USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=17 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 Set 1.1: A 66 THR OG1 : rot -57:sc= 0.377 USER MOD Set 1.2: A 109 GLN : amide:sc= -2.76! K(o=-2.4!,f=-0.0025) USER MOD Single : A 65 TYR OH : rot 177:sc= 0.252 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -92:sc= -0.761! USER MOD Single : A 77 SER OG : rot -38:sc= 0.215 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= -3.16! C(o=-3.2!,f=-4.8!) 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 -71:sc= 1.21 USER MOD Single : A 91 ASN : amide:sc= -1.43 K(o=-1.4,f=-5.8!) USER MOD Single : A 92 LYS NZ :NH3+ 132:sc= -0.151 (180deg=-1.03) USER MOD Single : A 93 HIS : no HE2:sc= -2.56 K(o=-2.6,f=-5.3!) USER MOD Single : A 95 TYR OH : rot 120:sc= 0.175 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 148:sc= -0.122 (180deg=-0.942) USER MOD Single : A 102 MET CE :methyl 146:sc= -0.161 (180deg=-1.01) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.314 K(o=0.31,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.687 27.392 20.422 1.00 15.00 N ATOM 386 CA LEU A 63 16.154 26.349 21.296 1.00 15.00 C ATOM 387 C LEU A 63 14.629 26.373 21.307 1.00 15.00 C ATOM 388 O LEU A 63 14.017 27.435 21.419 1.00 15.00 O ATOM 389 CB LEU A 63 16.674 26.544 22.723 1.00 15.00 C ATOM 390 CG LEU A 63 18.195 26.365 22.751 1.00 15.00 C ATOM 391 CD1 LEU A 63 18.877 27.687 22.393 1.00 15.00 C ATOM 392 CD2 LEU A 63 18.636 25.933 24.153 1.00 15.00 C ATOM 0 HA LEU A 63 16.487 25.385 20.912 1.00 15.00 H new ATOM 0 HB2 LEU A 63 16.409 27.538 23.084 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.202 25.826 23.393 1.00 15.00 H new ATOM 0 HG LEU A 63 18.478 25.601 22.027 1.00 15.00 H new ATOM 0 HD11 LEU A 63 19.959 27.556 22.414 1.00 15.00 H new ATOM 0 HD12 LEU A 63 18.568 27.997 21.395 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.590 28.452 23.115 1.00 15.00 H new ATOM 0 HD21 LEU A 63 19.718 25.806 24.171 1.00 15.00 H new ATOM 0 HD22 LEU A 63 18.348 26.696 24.876 1.00 15.00 H new ATOM 0 HD23 LEU A 63 18.156 24.989 24.411 1.00 15.00 H new ATOM 404 N PHE A 64 14.022 25.198 21.169 1.00 15.00 N ATOM 405 CA PHE A 64 12.568 25.086 21.212 1.00 15.00 C ATOM 406 C PHE A 64 12.088 24.693 22.607 1.00 15.00 C ATOM 407 O PHE A 64 12.620 23.766 23.218 1.00 15.00 O ATOM 408 CB PHE A 64 12.096 24.044 20.197 1.00 15.00 C ATOM 409 CG PHE A 64 12.362 24.438 18.763 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.442 25.237 18.075 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.529 24.005 18.124 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.688 25.603 16.746 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.775 24.370 16.794 1.00 15.00 C ATOM 414 CZ PHE A 64 12.855 25.170 16.105 1.00 15.00 C ATOM 0 H PHE A 64 14.511 24.314 21.027 1.00 15.00 H new ATOM 0 HA PHE A 64 12.146 26.060 20.963 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.593 23.096 20.403 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.027 23.879 20.328 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.542 25.572 18.569 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.240 23.390 18.656 1.00 15.00 H new ATOM 0 HE1 PHE A 64 10.977 26.219 16.215 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.675 24.034 16.300 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.045 25.453 15.080 1.00 15.00 H new ATOM 424 N TYR A 65 11.078 25.402 23.107 1.00 15.00 N ATOM 425 CA TYR A 65 10.459 25.060 24.386 1.00 15.00 C ATOM 426 C TYR A 65 8.968 24.807 24.179 1.00 15.00 C ATOM 427 O TYR A 65 8.333 25.472 23.365 1.00 15.00 O ATOM 428 CB TYR A 65 10.655 26.200 25.386 1.00 15.00 C ATOM 429 CG TYR A 65 10.233 25.845 26.793 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.127 25.180 27.641 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.953 26.179 27.249 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.740 24.849 28.944 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.566 25.848 28.553 1.00 15.00 C ATOM 434 CZ TYR A 65 9.459 25.182 29.402 1.00 15.00 C ATOM 435 OH TYR A 65 9.083 24.853 30.689 1.00 15.00 O ATOM 0 H TYR A 65 10.671 26.216 22.647 1.00 15.00 H new ATOM 0 HA TYR A 65 10.929 24.159 24.781 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.705 26.491 25.392 1.00 15.00 H new ATOM 0 HB3 TYR A 65 10.086 27.068 25.052 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.115 24.923 27.289 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.264 26.692 26.595 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.430 24.336 29.598 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.578 26.106 28.905 1.00 15.00 H new ATOM 0 HH TYR A 65 8.183 25.197 30.865 1.00 15.00 H new ATOM 445 N THR A 66 8.409 23.847 24.912 1.00 15.00 N ATOM 446 CA THR A 66 7.008 23.471 24.729 1.00 15.00 C ATOM 447 C THR A 66 6.168 23.863 25.943 1.00 15.00 C ATOM 448 O THR A 66 6.619 23.767 27.084 1.00 15.00 O ATOM 449 CB THR A 66 6.906 21.960 24.506 1.00 15.00 C ATOM 450 OG1 THR A 66 7.759 21.584 23.435 1.00 15.00 O ATOM 451 CG2 THR A 66 5.463 21.581 24.165 1.00 15.00 C ATOM 0 H THR A 66 8.900 23.318 25.633 1.00 15.00 H new ATOM 0 HA THR A 66 6.624 24.003 23.859 1.00 15.00 H new ATOM 0 HB THR A 66 7.207 21.441 25.416 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.520 22.093 22.632 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.397 20.504 24.007 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.807 