00 H new ATOM 0 HB THR A 66 7.033 21.294 25.551 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.603 20.430 23.467 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.268 20.365 24.079 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.659 21.754 25.011 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.086 21.952 23.295 1.00 15.00 H new ATOM 459 N LEU A 67 4.807 24.190 25.696 1.00 15.00 N ATOM 460 CA LEU A 67 3.857 24.600 26.723 1.00 15.00 C ATOM 461 C LEU A 67 3.042 23.409 27.216 1.00 15.00 C ATOM 462 O LEU A 67 2.423 22.700 26.423 1.00 15.00 O ATOM 463 CB LEU A 67 2.909 25.656 26.149 1.00 15.00 C ATOM 464 CG LEU A 67 3.684 26.940 25.840 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.781 27.906 25.070 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.125 27.597 27.151 1.00 15.00 C ATOM 0 H LEU A 67 4.461 24.283 24.741 1.00 15.00 H new ATOM 0 HA LEU A 67 4.415 25.014 27.563 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.437 25.279 25.242 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.110 25.865 26.861 1.00 15.00 H new ATOM 0 HG LEU A 67 4.561 26.699 25.238 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.331 28.821 24.849 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.462 27.441 24.138 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.906 28.146 25.674 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.677 28.511 26.932 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.247 27.838 27.751 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.765 26.910 27.705 1.00 15.00 H new ATOM 478 N LYS A 68 3.021 23.219 28.533 1.00 15.00 N ATOM 479 CA LYS A 68 2.268 22.125 29.140 1.00 15.00 C ATOM 480 C LYS A 68 1.265 22.667 30.154 1.00 15.00 C ATOM 481 O LYS A 68 1.501 23.693 30.792 1.00 15.00 O ATOM 482 CB LYS A 68 3.226 21.157 29.838 1.00 15.00 C ATOM 483 CG LYS A 68 4.152 20.516 28.802 1.00 15.00 C ATOM 484 CD LYS A 68 5.036 19.471 29.483 1.00 15.00 C ATOM 485 CE LYS A 68 6.044 18.918 28.474 1.00 15.00 C ATOM 486 NZ LYS A 68 6.931 20.018 28.004 1.00 15.00 N ATOM 0 H LYS A 68 3.517 23.809 29.201 1.00 15.00 H new ATOM 0 HA LYS A 68 1.728 21.598 28.353 1.00 15.00 H new ATOM 0 HB2 LYS A 68 3.814 21.688 30.587 1.00 15.00 H new ATOM 0 HB3 LYS A 68 2.662 20.386 30.363 1.00 15.00 H new ATOM 0 HG2 LYS A 68 3.563 20.050 28.012 1.00 15.00 H new ATOM 0 HG3 LYS A 68 4.771 21.279 28.331 1.00 15.00 H new ATOM 0 HD2 LYS A 68 5.560 19.918 30.328 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.422 18.663 29.880 1.00 15.00 H new ATOM 0 HE2 LYS A 68 6.638 18.128 28.933 1.00 15.00 H new ATOM 0 HE3 LYS A 68 5.521 18.472 27.628 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 7.753 19.614 27.512 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 6.405 20.634 27.352 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 7.255 20.575 28.820 1.00 15.00 H new ATOM 500 N THR A 69 0.153 21.960 30.324 1.00 15.00 N ATOM 501 CA THR A 69 -0.893 22.401 31.243 1.00 15.00 C ATOM 502 C THR A 69 -0.330 22.658 32.639 1.00 15.00 C ATOM 503 O THR A 69 0.452 21.863 33.161 1.00 15.00 O ATOM 504 CB THR A 69 -1.998 21.346 31.323 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.990 21.771 32.247 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.405 20.012 31.786 1.00 15.00 C ATOM 0 H THR A 69 -0.048 21.084 29.841 1.00 15.00 H new ATOM 0 HA THR A 69 -1.304 23.335 30.860 1.00 15.00 H new ATOM 0 HB THR A 69 -2.448 21.217 30.338 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.700 21.097 32.298 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.195 19.263 31.842 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.645 19.686 31.076 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.953 20.137 32.770 1.00 15.00 H new ATOM 514 N GLY A 70 -0.735 23.776 33.235 1.00 15.00 N ATOM 515 CA GLY A 70 -0.263 24.144 34.569 1.00 15.00 C ATOM 516 C GLY A 70 0.735 25.303 34.535 1.00 15.00 C ATOM 517 O GLY A 70 0.864 26.037 35.515 1.00 15.00 O ATOM 0 H GLY A 70 -1.386 24.441 32.818 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.115 24.420 35.190 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.205 23.278 35.037 1.00 15.00 H new ATOM 521 N GLU A 71 1.440 25.475 33.416 1.00 15.00 N ATOM 522 CA GLU A 71 2.416 26.553 33.294 1.00 15.00 C ATOM 523 C GLU A 71 1.883 27.660 32.390 1.00 15.00 C ATOM 524 O GLU A 71 1.193 27.393 31.406 1.00 15.00 O ATOM 525 CB GLU A 71 3.722 26.011 32.710 1.00 15.00 C ATOM 526 CG GLU A 71 4.798 27.102 32.763 1.00 15.00 C ATOM 527 CD GLU A 71 6.105 26.651 32.102 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.165 25.545 31.582 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.043 27.431 32.127 1.00 15.00 O ATOM 0 H GLU A 71 1.353 24.885 32.588 1.00 15.00 H new ATOM 0 HA GLU A 71 2.600 26.963 34.287 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.048 25.136 33.272 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.566 25.689 31.680 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.430 27.999 32.264 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.991 27.371 33.802 1.00 15.00 H new ATOM 536 N THR A 72 2.206 28.905 32.734 1.00 15.00 N ATOM 537 CA THR A 72 1.776 30.053 31.938 1.00 15.00 C ATOM 538 C THR A 72 2.982 30.743 31.310 1.00 15.00 C ATOM 539 O THR A 72 4.116 30.566 31.757 1.00 15.00 O ATOM 540 CB THR A 72 1.019 31.052 32.818 1.00 15.00 C ATOM 541 OG1 THR A 72 1.897 31.566 33.810 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.169 30.360 33.491 1.00 15.00 C ATOM 0 H THR A 72 2.762 29.144 33.555 1.00 15.00 H new ATOM 0 HA THR A 72 1.116 29.696 31.148 1.00 15.00 H new ATOM 0 HB THR A 72 0.649 31.869 32.198 1.00 15.00 H new ATOM 0 HG1 THR A 72 2.009 30.903 34.523 