21.868 24.987 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.155 22.100 23.257 1.00 15.00 H new ATOM 459 N LEU A 67 4.942 24.307 25.680 1.00 15.00 N ATOM 460 CA LEU A 67 4.016 24.684 26.742 1.00 15.00 C ATOM 461 C LEU A 67 3.258 23.465 27.261 1.00 15.00 C ATOM 462 O LEU A 67 2.629 22.744 26.488 1.00 15.00 O ATOM 463 CB LEU A 67 3.014 25.709 26.202 1.00 15.00 C ATOM 464 CG LEU A 67 3.726 27.034 25.922 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.784 27.966 25.159 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.121 27.689 27.248 1.00 15.00 C ATOM 0 H LEU A 67 4.567 24.414 24.738 1.00 15.00 H new ATOM 0 HA LEU A 67 4.588 25.114 27.564 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.553 25.334 25.288 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.212 25.862 26.924 1.00 15.00 H new ATOM 0 HG LEU A 67 4.619 26.848 25.325 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.290 28.910 24.959 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.497 27.501 24.216 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.892 28.152 25.758 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.628 28.633 27.050 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.227 27.875 27.843 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.790 27.026 27.797 1.00 15.00 H new ATOM 478 N LYS A 68 3.293 23.270 28.578 1.00 15.00 N ATOM 479 CA LYS A 68 2.617 22.134 29.202 1.00 15.00 C ATOM 480 C LYS A 68 1.597 22.614 30.230 1.00 15.00 C ATOM 481 O LYS A 68 1.772 23.657 30.862 1.00 15.00 O ATOM 482 CB LYS A 68 3.644 21.232 29.890 1.00 15.00 C ATOM 483 CG LYS A 68 4.594 20.645 28.846 1.00 15.00 C ATOM 484 CD LYS A 68 5.551 19.661 29.520 1.00 15.00 C ATOM 485 CE LYS A 68 6.579 19.165 28.501 1.00 15.00 C ATOM 486 NZ LYS A 68 7.733 18.554 29.218 1.00 15.00 N ATOM 0 H LYS A 68 3.781 23.882 29.232 1.00 15.00 H new ATOM 0 HA LYS A 68 2.098 21.573 28.425 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.207 21.803 30.628 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.137 20.430 30.426 1.00 15.00 H new ATOM 0 HG2 LYS A 68 4.025 20.139 28.066 1.00 15.00 H new ATOM 0 HG3 LYS A 68 5.158 21.443 28.363 1.00 15.00 H new ATOM 0 HD2 LYS A 68 6.057 20.145 30.356 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.994 18.818 29.929 1.00 15.00 H new ATOM 0 HE2 LYS A 68 6.122 18.433 27.834 1.00 15.00 H new ATOM 0 HE3 LYS A 68 6.920 19.993 27.880 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 8.432 18.217 28.526 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 8.173 19.265 29.837 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 7.400 17.753 29.793 1.00 15.00 H new ATOM 500 N THR A 69 0.538 21.832 30.420 1.00 15.00 N ATOM 501 CA THR A 69 -0.516 22.198 31.362 1.00 15.00 C ATOM 502 C THR A 69 0.057 22.475 32.749 1.00 15.00 C ATOM 503 O THR A 69 0.915 21.741 33.236 1.00 15.00 O ATOM 504 CB THR A 69 -1.551 21.073 31.450 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.549 21.427 32.397 1.00 15.00 O ATOM 506 CG2 THR A 69 -0.868 19.776 31.887 1.00 15.00 C ATOM 0 H THR A 69 0.387 20.946 29.938 1.00 15.00 H new ATOM 0 HA THR A 69 -0.993 23.108 30.998 1.00 15.00 H new ATOM 0 HB THR A 69 -2.010 20.924 30.472 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.214 20.710 32.455 1.00 15.00 H new ATOM 0 HG21 THR A 69 -1.608 18.978 31.948 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.102 19.505 31.160 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.407 19.919 32.864 1.00 15.00 H new ATOM 514 N GLY A 70 -0.429 23.543 33.377 1.00 15.00 N ATOM 515 CA GLY A 70 0.040 23.922 34.709 1.00 15.00 C ATOM 516 C GLY A 70 0.969 25.138 34.678 1.00 15.00 C ATOM 517 O GLY A 70 1.092 25.847 35.677 1.00 15.00 O ATOM 0 H GLY A 70 -1.143 24.159 32.988 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -0.818 24.140 35.345 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.564 23.079 35.160 1.00 15.00 H new ATOM 521 N GLU A 71 1.624 25.387 33.543 1.00 15.00 N ATOM 522 CA GLU A 71 2.534 26.522 33.426 1.00 15.00 C ATOM 523 C GLU A 71 1.899 27.637 32.601 1.00 15.00 C ATOM 524 O GLU A 71 1.161 27.376 31.651 1.00 15.00 O ATOM 525 CB GLU A 71 3.837 26.079 32.760 1.00 15.00 C ATOM 526 CG GLU A 71 4.858 27.222 32.821 1.00 15.00 C ATOM 527 CD GLU A 71 6.156 26.873 32.085 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.245 25.801 31.502 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.055 27.697 32.116 1.00 15.00 O ATOM 0 H GLU A 71 1.541 24.821 32.698 1.00 15.00 H new ATOM 0 HA GLU A 71 2.744 26.898 34.427 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.233 25.197 33.263 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.651 25.799 31.723 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.423 28.120 32.383 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.083 27.452 33.862 1.00 15.00 H new ATOM 536 N THR A 72 2.193 28.881 32.971 1.00 15.00 N ATOM 537 CA THR A 72 1.676 30.038 32.243 1.00 15.00 C ATOM 538 C THR A 72 2.823 30.787 31.573 1.00 15.00 C ATOM 539 O THR A 72 3.985 30.623 31.944 1.00 15.00 O ATOM 540 CB THR A 72 0.940 30.983 33.199 1.00 15.00 C ATOM 541 OG1 THR A 72 1.860 31.504 34.147 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.176 30.229 33.924 1.00 15.00 C ATOM 0 H THR A 72 2.785 29.114 33.768 1.00 15.00 H new ATOM 0 HA THR A 72 0.979 29.686 31.483 1.00 15.00 H new ATOM 0 HB THR A 72 0.501 31.801 32.628 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.871 30.931 34.942 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.694 30.908 34.601 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.883 29.836 33.194 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.253 29.405 34.494 1.00 15.00 H new ATOM 550 N VAL A 73 2.493 31.626 30.595 1.00 15.00 N ATOM 551 CA VAL A 73 3.517 32.354 29.851 1.00 15.00 C ATOM 552 C VAL A 73 4.371 33.188 30.805 1.00 15.00 C ATOM 553 O VAL A 73 5.600 33.177 30.724 1.00 15.00 O ATOM 554 CB VAL A 73 2.859 33.260 28.802 1.00 15.00 C ATOM 555 CG1 VAL A 73 3.931 33.975 27.974 1.00 15.00 C ATOM 556 CG2 VAL A 73 1.986 32.418 27.867 1.00 15.00 C ATOM 0 H VAL A 73 1.535 31.818 30.301 1.00 15.00 H new ATOM 0 HA VAL A 73 4.161 31.635 29.344 1.00 15.00 H new ATOM 0 HB VAL A 73 2.245 34.000 29.316 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.452 34.615 27.233 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.553 34.583 28.631 1.00 15.00 H new ATOM 0 HG13 VAL A 73 4.553 33.236 27.468 1.00 15.00 H new ATOM 0 HG21 VAL A 73 1.520 33.065 27.123 1.00 15.00 H new ATOM 0 HG22 VAL A 73 2.604 31.674 27.365 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.212 31.915 28.447 1.00 15.00 H new ATOM 566 N ALA A 74 3.717 33.884 31.729 1.00 15.00 N ATOM 567 CA ALA A 74 4.435 34.737 32.670 1.00 15.00 C ATOM 568 C ALA A 74 5.386 33.909 33.532 1.00 15.00 C ATOM 569 O ALA A 74 6.513 34.326 33.797 1.00 15.00 O ATOM 570 CB ALA A 74 3.441 35.489 33.560 1.00 15.00 C ATOM 0 H ALA A 74 2.704 33.876 31.846 1.00 15.00 H new ATOM 0 HA ALA A 74 5.023 35.458 32.102 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.986 36.123 34.259 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.792 36.107 32.939 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.836 34.773 34.116 1.00 15.00 H new ATOM 576 N ASP A 75 4.943 32.723 33.945 1.00 15.00 N ATOM 577 CA ASP A 75 5.765 31.878 34.804 1.00 15.00 C ATOM 578 C ASP A 75 7.070 31.510 34.105 1.00 15.00 C ATOM 579 O ASP A 75 8.150 31.602 34.691 1.00 15.00 O ATOM 580 CB ASP A 75 5.002 30.601 35.170 1.00 15.00 C ATOM 581 CG ASP A 75 3.785 30.921 36.036 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.805 31.931 36.724 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.844 30.145 36.003 1.00 15.00 O ATOM 0 H ASP A 75 4.033 32.331 33.702 1.00 15.00 H new ATOM 0 HA ASP A 75 5.997 32.435 35.712 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.682 30.091 34.261 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.663 29.918 35.703 1.00 15.00 H new ATOM 588 N LEU A 76 6.969 31.122 32.838 1.00 15.00 N ATOM 589 CA LEU A 76 8.153 30.751 32.071 1.00 15.00 C ATOM 590 C LEU A 76 9.123 31.924 31.997 1.00 15.00 C ATOM 591 O LEU A 76 10.329 31.758 32.170 1.00 15.00 O ATOM 592 CB LEU A 76 7.745 30.323 30.658 1.00 15.00 C ATOM 593 CG LEU A 76 8.968 29.819 29.884 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.373 28.436 30.399 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.618 29.720 28.398 1.00 15.00 C ATOM 0 H LEU A 76 6.090 31.057 32.325 1.00 15.00 H new ATOM 0 HA LEU A 76 8.647 29.917 32.570 1.00 15.00 H new ATOM 0 HB2 LEU A 76 6.991 29.538 30.711 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.293 31.164 30.132 1.00 15.00 H new ATOM 0 HG LEU A 76 9.796 30.514 30.025 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.243 28.082 29.846 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.619 28.500 31.459 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.546 27.739 30.260 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.485 29.362 27.843 1.00 15.00 H new ATOM 0 HD22 LEU A 76 7.789 29.024 28.265 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.330 30.703 28.026 1.00 15.00 H new ATOM 607 N SER A 77 8.586 33.117 31.764 1.00 15.00 N ATOM 608 CA SER A 77 9.417 34.308 31.643 1.00 15.00 C ATOM 609 C SER A 77 10.217 34.549 32.918 1.00 15.00 C ATOM 610 O SER A 77 11.394 34.902 32.860 1.00 15.00 O ATOM 611 CB SER A 77 8.534 35.523 31.357 1.00 15.00 C ATOM 612 OG SER A 77 9.353 36.619 30.977 1.00 15.00 O ATOM 0 H SER A 77 7.586 33.284 31.656 1.00 15.00 H new ATOM 0 HA SER A 77 10.116 34.156 30.821 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.824 35.292 30.563 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.951 35.779 32.241 1.00 15.00 H new ATOM 0 HG SER A 77 10.173 36.616 31.513 1.00 15.00 H new ATOM 618 N LYS A 78 9.572 34.365 34.064 1.00 15.00 N ATOM 619 CA LYS A 78 10.229 34.600 35.344 1.00 15.00 C ATOM 620 C LYS A 78 11.407 33.648 35.539 1.00 15.00 C ATOM 621 O LYS A 78 12.496 34.065 35.934 1.00 15.00 O ATOM 622 CB LYS A 78 9.225 34.413 36.484 1.00 15.00 C ATOM 623 CG LYS A 78 9.873 34.809 37.814 1.00 15.00 C ATOM 624 CD LYS A 78 8.895 34.539 38.960 1.00 15.00 C ATOM 625 CE LYS A 78 9.480 35.076 40.267 1.00 15.00 C ATOM 626 NZ LYS A 78 8.375 35.345 41.231 1.00 15.00 N ATOM 0 H LYS A 78 8.602 34.056 34.133 1.00 15.00 H new ATOM 0 HA LYS A 78 10.607 35.622 35.350 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.339 35.022 36.305 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.895 33.375 36.524 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.792 34.243 37.965 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.147 35.864 37.797 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.937 35.017 38.755 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.706 33.469 39.046 1.00 15.00 H new ATOM 0 HE2 LYS A 78 10.178 34.353 