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.702 31.077 34.115 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.843 29.971 32.728 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.191 29.538 34.110 1.00 15.00 H new ATOM 550 N VAL A 73 2.733 31.548 30.283 1.00 15.00 N ATOM 551 CA VAL A 73 3.816 32.237 29.585 1.00 15.00 C ATOM 552 C VAL A 73 4.607 33.101 30.567 1.00 15.00 C ATOM 553 O VAL A 73 5.837 33.102 30.558 1.00 15.00 O ATOM 554 CB VAL A 73 3.243 33.105 28.458 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.376 33.789 27.687 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.442 32.228 27.492 1.00 15.00 C ATOM 0 H VAL A 73 1.800 31.739 29.917 1.00 15.00 H new ATOM 0 HA VAL A 73 4.487 31.496 29.152 1.00 15.00 H new ATOM 0 HB VAL A 73 2.596 33.864 28.896 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.955 34.402 26.890 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.949 34.420 28.366 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.031 33.032 27.255 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.035 32.846 26.692 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.095 31.466 27.066 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.625 31.747 28.030 1.00 15.00 H new ATOM 566 N ALA A 74 3.893 33.812 31.435 1.00 15.00 N ATOM 567 CA ALA A 74 4.546 34.687 32.401 1.00 15.00 C ATOM 568 C ALA A 74 5.462 33.886 33.322 1.00 15.00 C ATOM 569 O ALA A 74 6.573 34.319 33.631 1.00 15.00 O ATOM 570 CB ALA A 74 3.495 35.428 33.231 1.00 15.00 C ATOM 0 H ALA A 74 2.875 33.800 31.489 1.00 15.00 H new ATOM 0 HA ALA A 74 5.150 35.412 31.855 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.992 36.079 33.950 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.867 36.028 32.572 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.876 34.706 33.763 1.00 15.00 H new ATOM 576 N ASP A 75 5.012 32.705 33.735 1.00 15.00 N ATOM 577 CA ASP A 75 5.797 31.885 34.653 1.00 15.00 C ATOM 578 C ASP A 75 7.137 31.511 34.026 1.00 15.00 C ATOM 579 O ASP A 75 8.186 31.632 34.659 1.00 15.00 O ATOM 580 CB ASP A 75 5.024 30.611 35.008 1.00 15.00 C ATOM 581 CG ASP A 75 3.752 30.948 35.785 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.736 31.960 36.467 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.807 30.183 35.686 1.00 15.00 O ATOM 0 H ASP A 75 4.120 32.298 33.454 1.00 15.00 H new ATOM 0 HA ASP A 75 5.981 32.463 35.559 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.767 30.070 34.097 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.655 29.951 35.603 1.00 15.00 H new ATOM 588 N LEU A 76 7.099 31.087 32.768 1.00 15.00 N ATOM 589 CA LEU A 76 8.320 30.696 32.072 1.00 15.00 C ATOM 590 C LEU A 76 9.293 31.868 32.005 1.00 15.00 C ATOM 591 O LEU A 76 10.488 31.712 32.252 1.00 15.00 O ATOM 592 CB LEU A 76 7.982 30.222 30.655 1.00 15.00 C ATOM 593 CG LEU A 76 9.244 29.693 29.968 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.648 28.358 30.596 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.960 29.485 28.478 1.00 15.00 C ATOM 0 H LEU A 76 6.247 31.005 32.214 1.00 15.00 H new ATOM 0 HA LEU A 76 8.790 29.881 32.623 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.224 29.440 30.695 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.561 31.045 30.078 1.00 15.00 H new ATOM 0 HG LEU A 76 10.053 30.413 30.092 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.546 27.983 30.106 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.847 28.501 31.658 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.839 27.638 30.472 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.857 29.108 27.986 1.00 15.00 H new ATOM 0 HD22 LEU A 76 8.151 28.764 28.359 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.670 30.434 28.027 1.00 15.00 H new ATOM 607 N SER A 77 8.770 33.048 31.695 1.00 15.00 N ATOM 608 CA SER A 77 9.606 34.236 31.570 1.00 15.00 C ATOM 609 C SER A 77 10.324 34.541 32.881 1.00 15.00 C ATOM 610 O SER A 77 11.496 34.913 32.877 1.00 15.00 O ATOM 611 CB SER A 77 8.740 35.432 31.172 1.00 15.00 C ATOM 612 OG SER A 77 9.579 36.499 30.757 1.00 15.00 O ATOM 0 H SER A 77 7.777 33.208 31.526 1.00 15.00 H new ATOM 0 HA SER A 77 10.356 34.048 30.802 1.00 15.00 H new ATOM 0 HB2 SER A 77 8.062 35.153 30.366 1.00 15.00 H new ATOM 0 HB3 SER A 77 8.123 35.745 32.014 1.00 15.00 H new ATOM 0 HG SER A 77 10.127 36.797 31.513 1.00 15.00 H new ATOM 618 N LYS A 78 9.615 34.396 33.993 1.00 15.00 N ATOM 619 CA LYS A 78 10.192 34.690 35.300 1.00 15.00 C ATOM 620 C LYS A 78 11.373 33.770 35.594 1.00 15.00 C ATOM 621 O LYS A 78 12.427 34.220 36.042 1.00 15.00 O ATOM 622 CB LYS A 78 9.127 34.524 36.386 1.00 15.00 C ATOM 623 CG LYS A 78 9.689 34.982 37.734 1.00 15.00 C ATOM 624 CD LYS A 78 8.651 34.736 38.830 1.00 15.00 C ATOM 625 CE LYS A 78 9.145 35.338 40.147 1.00 15.00 C ATOM 626 NZ LYS A 78 7.983 35.575 41.050 1.00 15.00 N ATOM 0 H LYS A 78 8.646 34.079 34.018 1.00 15.00 H new ATOM 0 HA LYS A 78 10.550 35.720 35.293 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.242 35.108 36.133 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.815 33.481 36.447 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.607 34.440 37.960 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.945 36.041 37.692 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.697 35.183 38.549 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.479 33.666 38.949 1.00 15.00 H new ATOM 0 HE2 LYS A 78 9.858 34.664 40.623 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.669 36.275 39.957 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 8.317 35.984 41.946 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 7.319 36.233 40.595 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.501 