40.690 1.00 15.00 H new ATOM 0 HE3 LYS A 78 10.043 35.990 40.078 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 8.771 35.710 42.120 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 7.725 36.049 40.827 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.856 34.463 41.419 1.00 15.00 H new ATOM 640 N SER A 79 11.180 32.369 35.261 1.00 15.00 N ATOM 641 CA SER A 79 12.215 31.359 35.458 1.00 15.00 C ATOM 642 C SER A 79 13.431 31.642 34.582 1.00 15.00 C ATOM 643 O SER A 79 14.572 31.543 35.036 1.00 15.00 O ATOM 644 CB SER A 79 11.658 29.974 35.126 1.00 15.00 C ATOM 645 OG SER A 79 12.617 28.987 35.481 1.00 15.00 O ATOM 0 H SER A 79 10.296 32.008 34.901 1.00 15.00 H new ATOM 0 HA SER A 79 12.526 31.391 36.502 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.727 29.804 35.666 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.426 29.907 34.063 1.00 15.00 H new ATOM 0 HG SER A 79 12.264 28.097 35.271 1.00 15.00 H new ATOM 651 N GLN A 80 13.179 31.992 33.327 1.00 15.00 N ATOM 652 CA GLN A 80 14.260 32.278 32.384 1.00 15.00 C ATOM 653 C GLN A 80 14.908 33.654 32.600 1.00 15.00 C ATOM 654 O GLN A 80 15.898 33.971 31.941 1.00 15.00 O ATOM 655 CB GLN A 80 13.725 32.194 30.954 1.00 15.00 C ATOM 656 CG GLN A 80 13.270 30.762 30.662 1.00 15.00 C ATOM 657 CD GLN A 80 12.649 30.667 29.269 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.269 31.679 28.679 1.00 15.00 O ATOM 659 NE2 GLN A 80 12.523 29.498 28.704 1.00 15.00 N ATOM 0 H GLN A 80 12.241 32.085 32.937 1.00 15.00 H new ATOM 0 HA GLN A 80 15.033 31.530 32.558 1.00 15.00 H new ATOM 0 HB2 GLN A 80 12.892 32.885 30.825 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.499 32.492 30.247 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.120 30.083 30.734 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.545 30.445 31.412 1.00 15.00 H new ATOM 0 HE21 GLN A 80 12.837 28.659 29.192 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.110 29.423 27.774 1.00 15.00 H new ATOM 668 N ASP A 81 14.364 34.469 33.504 1.00 15.00 N ATOM 669 CA ASP A 81 14.905 35.803 33.742 1.00 15.00 C ATOM 670 C ASP A 81 14.858 36.634 32.460 1.00 15.00 C ATOM 671 O ASP A 81 15.799 37.357 32.131 1.00 15.00 O ATOM 672 CB ASP A 81 16.346 35.696 34.251 1.00 15.00 C ATOM 673 CG ASP A 81 16.843 37.065 34.704 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.538 37.443 35.823 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.523 37.713 33.926 1.00 15.00 O ATOM 0 H ASP A 81 13.556 34.230 34.078 1.00 15.00 H new ATOM 0 HA ASP A 81 14.297 36.300 34.498 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.396 34.990 35.080 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.991 35.309 33.462 1.00 15.00 H new ATOM 680 N ILE A 82 13.743 36.529 31.744 1.00 15.00 N ATOM 681 CA ILE A 82 13.552 37.272 30.500 1.00 15.00 C ATOM 682 C ILE A 82 12.384 38.242 30.654 1.00 15.00 C ATOM 683 O ILE A 82 11.426 37.960 31.374 1.00 15.00 O ATOM 684 CB ILE A 82 13.273 36.304 29.343 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.416 35.291 29.226 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.163 37.083 28.029 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.052 34.224 28.193 1.00 15.00 C ATOM 0 H ILE A 82 12.955 35.935 32.004 1.00 15.00 H new ATOM 0 HA ILE A 82 14.461 37.832 30.280 1.00 15.00 H new ATOM 0 HB ILE A 82 12.337 35.781 29.540 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.335 35.797 28.932 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.604 34.826 30.194 1.00 15.00 H new ATOM 0 HG21 ILE A 82 12.965 36.390 27.211 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.348 37.803 28.100 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.098 37.611 27.839 1.00 15.00 H new ATOM 0 HD11 ILE A 82 14.866 33.504 28.111 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.143 33.710 28.506 1.00 15.00 H new ATOM 0 HD13 ILE A 82 13.887 34.696 27.225 1.00 15.00 H new ATOM 699 N ASN A 83 12.473 39.388 29.987 1.00 15.00 N ATOM 700 CA ASN A 83 11.401 40.375 30.045 1.00 15.00 C ATOM 701 C ASN A 83 10.297 40.014 29.058 1.00 15.00 C ATOM 702 O ASN A 83 10.567 39.622 27.922 1.00 15.00 O ATOM 703 CB ASN A 83 11.951 41.765 29.715 1.00 15.00 C ATOM 704 CG ASN A 83 12.969 42.195 30.766 1.00 15.00 C ATOM 705 OD1 ASN A 83 12.943 41.708 31.897 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.872 43.085 30.459 1.00 15.00 N ATOM 0 H ASN A 83 13.268 39.655 29.406 1.00 15.00 H new ATOM 0 HA ASN A 83 10.988 40.381 31.054 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.418 41.754 28.730 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.135 42.486 29.673 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.557 43.378 31.156 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.893 43.488 29.522 1.00 15.00 H new ATOM 713 N LEU A 84 9.047 40.158 29.488 1.00 15.00 N ATOM 714 CA LEU A 84 7.914 39.806 28.637 1.00 15.00 C ATOM 715 C LEU A 84 7.972 40.565 27.311 1.00 15.00 C ATOM 716 O LEU A 84 7.653 40.011 26.260 1.00 15.00 O ATOM 717 CB LEU A 84 6.597 40.121 29.353 1.00 15.00 C ATOM 718 CG LEU A 84 6.514 39.340 30.669 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.244 39.742 31.421 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.469 37.838 30.377 1.00 15.00 C ATOM 0 H LEU A 84 8.794 40.512 30.410 1.00 15.00 H new ATOM 0 HA LEU A 84 7.966 38.737 28.430 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.528 41.191 29.551 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.754 39.860 28.713 1.00 15.00 H new ATOM 0 HG LEU A 84 7.390 39.567 31.276 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.184 39.187 32.357 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.270 40.811 31.634 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.371 39.515 30.809 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.410 37.287 31.315 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.594 37.612 29.768 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.371 37.545 29.840 1.00 15.00 H new ATOM 732 N SER A 85 8.405 41.822 27.358 1.00 15.00 N ATOM 733 CA SER A 85 8.492 42.630 26.146 1.00 15.00 C ATOM 734 C SER A 85 9.432 41.976 25.138 1.00 15.00 C ATOM 735 O SER A 85 9.114 41.871 23.953 1.00 15.00 O ATOM 736 CB SER A 85 8.999 44.031 26.487 1.00 15.00 C ATOM 737 OG SER A 85 8.898 44.857 25.335 1.00 15.00 O ATOM 0 H SER A 85 8.698 42.298 28.211 1.00 15.00 H new ATOM 0 HA SER A 85 7.497 42.704 25.706 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.415 44.453 27.305 1.00 15.00 H new ATOM 0 HB3 SER A 85 10.034 43.984 26.826 1.00 15.00 H new ATOM 0 HG SER A 85 9.221 45.757 25.549 1.00 15.00 H new ATOM 743 N THR A 86 10.580 41.512 25.619 1.00 15.00 N ATOM 744 CA THR A 86 11.564 40.886 24.741 1.00 15.00 C ATOM 745 C THR A 86 10.985 39.635 24.086 1.00 15.00 C ATOM 746 O THR A 86 11.139 39.418 22.883 1.00 15.00 O ATOM 747 CB THR A 86 12.814 40.514 25.542 1.00 15.00 C ATOM 748 OG1 THR A 86 13.290 41.662 26.231 1.00 15.00 O ATOM 749 CG2 THR A 86 13.899 40.000 24.594 1.00 15.00 C ATOM 0 H THR A 86 10.851 41.556 26.601 1.00 15.00 H new ATOM 0 HA THR A 86 11.830 41.598 23.960 1.00 15.00 H new ATOM 0 HB THR A 86 12.566 39.733 26.261 1.00 15.00 H new ATOM 0 HG1 THR A 86 14.090 41.426 26.746 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.788 39.736 25.167 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.533 39.120 24.066 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.150 40.778 23.873 1.00 15.00 H new ATOM 757 N ILE A 87 10.284 38.829 24.877 1.00 15.00 N ATOM 758 CA ILE A 87 9.727 37.577 24.375 1.00 15.00 C ATOM 759 C ILE A 87 8.801 37.855 23.195 1.00 15.00 C ATOM 760 O ILE A 87 8.879 37.192 22.164 1.00 15.00 O ATOM 761 CB ILE A 87 8.960 36.858 25.493 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.899 36.604 26.676 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.430 35.513 24.985 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.099 36.053 27.857 1.00 15.00 C ATOM 0 H ILE A 87 10.089 39.018 25.860 1.00 15.00 H new ATOM 0 HA ILE A 87 10.541 36.935 24.039 1.00 15.00 H new ATOM 0 HB ILE A 87 8.125 37.484 25.806 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.678 35.897 26.390 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.398 37.530 26.962 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.887 35.010 25.785 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.760 35.681 24.142 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.265 34.890 24.666 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.769 35.873 28.698 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.337 36.775 28.149 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.620 35.117 27.567 1.00 15.00 H new ATOM 776 N TRP A 88 7.935 38.850 23.350 1.00 15.00 N ATOM 777 CA TRP A 88 7.012 39.214 22.281 1.00 15.00 C ATOM 778 C TRP A 88 7.760 39.638 21.019 1.00 15.00 C ATOM 779 O TRP A 88 7.455 39.169 19.925 1.00 15.00 O ATOM 780 CB TRP A 88 6.095 40.352 22.733 1.00 15.00 C ATOM 781 CG TRP A 88 5.079 40.735 21.703 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.956 40.036 21.421 1.00 15.00 C ATOM 783 CD2 TRP A 88 5.078 41.887 20.809 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.262 40.686 20.418 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.912 41.832 20.006 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.962 42.963 20.621 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.637 42.812 19.049 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.689 43.948 19.660 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.530 43.875 18.876 1.00 15.00 C ATOM 0 H TRP A 88 7.852 39.414 24.196 1.00 15.00 H new ATOM 0 HA TRP A 88 6.414 38.332 22.050 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.582 40.055 23.647 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.702 41.224 22.977 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.651 39.118 21.902 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.377 40.359 20.030 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.858 43.032 21.220 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.742 42.749 18.448 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.377 44.769 19.523 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.326 44.638 18.139 1.00 15.00 H new ATOM 800 N SER A 89 8.766 40.495 21.172 1.00 15.00 N ATOM 801 CA SER A 89 9.480 41.031 20.015 1.00 15.00 C ATOM 802 C SER A 89 10.004 39.912 19.116 1.00 15.00 C ATOM 803 O SER A 89 9.970 40.027 17.891 1.00 15.00 O ATOM 804 CB SER A 89 10.651 41.898 20.482 1.00 15.00 C ATOM 805 OG SER A 89 11.642 41.067 21.069 1.00 15.00 O ATOM 0 H SER A 89 9.103 40.831 22.074 1.00 15.00 H new ATOM 0 HA SER A 89 8.778 41.634 19.439 1.00 15.00 H new ATOM 0 HB2 SER A 89 11.072 42.446 19.639 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.306 42.638 21.204 1.00 15.00 H new ATOM 0 HG SER