34.673 41.240 1.00 15.00 H new ATOM 640 N SER A 79 11.187 32.479 35.340 1.00 15.00 N ATOM 641 CA SER A 79 12.235 31.499 35.610 1.00 15.00 C ATOM 642 C SER A 79 13.483 31.795 34.784 1.00 15.00 C ATOM 643 O SER A 79 14.605 31.730 35.287 1.00 15.00 O ATOM 644 CB SER A 79 11.730 30.093 35.285 1.00 15.00 C ATOM 645 OG SER A 79 12.687 29.140 35.723 1.00 15.00 O ATOM 0 H SER A 79 10.329 32.088 34.951 1.00 15.00 H new ATOM 0 HA SER A 79 12.494 31.560 36.667 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.772 29.916 35.774 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.564 29.992 34.213 1.00 15.00 H new ATOM 0 HG SER A 79 12.367 28.237 35.518 1.00 15.00 H new ATOM 651 N GLN A 80 13.278 32.124 33.513 1.00 15.00 N ATOM 652 CA GLN A 80 14.391 32.436 32.615 1.00 15.00 C ATOM 653 C GLN A 80 14.990 33.829 32.858 1.00 15.00 C ATOM 654 O GLN A 80 16.020 34.162 32.270 1.00 15.00 O ATOM 655 CB GLN A 80 13.918 32.341 31.162 1.00 15.00 C ATOM 656 CG GLN A 80 13.347 30.947 30.873 1.00 15.00 C ATOM 657 CD GLN A 80 14.395 29.866 31.129 1.00 15.00 C ATOM 658 OE1 GLN A 80 15.523 29.968 30.646 1.00 15.00 O ATOM 659 NE2 GLN A 80 14.087 28.832 31.862 1.00 15.00 N ATOM 0 H GLN A 80 12.356 32.182 33.080 1.00 15.00 H new ATOM 0 HA GLN A 80 15.175 31.707 32.820 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.158 33.099 30.970 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.750 32.547 30.488 1.00 15.00 H new ATOM 0 HG2 GLN A 80 12.474 30.769 31.501 1.00 15.00 H new ATOM 0 HG3 GLN A 80 13.010 30.895 29.838 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.152 28.750 32.261 1.00 15.00 H new ATOM 0 HE22 GLN A 80 14.781 28.105 32.036 1.00 15.00 H new ATOM 668 N ASP A 81 14.362 34.644 33.707 1.00 15.00 N ATOM 669 CA ASP A 81 14.851 35.994 33.964 1.00 15.00 C ATOM 670 C ASP A 81 14.865 36.813 32.672 1.00 15.00 C ATOM 671 O ASP A 81 15.802 37.567 32.404 1.00 15.00 O ATOM 672 CB ASP A 81 16.257 35.934 34.568 1.00 15.00 C ATOM 673 CG ASP A 81 16.679 37.318 35.050 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.294 37.684 36.148 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.381 37.990 34.313 1.00 15.00 O ATOM 0 H ASP A 81 13.519 34.393 34.224 1.00 15.00 H new ATOM 0 HA ASP A 81 14.181 36.480 34.673 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.274 35.230 35.400 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.965 35.567 33.825 1.00 15.00 H new ATOM 680 N ILE A 82 13.809 36.663 31.878 1.00 15.00 N ATOM 681 CA ILE A 82 13.676 37.405 30.627 1.00 15.00 C ATOM 682 C ILE A 82 12.470 38.338 30.712 1.00 15.00 C ATOM 683 O ILE A 82 11.473 38.017 31.357 1.00 15.00 O ATOM 684 CB ILE A 82 13.504 36.436 29.451 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.689 35.467 29.404 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.449 37.219 28.136 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.436 34.396 28.342 1.00 15.00 C ATOM 0 H ILE A 82 13.032 36.034 32.078 1.00 15.00 H new ATOM 0 HA ILE A 82 14.579 37.994 30.465 1.00 15.00 H new ATOM 0 HB ILE A 82 12.577 35.879 29.585 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.606 36.010 29.176 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.829 35.000 30.379 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.327 36.525 27.304 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.606 37.910 28.159 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.375 37.780 28.008 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.281 33.708 28.311 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.528 33.845 28.590 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.318 34.870 27.368 1.00 15.00 H new ATOM 699 N ASN A 83 12.571 39.497 30.070 1.00 15.00 N ATOM 700 CA ASN A 83 11.479 40.464 30.089 1.00 15.00 C ATOM 701 C ASN A 83 10.378 40.047 29.120 1.00 15.00 C ATOM 702 O ASN A 83 10.651 39.610 28.001 1.00 15.00 O ATOM 703 CB ASN A 83 12.001 41.851 29.707 1.00 15.00 C ATOM 704 CG ASN A 83 13.005 42.343 30.745 1.00 15.00 C ATOM 705 OD1 ASN A 83 12.995 41.891 31.891 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.880 43.253 30.410 1.00 15.00 N ATOM 0 H ASN A 83 13.389 39.788 29.535 1.00 15.00 H new ATOM 0 HA ASN A 83 11.066 40.498 31.097 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.472 41.812 28.725 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.170 42.552 29.634 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.555 43.589 31.097 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.889 43.627 29.461 1.00 15.00 H new ATOM 713 N LEU A 84 9.128 40.195 29.548 1.00 15.00 N ATOM 714 CA LEU A 84 7.996 39.815 28.708 1.00 15.00 C ATOM 715 C LEU A 84 8.043 40.550 27.370 1.00 15.00 C ATOM 716 O LEU A 84 7.741 39.969 26.327 1.00 15.00 O ATOM 717 CB LEU A 84 6.678 40.129 29.421 1.00 15.00 C ATOM 718 CG LEU A 84 6.609 39.379 30.756 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.332 39.779 31.498 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.588 37.869 30.501 1.00 15.00 C ATOM 0 H LEU A 84 8.874 40.571 30.461 1.00 15.00 H new ATOM 0 HA LEU A 84 8.058 38.743 28.521 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.596 41.202 29.593 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.837 39.842 28.790 1.00 15.00 H new ATOM 0 HG LEU A 84 7.482 39.635 31.356 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.281 39.247 32.448 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.341 40.853 31.684 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.463 39.523 30.891 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.539 37.340 31.453 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.716 37.614 29.899 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.494 37.577 29.970 1.00 15.00 H new ATOM 732 N SER A 85 8.449 41.817 27.396 1.00 15.00 N ATOM 733 CA SER A 85 8.519 42.606 26.173 1.00 15.00 C ATOM 734 C SER A 85 9.469 41.955 25.174 1.00 15.00 C ATOM 735 O SER A 85 9.158 41.842 23.988 1.00 15.00 O ATOM 736 CB SER A 85 9.002 44.022 26.491 1.00 15.00 C ATOM 737 OG SER A 85 8.878 44.830 25.328 1.00 15.00 O ATOM 0 H SER A 85 8.731 42.313 28.241 1.00 15.00 H new ATOM 0 HA SER A 85 7.522 42.654 25.734 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.415 44.445 27.306 1.00 15.00 H new ATOM 0 HB3 SER A 85 10.040 43.999 26.824 1.00 15.00 H new ATOM 0 HG SER A 85 9.185 45.739 25.527 1.00 15.00 H new ATOM 743 N THR A 86 10.618 41.500 25.662 1.00 15.00 N ATOM 744 CA THR A 86 11.613 40.883 24.791 1.00 15.00 C ATOM 745 C THR A 86 11.054 39.623 24.135 1.00 15.00 C ATOM 746 O THR A 86 11.193 39.420 22.928 1.00 15.00 O ATOM 747 CB THR A 86 12.863 40.528 25.600 1.00 15.00 C ATOM 748 OG1 THR A 86 13.321 41.682 26.291 1.00 15.00 O ATOM 749 CG2 THR A 86 13.960 40.028 24.657 1.00 15.00 C ATOM 0 H THR A 86 10.882 41.546 26.646 1.00 15.00 H new ATOM 0 HA THR A 86 11.873 41.596 24.009 1.00 15.00 H new ATOM 0 HB THR A 86 12.620 39.745 26.318 1.00 15.00 H new ATOM 0 HG1 THR A 86 14.120 41.456 26.811 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.849 39.776 25.235 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.608 39.143 24.127 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.205 40.809 23.937 1.00 15.00 H new ATOM 757 N ILE A 87 10.385 38.793 24.929 1.00 15.00 N ATOM 758 CA ILE A 87 9.846 37.536 24.421 1.00 15.00 C ATOM 759 C ILE A 87 8.889 37.808 23.265 1.00 15.00 C ATOM 760 O ILE A 87 8.949 37.149 22.228 1.00 15.00 O ATOM 761 CB ILE A 87 9.122 36.776 25.542 1.00 15.00 C ATOM 762 CG1 ILE A 87 10.089 36.531 26.705 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.626 35.424 25.014 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.322 36.036 27.935 1.00 15.00 C ATOM 0 H ILE A 87 10.204 38.965 25.918 1.00 15.00 H new ATOM 0 HA ILE A 87 10.670 36.921 24.059 1.00 15.00 H new ATOM 0 HB ILE A 87 8.275 37.370 25.885 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.839 35.795 26.415 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.621 37.451 26.945 1.00 15.00 H new ATOM 0 HG21 ILE A 87 8.113 34.888 25.812 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.937 35.588 24.185 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.475 34.835 24.669 1.00 15.00 H new ATOM 0 HD11 ILE A 87 10.020 35.865 28.755 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.589 36.786 28.233 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.811 35.104 27.694 1.00 15.00 H new ATOM 776 N TRP A 88 8.020 38.795 23.444 1.00 15.00 N ATOM 777 CA TRP A 88 7.060 39.147 22.404 1.00 15.00 C ATOM 778 C TRP A 88 7.764 39.579 21.121 1.00 15.00 C ATOM 779 O TRP A 88 7.430 39.107 20.036 1.00 15.00 O ATOM 780 CB TRP A 88 6.149 40.276 22.887 1.00 15.00 C ATOM 781 CG TRP A 88 5.088 40.640 21.898 1.00 15.00 C ATOM 782 CD1 TRP A 88 4.109 39.811 21.468 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.883 41.908 21.207 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.316 40.488 20.559 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.751 41.783 20.364 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.560 43.139 21.231 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.309 42.845 19.572 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.119 44.208 20.436 1.00 15.00 C ATOM 789 CH2 TRP A 88 3.997 44.063 19.609 1.00 15.00 C ATOM 0 H TRP A 88 7.959 39.361 24.290 1.00 15.00 H new ATOM 0 HA TRP A 88 6.464 38.260 22.190 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.677 39.978 23.823 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.755 41.157 23.101 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.969 38.787 21.783 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.508 40.080 20.090 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.425 43.263 21.865 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.444 42.727 18.937 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 5.648 45.149 20.462 1.00 15.00 H new ATOM 0 HH2 TRP A 88 3.664 44.891 19.001 1.00 15.00 H new ATOM 800 N SER A 89 8.764 40.445 21.246 1.00 15.00 N ATOM 801 CA SER A 89 9.445 40.981 20.069 1.00 15.00 C ATOM 802 C SER A 89 9.974 39.862 19.175 1.00 15.00 C ATOM 803 O SER A 89 9.915 39.962 17.949 1.00 15.00 O ATOM 804 CB SER A 89 10.606 41.876 20.504 1.00 15.00 C ATOM 805 OG SER A 89 11.617 41.075 21.099 1.00 15.00 O ATOM 0 H SER A 89 9.119 40.789 22.138 1.00 15.00 H new ATOM 0 HA SER A 89 8.721 41.563 19.499 1.00 15.00 H new ATOM 0 HB2 SER A 89 11.009 42.412 19.645 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.256 42.627 21.213 1.00 15.00 H new ATOM 0 HG SER A 89 11.302 40.741 21.965 1.00 15.00 H new ATOM 811 N LEU A 90 10.490 38.800 19.788 1.00 15.00 N ATOM 812 CA LEU A 90 11.000 37.667 19.020 1.00 15.00 C ATOM 813 C LEU A 90 9.863 36.846 18.408 1.00 15.00 C ATOM 814 O LEU A 90 9.828 36.622 17.198 1.00 15.00 O ATOM 815 CB LEU A 90 11.843 36.766 19.927 1.00 15.00 C ATOM 816 CG LEU A 90 13.000 37.569 20.526 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.759 36.698 21.530 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.956 38.002 19.411 1.00 15.00 C ATOM 0 H LEU A 90 10.566 38.700 20.800 1.00 15.00 H new ATOM 0 HA LEU A 90 11.612 38.062 18.209 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.223 36.355 20.724 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.231 35.922 19.357 1.00 15.00 H new ATOM 0 HG LEU A 90 12.604 38.451 21.030 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.583 37.269 21.957 1.00 15.00 H new ATOM 0 HD12 