A 89 11.320 40.733 21.932 1.00 15.00 H new ATOM 811 N LEU A 90 10.488 38.835 19.727 1.00 15.00 N ATOM 812 CA LEU A 90 10.982 37.696 18.958 1.00 15.00 C ATOM 813 C LEU A 90 9.835 36.870 18.373 1.00 15.00 C ATOM 814 O LEU A 90 9.801 36.599 17.172 1.00 15.00 O ATOM 815 CB LEU A 90 11.843 36.805 19.856 1.00 15.00 C ATOM 816 CG LEU A 90 13.014 37.615 20.420 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.784 36.771 21.439 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.954 38.015 19.279 1.00 15.00 C ATOM 0 H LEU A 90 10.549 38.726 20.739 1.00 15.00 H new ATOM 0 HA LEU A 90 11.577 38.083 18.131 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.240 36.404 20.671 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.218 35.954 19.288 1.00 15.00 H new ATOM 0 HG LEU A 90 12.629 38.510 20.909 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.616 37.351 21.838 1.00 15.00 H new ATOM 0 HD12 LEU A 90 13.118 36.486 22.253 1.00 15.00 H new ATOM 0 HD13 LEU A 90 14.167 35.874 20.953 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.788 38.592 19.680 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.335 37.118 18.790 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.409 38.620 18.554 1.00 15.00 H new ATOM 830 N ASN A 91 8.879 36.497 19.221 1.00 15.00 N ATOM 831 CA ASN A 91 7.794 35.606 18.804 1.00 15.00 C ATOM 832 C ASN A 91 6.603 36.338 18.171 1.00 15.00 C ATOM 833 O ASN A 91 5.565 35.723 17.924 1.00 15.00 O ATOM 834 CB ASN A 91 7.305 34.807 20.014 1.00 15.00 C ATOM 835 CG ASN A 91 8.425 33.911 20.532 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.325 32.687 20.461 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.496 34.444 21.052 1.00 15.00 N ATOM 0 H ASN A 91 8.832 36.795 20.195 1.00 15.00 H new ATOM 0 HA ASN A 91 8.206 34.953 18.035 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.978 35.486 20.801 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.442 34.202 19.736 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.247 33.846 21.398 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.583 35.458 21.113 1.00 15.00 H new ATOM 844 N LYS A 92 6.734 37.638 17.914 1.00 15.00 N ATOM 845 CA LYS A 92 5.662 38.396 17.277 1.00 15.00 C ATOM 846 C LYS A 92 5.176 37.732 15.985 1.00 15.00 C ATOM 847 O LYS A 92 4.011 37.875 15.614 1.00 15.00 O ATOM 848 CB LYS A 92 6.134 39.835 17.015 1.00 15.00 C ATOM 849 CG LYS A 92 7.227 39.868 15.940 1.00 15.00 C ATOM 850 CD LYS A 92 7.760 41.295 15.797 1.00 15.00 C ATOM 851 CE LYS A 92 8.605 41.400 14.526 1.00 15.00 C ATOM 852 NZ LYS A 92 7.749 41.122 13.337 1.00 15.00 N ATOM 0 H LYS A 92 7.566 38.184 18.136 1.00 15.00 H new ATOM 0 HA LYS A 92 4.810 38.416 17.956 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.289 40.447 16.698 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.514 40.271 17.939 1.00 15.00 H new ATOM 0 HG2 LYS A 92 8.038 39.191 16.210 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.826 39.521 14.988 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.931 42.001 15.755 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.360 41.559 16.668 1.00 15.00 H new ATOM 0 HE2 LYS A 92 9.042 42.395 14.448 1.00 15.00 H new ATOM 0 HE3 LYS A 92 9.432 40.691 14.566 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 7.905 41.857 12.618 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 7.996 40.192 12.941 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 6.749 41.123 13.622 1.00 15.00 H new ATOM 866 N HIS A 93 6.069 37.026 15.293 1.00 15.00 N ATOM 867 CA HIS A 93 5.694 36.354 14.054 1.00 15.00 C ATOM 868 C HIS A 93 4.783 35.155 14.327 1.00 15.00 C ATOM 869 O HIS A 93 3.871 34.873 13.550 1.00 15.00 O ATOM 870 CB HIS A 93 6.948 35.919 13.283 1.00 15.00 C ATOM 871 CG HIS A 93 7.698 34.760 13.890 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.654 34.921 14.881 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.654 33.411 13.630 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.145 33.703 15.173 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.569 32.747 14.441 1.00 15.00 N ATOM 0 H HIS A 93 7.044 36.906 15.566 1.00 15.00 H new ATOM 0 HA HIS A 93 5.135 37.061 13.441 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.657 35.652 12.267 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.624 36.771 13.208 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.934 35.803 15.311 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.007 32.938 12.906 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.913 33.521 15.911 1.00 15.00 H new ATOM 883 N LEU A 94 5.033 34.450 15.428 1.00 15.00 N ATOM 884 CA LEU A 94 4.239 33.272 15.769 1.00 15.00 C ATOM 885 C LEU A 94 2.815 33.649 16.165 1.00 15.00 C ATOM 886 O LEU A 94 1.855 33.011 15.734 1.00 15.00 O ATOM 887 CB LEU A 94 4.890 32.520 16.931 1.00 15.00 C ATOM 888 CG LEU A 94 6.312 32.103 16.554 1.00 15.00 C ATOM 889 CD1 LEU A 94 6.992 31.465 17.766 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.265 31.088 15.408 1.00 15.00 C ATOM 0 H LEU A 94 5.773 34.671 16.094 1.00 15.00 H new ATOM 0 HA LEU A 94 4.199 32.639 14.883 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.911 33.153 17.818 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.299 31.639 17.182 1.00 15.00 H new ATOM 0 HG LEU A 94 6.874 32.982 16.237 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.006 31.167 17.499 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.029 