LEU A 90 13.083 36.387 22.326 1.00 15.00 H new ATOM 0 HD13 LEU A 90 14.152 35.817 21.023 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.779 38.574 19.839 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.350 37.120 18.907 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.420 38.621 18.692 1.00 15.00 H new ATOM 830 N ASN A 91 8.916 36.428 19.241 1.00 15.00 N ATOM 831 CA ASN A 91 7.836 35.549 18.784 1.00 15.00 C ATOM 832 C ASN A 91 6.635 36.306 18.202 1.00 15.00 C ATOM 833 O ASN A 91 5.594 35.701 17.944 1.00 15.00 O ATOM 834 CB ASN A 91 7.365 34.673 19.946 1.00 15.00 C ATOM 835 CG ASN A 91 8.491 33.741 20.383 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.388 32.523 20.236 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.574 34.242 20.913 1.00 15.00 N ATOM 0 H ASN A 91 8.870 36.679 20.229 1.00 15.00 H new ATOM 0 HA ASN A 91 8.248 34.943 17.977 1.00 15.00 H new ATOM 0 HB2 ASN A 91 7.054 35.299 20.782 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.495 34.090 19.644 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.332 33.625 21.204 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.662 35.251 21.036 1.00 15.00 H new ATOM 844 N LYS A 92 6.762 37.615 17.994 1.00 15.00 N ATOM 845 CA LYS A 92 5.687 38.397 17.389 1.00 15.00 C ATOM 846 C LYS A 92 5.189 37.775 16.080 1.00 15.00 C ATOM 847 O LYS A 92 4.024 37.943 15.719 1.00 15.00 O ATOM 848 CB LYS A 92 6.161 39.840 17.166 1.00 15.00 C ATOM 849 CG LYS A 92 7.252 39.900 16.089 1.00 15.00 C ATOM 850 CD LYS A 92 7.789 41.328 15.983 1.00 15.00 C ATOM 851 CE LYS A 92 8.641 41.462 14.720 1.00 15.00 C ATOM 852 NZ LYS A 92 9.800 40.529 14.802 1.00 15.00 N ATOM 0 H LYS A 92 7.594 38.154 18.234 1.00 15.00 H new ATOM 0 HA LYS A 92 4.841 38.399 18.077 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.317 40.462 16.869 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.545 40.249 18.101 1.00 15.00 H new ATOM 0 HG2 LYS A 92 8.061 39.214 16.338 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.847 39.580 15.129 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.962 42.037 15.953 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.385 41.570 16.863 1.00 15.00 H new ATOM 0 HE2 LYS A 92 8.041 41.237 13.838 1.00 15.00 H new ATOM 0 HE3 LYS A 92 8.993 42.488 14.613 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 10.646 40.991 14.412 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 9.971 40.275 15.796 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.593 39.669 14.256 1.00 15.00 H new ATOM 866 N HIS A 93 6.070 37.078 15.366 1.00 15.00 N ATOM 867 CA HIS A 93 5.679 36.437 14.115 1.00 15.00 C ATOM 868 C HIS A 93 4.811 35.202 14.372 1.00 15.00 C ATOM 869 O HIS A 93 3.887 34.919 13.611 1.00 15.00 O ATOM 870 CB HIS A 93 6.923 36.066 13.298 1.00 15.00 C ATOM 871 CG HIS A 93 7.721 34.907 13.840 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.677 35.054 14.835 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.730 33.574 13.508 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.218 33.843 15.059 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.677 32.905 14.279 1.00 15.00 N ATOM 0 H HIS A 93 7.047 36.944 15.628 1.00 15.00 H new ATOM 0 HA HIS A 93 5.083 37.146 13.541 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.613 35.829 12.280 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.573 36.939 13.238 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.924 35.922 15.310 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.098 33.115 12.762 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.997 33.653 15.783 1.00 15.00 H new ATOM 883 N LEU A 94 5.109 34.471 15.446 1.00 15.00 N ATOM 884 CA LEU A 94 4.357 33.261 15.767 1.00 15.00 C ATOM 885 C LEU A 94 2.927 33.587 16.193 1.00 15.00 C ATOM 886 O LEU A 94 1.983 32.907 15.788 1.00 15.00 O ATOM 887 CB LEU A 94 5.051 32.496 16.897 1.00 15.00 C ATOM 888 CG LEU A 94 6.482 32.142 16.487 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.198 31.479 17.666 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.457 31.172 15.304 1.00 15.00 C ATOM 0 H LEU A 94 5.858 34.693 16.102 1.00 15.00 H new ATOM 0 HA LEU A 94 4.321 32.648 14.866 1.00 15.00 H new ATOM 0 HB2 LEU A 94 5.063 33.101 17.803 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.495 31.587 17.128 1.00 15.00 H new ATOM 0 HG LEU A 94 7.009 33.052 16.198 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.218 31.226 17.377 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.221 32.167 18.511 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.666 30.571 17.951 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.478 30.923 15.016 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.929 30.263 15.590 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.946 31.638 14.462 1.00 15.00 H new ATOM 902 N TYR A 95 2.769 34.627 17.009 1.00 15.00 N ATOM 903 CA TYR A 95 1.448 35.001 17.516 1.00 15.00 C ATOM 904 C TYR A 95 1.007 36.345 16.947 1.00 15.00 C ATOM 905 O TYR A 95 1.827 37.227 16.696 1.00 15.00 O ATOM 906 CB TYR A 95 1.483 35.078 19.042 1.00 15.00 C ATOM 907 CG TYR A 95 1.916 33.786 19.696 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.993 32.748 19.870 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.238 33.625 20.126 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.391 31.550 20.475 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.637 32.427 20.731 1.00 15.00 C ATOM 912 CZ TYR A 95 2.715 31.389 20.905 1.00 15.00 C ATOM 913 OH TYR A 95 3.104 30.208 21.505 1.00 15.00 O ATOM 0 H TYR A 95 3.532 35.222 17.332 1.00 15.00 H new ATOM 0 HA TYR A 95 0.733 34.241 17.203 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.163 35.875 19.343 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.493 35.348 19.408 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.027 32.872 19.537 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.951 34.425 19.991 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.678 30.750 20.610 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.657 32.304 21.064 1.00 15.00 H new ATOM 0 HH TYR A 95 3.847 29.815 21.002 1.00 15.00 H new ATOM 923 N SER A 96 -0.300 36.496 16.759 1.00 15.00 N ATOM 924 CA SER A 96 -0.844 37.701 16.143 1.00 15.00 C ATOM 925 C SER A 96 -0.868 38.878 17.115 1.00 15.00 C ATOM 926 O SER A 96 -0.579 40.010 16.728 1.00 15.00 O ATOM 927 CB SER A 96 -2.263 37.429 15.643 1.00 15.00 C ATOM 928 OG SER A 96 -2.243 36.308 14.768 1.00 15.00 O ATOM 0 H SER A 96 -1.000 35.802 17.023 1.00 15.00 H new ATOM 0 HA SER A 96 -0.194 37.966 15.309 1.00 15.00 H new ATOM 0 HB2 SER A 96 -2.928 37.236 16.485 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.652 38.304 15.123 1.00 15.00 H new ATOM 0 HG SER A 96 -3.151 36.128 14.446 1.00 15.00 H new ATOM 934 N SER A 97 -1.211 38.610 18.374 1.00 15.00 N ATOM 935 CA SER A 97 -1.383 39.688 19.344 1.00 15.00 C ATOM 936 C SER A 97 -1.127 39.210 20.769 1.00 15.00 C ATOM 937 O SER A 97 -0.995 38.013 21.024 1.00 15.00 O ATOM 938 CB SER A 97 -2.802 40.250 19.245 1.00 15.00 C ATOM 939 OG SER A 97 -3.722 39.288 19.745 1.00 15.00 O ATOM 0 H SER A 97 -1.373 37.672 18.741 1.00 15.00 H new ATOM 0 HA SER A 97 -0.654 40.464 19.111 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.880 41.176 19.815 1.00 15.00 H new ATOM 0 HB3 SER A 97 -3.038 40.493 18.209 1.00 15.00 H new ATOM 0 HG SER A 97 -4.633 39.645 19.685 1.00 15.00 H new ATOM 945 N GLU A 98 -1.059 40.165 21.693 1.00 15.00 N ATOM 946 CA GLU A 98 -0.822 39.855 23.100 1.00 15.00 C ATOM 947 C GLU A 98 -1.933 38.978 23.672 1.00 15.00 C ATOM 948 O GLU A 98 -1.677 38.107 24.504 1.00 15.00 O ATOM 949 CB GLU A 98 -0.752 41.152 23.910 1.00 15.00 C ATOM 950 CG GLU A 98 0.436 41.998 23.440 1.00 15.00 C ATOM 951 CD GLU A 98 1.767 41.279 23.675 1.00 15.00 C ATOM 952 OE1 GLU A 98 1.804 40.334 24.449 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.743 41.695 23.073 1.00 15.00 O ATOM 0 H GLU A 98 -1.165 41.160 21.493 1.00 15.00 H new ATOM 0 HA GLU A 98 0.121 39.313 23.167 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -1.679 41.714 23.793 1.00 15.00 H new ATOM 0 HB3 GLU A 98 -0.649 40.923 24.971 1.00 15.00 H new ATOM 0 HG2 GLU A 98 0.326 42.224 22.379 1.00 15.00 H new ATOM 0 HG3 GLU A 98 0.438 42.950 23.970 1.00 15.00 H new ATOM 960 N SER A 99 -3.166 39.202 23.227 1.00 15.00 N ATOM 961 CA SER A 99 -4.306 38.464 23.764 1.00 15.00 C ATOM 962 C SER A 99 -4.097 36.959 23.620 1.00 15.00 C ATOM 963 O SER A 99 -4.326 36.197 24.559 1.00 15.00 O ATOM 964 CB SER A 99 -5.584 38.875 23.032 1.00 15.00 C ATOM 965 OG SER A 99 -6.704 38.298 23.690 1.00 15.00 O ATOM 0 H SER A 99 -3.401 39.881 22.503 1.00 15.00 H new ATOM 0 HA SER A 99 -4.398 38.703 24.824 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.676 39.961 23.017 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.546 38.544 21.994 1.00 15.00 H new ATOM 0 HG SER A 99 -7.527 38.559 23.226 1.00 15.00 H new ATOM 971 N GLU A 100 -3.625 36.539 22.451 1.00 15.00 N ATOM 972 CA GLU A 100 -3.399 35.121 22.200 1.00 15.00 C ATOM 973 C GLU A 100 -2.356 34.544 23.157 1.00 15.00 C ATOM 974 O GLU A 100 -2.459 33.385 23.562 1.00 15.00 O ATOM 975 CB GLU A 100 -2.959 34.914 20.749 1.00 15.00 C ATOM 976 CG GLU A 100 -4.119 35.291 19.819 1.00 15.00 C ATOM 977 CD GLU A 100 -3.772 35.042 18.349 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.603 34.876 18.034 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.690 35.054 17.545 1.00 15.00 O ATOM 0 H GLU A 100 -3.394 37.153 21.670 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.336 34.592 22.372 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.085 35.527 20.529 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.669 33.876 20.588 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -5.003 34.712 20.087 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.371 36.342 19.960 1.00 15.00 H new ATOM 986 N MET A 101 -1.356 35.346 23.518 1.00 15.00 N ATOM 987 CA MET A 101 -0.328 34.889 24.447 1.00 15.00 C ATOM 988 C MET A 101 -0.926 34.620 25.826 1.00 15.00 C ATOM 989 O MET A 101 -0.728 33.551 26.402 1.00 15.00 O ATOM 990 CB MET A 101 0.773 35.945 24.569 1.00 15.00 C ATOM 991 CG MET A 101 1.478 36.112 23.220 1.00 15.00 C ATOM 992 SD MET A 101 2.912 37.199 23.420 1.00 15.00 S ATOM 993 CE MET A 101 3.968 36.032 24.315 1.00 15.00 C ATOM 0 H MET A 101 -1.237 36.303 23.186 1.00 15.00 H new ATOM 0 HA MET A 101 0.094 33.962 24.059 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.345 36.896 24.887 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.492 35.648 25.332 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.795 35.141 22.840 1.00 15.00 H new ATOM 0 HG3 MET A 101 0.789 36.532 22.487 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.009 36.195 24.036 1.00 15.00 H new ATOM 0 HE2 MET A 101 3.852 36.185 25.388 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.680 35.012 24.061 1.00 15.00 H new ATOM 1003 N MET A 102 -1.710 35.568 26.325 1.00 15.00 N ATOM 1004 CA MET A 102 -2.304 35.437 27.653 1.00 15.00 C ATOM 1005 C MET A 102 -3.198 34.202 27.743 1.00 15.00 C ATOM 1006 O MET A 102 -3.236 33.526 28.772 1.00 15.00 O ATOM 1007 CB MET A 102 -3.126 36.685 27.980 1.00 15.00 C ATOM 1008 CG MET A 102 -2.205 37.903 28.042 1.00 15.00 C ATOM 1009 SD MET A 102 -3.134 39.333 28.648 1.00 15.00 S ATOM 1010 CE MET A 102 -3.268 38.802 30.373 1.00 15.00 C ATOM 0 H MET A 102 -1.949 36.430 25.836 1.00 15.00 H new