32.185 18.584 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.427 30.588 18.080 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.280 30.793 15.142 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.702 30.209 15.723 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.779 31.539 14.543 1.00 15.00 H new ATOM 902 N TYR A 95 2.680 34.690 16.985 1.00 15.00 N ATOM 903 CA TYR A 95 1.365 35.099 17.478 1.00 15.00 C ATOM 904 C TYR A 95 0.938 36.425 16.856 1.00 15.00 C ATOM 905 O TYR A 95 1.768 37.286 16.568 1.00 15.00 O ATOM 906 CB TYR A 95 1.405 35.239 19.001 1.00 15.00 C ATOM 907 CG TYR A 95 1.832 33.975 19.708 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.914 32.937 19.901 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.148 33.840 20.170 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.308 31.764 20.556 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.542 32.667 20.826 1.00 15.00 C ATOM 912 CZ TYR A 95 2.622 31.629 21.019 1.00 15.00 C ATOM 913 OH TYR A 95 3.008 30.474 21.669 1.00 15.00 O ATOM 0 H TYR A 95 3.456 35.261 17.320 1.00 15.00 H new ATOM 0 HA TYR A 95 0.641 34.335 17.197 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.090 36.044 19.267 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.417 35.530 19.358 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.100 33.041 19.544 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.858 34.640 20.020 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.598 30.964 20.704 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.556 32.563 21.183 1.00 15.00 H new ATOM 0 HH TYR A 95 3.737 30.047 21.172 1.00 15.00 H new ATOM 923 N SER A 96 -0.367 36.582 16.665 1.00 15.00 N ATOM 924 CA SER A 96 -0.900 37.772 16.013 1.00 15.00 C ATOM 925 C SER A 96 -0.982 38.954 16.975 1.00 15.00 C ATOM 926 O SER A 96 -0.725 40.093 16.587 1.00 15.00 O ATOM 927 CB SER A 96 -2.291 37.474 15.453 1.00 15.00 C ATOM 928 OG SER A 96 -2.217 36.346 14.593 1.00 15.00 O ATOM 0 H SER A 96 -1.073 35.903 16.951 1.00 15.00 H new ATOM 0 HA SER A 96 -0.220 38.041 15.204 1.00 15.00 H new ATOM 0 HB2 SER A 96 -2.990 37.280 16.267 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.669 38.338 14.907 1.00 15.00 H new ATOM 0 HG SER A 96 -3.107 36.150 14.233 1.00 15.00 H new ATOM 934 N SER A 97 -1.337 38.682 18.229 1.00 15.00 N ATOM 935 CA SER A 97 -1.550 39.757 19.193 1.00 15.00 C ATOM 936 C SER A 97 -1.248 39.300 20.618 1.00 15.00 C ATOM 937 O SER A 97 -1.054 38.113 20.876 1.00 15.00 O ATOM 938 CB SER A 97 -2.996 40.246 19.113 1.00 15.00 C ATOM 939 OG SER A 97 -3.856 39.243 19.635 1.00 15.00 O ATOM 0 H SER A 97 -1.481 37.742 18.597 1.00 15.00 H new ATOM 0 HA SER A 97 -0.867 40.569 18.943 1.00 15.00 H new ATOM 0 HB2 SER A 97 -3.112 41.171 19.677 1.00 15.00 H new ATOM 0 HB3 SER A 97 -3.261 40.468 18.079 1.00 15.00 H new ATOM 0 HG SER A 97 -4.785 39.552 19.588 1.00 15.00 H new ATOM 945 N GLU A 98 -1.214 40.263 21.536 1.00 15.00 N ATOM 946 CA GLU A 98 -0.935 39.972 22.939 1.00 15.00 C ATOM 947 C GLU A 98 -1.995 39.047 23.534 1.00 15.00 C ATOM 948 O GLU A 98 -1.685 38.173 24.344 1.00 15.00 O ATOM 949 CB GLU A 98 -0.915 41.276 23.740 1.00 15.00 C ATOM 950 CG GLU A 98 0.202 42.191 23.228 1.00 15.00 C ATOM 951 CD GLU A 98 1.583 41.561 23.424 1.00 15.00 C ATOM 952 OE1 GLU A 98 1.704 40.622 24.198 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.513 42.040 22.796 1.00 15.00 O ATOM 0 H GLU A 98 -1.376 41.250 21.334 1.00 15.00 H new ATOM 0 HA GLU A 98 0.034 39.476 22.993 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -1.877 41.780 23.653 1.00 15.00 H new ATOM 0 HB3 GLU A 98 -0.763 41.060 24.798 1.00 15.00 H new ATOM 0 HG2 GLU A 98 0.044 42.401 22.170 1.00 15.00 H new ATOM 0 HG3 GLU A 98 0.160 43.146 23.752 1.00 15.00 H new ATOM 960 N SER A 99 -3.247 39.237 23.129 1.00 15.00 N ATOM 961 CA SER A 99 -4.347 38.469 23.701 1.00 15.00 C ATOM 962 C SER A 99 -4.108 36.970 23.546 1.00 15.00 C ATOM 963 O SER A 99 -4.303 36.200 24.486 1.00 15.00 O ATOM 964 CB SER A 99 -5.659 38.849 23.014 1.00 15.00 C ATOM 965 OG SER A 99 -6.742 38.243 23.707 1.00 15.00 O ATOM 0 H SER A 99 -3.523 39.910 22.414 1.00 15.00 H new ATOM 0 HA SER A 99 -4.406 38.703 24.764 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.778 39.932 23.005 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.648 38.521 21.975 1.00 15.00 H new ATOM 0 HG SER A 99 -7.586 38.485 23.271 1.00 15.00 H new ATOM 971 N GLU A 100 -3.650 36.563 22.367 1.00 15.00 N ATOM 972 CA GLU A 100 -3.424 35.146 22.100 1.00 15.00 C ATOM 973 C GLU A 100 -2.374 34.562 23.042 1.00 15.00 C ATOM 974 O GLU A 100 -2.479 33.403 23.446 1.00 15.00 O ATOM 975 CB GLU A 100 -3.000 34.953 20.642 1.00 15.00 C ATOM 976 CG GLU A 100 -4.171 35.334 19.729 1.00 15.00 C ATOM 977 CD GLU A 100 -3.840 35.100 18.253 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.673 34.947 17.923 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.768 35.111 17.460 1.00 15.00 O ATOM 0 H GLU A 100 -3.430 37.185 21.589 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.358 34.613 22.276 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.131 35.571 20.417 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.708 33.917 20.468 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -5.050 34.749 20.002 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.426 36.383 19.883 1.00 15.00 H new ATOM 986 N MET A 101 -1.364 35.357 23.390 1.00 15.00 