ATOM 0 HA MET A 102 -1.493 35.327 28.373 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.895 36.836 27.222 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.639 36.556 28.933 1.00 15.00 H new ATOM 0 HG2 MET A 102 -1.360 37.700 28.700 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.796 38.114 27.054 1.00 15.00 H new ATOM 0 HE1 MET A 102 -3.128 39.661 31.030 1.00 15.00 H new ATOM 0 HE2 MET A 102 -4.254 38.370 30.545 1.00 15.00 H new ATOM 0 HE3 MET A 102 -2.503 38.055 30.584 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.916 33.912 26.664 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.835 32.772 26.641 1.00 15.00 C ATOM 1022 C LYS A 103 -4.171 31.492 26.117 1.00 15.00 C ATOM 1023 O LYS A 103 -4.870 30.543 25.757 1.00 15.00 O ATOM 1024 CB LYS A 103 -6.046 33.097 25.758 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.731 34.380 26.240 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.292 34.177 27.650 1.00 15.00 C ATOM 1027 CE LYS A 103 -8.146 35.386 28.037 1.00 15.00 C ATOM 1028 NZ LYS A 103 -9.095 34.998 29.117 1.00 15.00 N ATOM 0 H LYS A 103 -3.882 34.446 25.795 1.00 15.00 H new ATOM 0 HA LYS A 103 -5.144 32.594 27.671 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.727 33.215 24.722 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.754 32.269 25.782 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.018 35.205 26.239 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -7.535 34.652 25.556 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.892 33.268 27.687 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -6.477 34.051 28.363 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -7.508 36.202 28.375 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -8.695 35.750 27.169 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -9.676 35.820 29.380 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.712 34.232 28.779 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -8.561 34.671 29.947 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.838 31.449 26.068 1.00 15.00 N ATOM 1043 CA ALA A 104 -2.132 30.275 25.566 1.00 15.00 C ATOM 1044 C ALA A 104 -2.574 29.010 26.296 1.00 15.00 C ATOM 1045 O ALA A 104 -2.884 29.040 27.488 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.624 30.463 25.739 1.00 15.00 C ATOM 0 H ALA A 104 -2.231 32.211 26.369 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.372 30.164 24.509 1.00 15.00 H new ATOM 0 HB1 ALA A 104 -0.102 29.583 25.362 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.301 31.343 25.182 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.393 30.597 26.796 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.595 27.899 25.565 1.00 15.00 N ATOM 1053 CA ALA A 105 -3.016 26.619 26.126 1.00 15.00 C ATOM 1054 C ALA A 105 -1.989 25.527 25.805 1.00 15.00 C ATOM 1055 O ALA A 105 -1.091 25.752 24.992 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.378 26.222 25.553 1.00 15.00 C ATOM 0 H ALA A 105 -2.325 27.859 24.582 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.092 26.725 27.208 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.686 25.266 25.976 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.115 26.985 25.805 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.305 26.132 24.469 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.092 24.361 26.410 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.112 23.259 26.156 1.00 15.00 C ATOM 1064 C PRO A 106 -1.040 22.873 24.679 1.00 15.00 C ATOM 1065 O PRO A 106 -2.039 22.924 23.964 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.618 22.083 26.998 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.517 22.683 28.025 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.113 23.935 27.390 1.00 15.00 C ATOM 0 HA PRO A 106 -0.100 23.565 26.423 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.154 21.361 26.381 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.790 21.550 27.465 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.300 21.982 28.314 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.963 22.932 28.930 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.066 23.722 26.906 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.300 24.709 28.134 1.00 15.00 H new ATOM 1076 N GLY A 107 0.153 22.487 24.234 1.00 15.00 N ATOM 1077 CA GLY A 107 0.342 22.032 22.856 1.00 15.00 C ATOM 1078 C GLY A 107 1.029 23.069 21.962 1.00 15.00 C ATOM 1079 O GLY A 107 1.486 22.725 20.871 1.00 15.00 O ATOM 0 H GLY A 107 1.000 22.479 24.802 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.935 21.118 22.861 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.628 21.780 22.428 1.00 15.00 H new ATOM 1083 N GLN A 108 1.108 24.325 22.405 1.00 15.00 N ATOM 1084 CA GLN A 108 1.742 25.366 21.600 1.00 15.00 C ATOM 1085 C GLN A 108 3.246 25.403 21.852 1.00 15.00 C ATOM 1086 O GLN A 108 3.717 24.991 22.910 1.00 15.00 O ATOM 1087 CB GLN A 108 1.118 26.728 21.903 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.332 26.732 21.415 1.00 15.00 C ATOM 1089 CD GLN A 108 -0.965 28.098 21.652 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.456 28.367 22.746 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -0.980 28.978 20.689 1.00 15.00 N ATOM 0 H GLN A 108 0.746 24.642 23.304 1.00 15.00 H new ATOM 0 HA GLN A 108 1.577 25.133 20.548 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.155 26.929 22.974 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.683 27.519 21.410 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.366 26.487 20.354 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.901 25.964 21.938 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.571 28.750 19.783 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.401 29.895 20.842 1.00 15.00 H new ATOM 1100 N GLN A 109 3.996 25.888 20.866 1.00 15.00 N ATOM 1101 CA GLN A 109 5.453 25.925 20.964 1.00 15.00 C ATOM 1102 C GLN A 109 5.962 27.359 21.063 1.00 15.00 C ATOM 1103 O GLN A 109 5.324 28.298 20.583 1.00 15.00 O ATOM 1104 CB GLN A 109 6.070 25.253 19.735 1.00 15.00 C ATOM 1105 CG GLN A 109 5.682 23.773 19.712 1.00 15.00 C ATOM 1106 CD GLN A 109 6.214 23.098 18.449 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.557 23.768 17.474 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.306 21.796 18.409 1.00 15.00 N ATOM 0 H GLN A 109 3.621 26.260 19.993 1.00 15.00 H new ATOM 0 HA GLN A 109 5.745 25.391 21.868 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.723 25.745 18.826 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.155 25.355 19.758 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.082 23.273 20.594 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.597 23.675 19.754 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.022 21.240 19.216 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.661 21.335 17.571 1.00 15.00 H new ATOM 1117 N ILE A 110 7.093 27.518 21.742 1.00 15.00 N ATOM 1118 CA ILE A 110 7.760 28.811 21.853 1.00 15.00 C ATOM 1119 C ILE A 110 9.212 28.678 21.396 1.00 15.00 C ATOM 1120 O ILE A 110 9.880 27.697 21.723 1.00 15.00 O ATOM 1121 CB ILE A 110 7.700 29.300 23.308 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.234 29.428 23.734 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.388 30.661 23.440 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.154 29.717 25.234 1.00 15.00 C ATOM 0 H ILE A 110 7.571 26.760 22.228 1.00 15.00 H new ATOM 0 HA ILE A 110 7.255 29.539 21.217 1.00 15.00 H new ATOM 0 HB ILE A 110 8.214 28.582 23.947 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.751 30.229 23.174 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.697 28.508 23.502 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.338 30.995 24.476 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.431 30.572 23.138 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.885 31.386 22.800 1.00 15.00 H new ATOM 0 HD11 ILE A 110 5.109 29.807 25.532 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.620 28.901 25.787 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.676 30.649 25.453 1.00 15.00 H new ATOM 1136 N ILE A 111 9.698 29.669 20.653 1.00 15.00 N ATOM 1137 CA ILE A 111 11.080 29.649 20.176 1.00 15.00 C ATOM 1138 C ILE A 111 11.918 30.661 20.951 1.00 15.00 C ATOM 1139 O ILE A 111 11.515 31.811 21.134 1.00 15.00 O ATOM 1140 CB ILE A 111 11.136 29.975 18.677 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.247 28.995 17.902 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.577 29.848 18.171 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.169 29.422 16.435 1.00 15.00 C ATOM 0 H ILE A 111 9.162 30.489 20.370 1.00 15.00 H new ATOM 0 HA ILE A 111 11.484 28.649 20.336 1.00 15.00 H new ATOM 0 HB ILE A 111 10.782 30.995 18.523 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.651 27.985 17.976 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.248 28.972 18.338 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.611 30.080 17.107 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.216 30.544 18.715 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.930 28.829 18.331 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.537 28.724 15.886 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.745 30.424 16.370 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.170 29.422 16.002 1.00 15.00 H new ATOM 1155 N LEU A 112 13.084 30.217 21.409 1.00 15.00 N ATOM 1156 CA LEU A 112 14.025 31.093 22.097 1.00 15.00 C ATOM 1157 C LEU A 112 15.293 31.254 21.255 1.00 15.00 C ATOM 1158 O LEU A 112 16.172 30.393 21.317 1.00 15.00 O ATOM 1159 CB LEU A 112 14.394 30.486 23.453 1.00 15.00 C ATOM 1160 CG LEU A 112 13.192 30.569 24.396 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.344 29.533 25.511 1.00 15.00 C ATOM 1162 CD2 LEU A 112 13.124 31.970 25.009 1.00 15.00 C ATOM 0 H LEU A 112 13.400 29.252 21.315 1.00 15.00 H new ATOM 0 HA LEU A 112 13.561 32.068 22.246 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.699 29.447 23.327 1.00 15.00 H new ATOM 0 HB3 LEU A 112 15.243 31.018 23.882 1.00 15.00 H new ATOM 0 HG LEU A 112 12.277 30.369 23.838 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.487 29.593 26.182 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.395 28.535 25.076 1.00 15.00 H new ATOM 0 HD13 LEU A 112 14.258 29.732 26.070 1.00 15.00 H new ATOM 0 HD21 LEU A 112 12.268 32.032 25.681 1.00 15.00 H new ATOM 0 HD22 LEU A 112 14.039 32.168 25.567 1.00 15.00 H new ATOM 0 HD23 LEU A 112 13.016 32.709 24.216 1.00 15.00 H new ATOM 1174 N PRO A 113 15.392 32.278 20.431 1.00 15.00 N ATOM 1175 CA PRO A 113 16.618 32.509 19.616 1.00 15.00 C ATOM 1176 C PRO A 113 17.661 33.336 20.360 1.00 15.00 C ATOM 1177 O PRO A 113 17.370 34.429 20.848 1.00 15.00 O ATOM 1178 CB PRO A 113 16.090 33.263 18.398 1.00 15.00 C ATOM 1179 CG PRO A 113 14.917 34.040 18.894 1.00 15.00 C ATOM 1180 CD PRO A 113 14.377 33.309 20.128 1.00 15.00 C ATOM 0 HA PRO A 113 17.129 31.579 19.366 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.852 33.923 17.983 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.799 32.574 17.605 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.210 35.059 19.148 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.150 34.112 18.123 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.245 33.993 20.967 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.404 32.860 19.927 1.00 15.00 H new