N ATOM 987 CA MET A 101 -0.337 34.898 24.320 1.00 15.00 C ATOM 988 C MET A 101 -0.927 34.666 25.709 1.00 15.00 C ATOM 989 O MET A 101 -0.716 33.619 26.318 1.00 15.00 O ATOM 990 CB MET A 101 0.788 35.932 24.413 1.00 15.00 C ATOM 991 CG MET A 101 1.496 36.043 23.061 1.00 15.00 C ATOM 992 SD MET A 101 2.952 37.105 23.229 1.00 15.00 S ATOM 993 CE MET A 101 3.986 35.944 24.158 1.00 15.00 C ATOM 0 H MET A 101 -1.236 36.309 23.047 1.00 15.00 H new ATOM 0 HA MET A 101 0.062 33.956 23.945 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.382 36.901 24.703 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.500 35.641 25.185 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.792 35.054 22.711 1.00 15.00 H new ATOM 0 HG3 MET A 101 0.816 36.455 22.315 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.033 36.103 23.900 1.00 15.00 H new ATOM 0 HE2 MET A 101 3.847 36.107 25.227 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.701 34.922 23.907 1.00 15.00 H new ATOM 1003 N MET A 102 -1.719 35.622 26.181 1.00 15.00 N ATOM 1004 CA MET A 102 -2.310 35.525 27.514 1.00 15.00 C ATOM 1005 C MET A 102 -3.181 34.277 27.648 1.00 15.00 C ATOM 1006 O MET A 102 -3.207 33.638 28.700 1.00 15.00 O ATOM 1007 CB MET A 102 -3.156 36.769 27.796 1.00 15.00 C ATOM 1008 CG MET A 102 -2.257 38.006 27.810 1.00 15.00 C ATOM 1009 SD MET A 102 -3.215 39.440 28.361 1.00 15.00 S ATOM 1010 CE MET A 102 -3.341 38.973 30.104 1.00 15.00 C ATOM 0 H MET A 102 -1.966 36.467 25.667 1.00 15.00 H new ATOM 0 HA MET A 102 -1.498 35.455 28.238 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.928 36.877 27.034 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.665 36.666 28.754 1.00 15.00 H new ATOM 0 HG2 MET A 102 -1.408 37.845 28.475 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.852 38.186 26.814 1.00 15.00 H new ATOM 0 HE1 MET A 102 -3.326 39.870 30.723 1.00 15.00 H new ATOM 0 HE2 MET A 102 -4.274 38.434 30.270 1.00 15.00 H new ATOM 0 HE3 MET A 102 -2.500 38.333 30.371 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.892 33.937 26.578 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.790 32.782 26.593 1.00 15.00 C ATOM 1022 C LYS A 103 -4.108 31.495 26.111 1.00 15.00 C ATOM 1023 O LYS A 103 -4.791 30.526 25.777 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.999 33.067 25.701 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.794 34.243 26.276 1.00 15.00 C ATOM 1026 CD LYS A 103 -8.060 34.459 25.444 1.00 15.00 C ATOM 1027 CE LYS A 103 -8.793 35.706 25.942 1.00 15.00 C ATOM 1028 NZ LYS A 103 -10.005 35.937 25.108 1.00 15.00 N ATOM 0 H LYS A 103 -3.866 34.441 25.692 1.00 15.00 H new ATOM 0 HA LYS A 103 -5.095 32.626 27.628 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.670 33.298 24.688 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.633 32.183 25.637 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -7.058 34.044 27.315 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -6.184 35.146 26.270 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.801 34.573 24.391 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.710 33.588 25.520 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -9.076 35.581 26.987 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -8.134 36.573 25.892 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -10.503 36.785 25.447 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.723 36.074 24.116 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -10.636 35.114 25.178 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.775 31.470 26.069 1.00 15.00 N ATOM 1043 CA ALA A 104 -2.049 30.294 25.599 1.00 15.00 C ATOM 1044 C ALA A 104 -2.485 29.034 26.343 1.00 15.00 C ATOM 1045 O ALA A 104 -2.785 29.073 27.536 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.545 30.502 25.790 1.00 15.00 C ATOM 0 H ALA A 104 -2.180 32.248 26.354 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.275 30.162 24.541 1.00 15.00 H new ATOM 0 HB1 ALA A 104 -0.008 29.621 25.438 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.223 31.375 25.222 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.331 30.659 26.847 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.515 27.920 25.619 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.925 26.641 26.191 1.00 15.00 C ATOM 1054 C ALA A 105 -1.889 25.557 25.876 1.00 15.00 C ATOM 1055 O ALA A 105 -1.017 25.771 25.033 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.286 26.235 25.620 1.00 15.00 C ATOM 0 H ALA A 105 -2.260 27.876 24.632 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.001 26.749 27.273 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.590 25.280 26.048 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.026 26.996 25.868 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.212 26.140 24.537 1.00 15.00 H new ATOM 1062 N PRO A 106 -1.954 24.409 26.522 1.00 15.00 N ATOM 1063 CA PRO A 106 -0.962 23.317 26.276 1.00 15.00 C ATOM 1064 C PRO A 106 -0.900 22.905 24.806 1.00 15.00 C ATOM 1065 O PRO A 106 -1.907 22.930 24.101 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.444 22.150 27.143 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.315 22.763 28.185 1.00 15.00 C ATOM 1068 CD PRO A 106 -2.941 23.997 27.543 1.00 15.00 C ATOM 0 HA PRO A 106 0.048 23.642 26.526 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -1.996 21.421 26.549 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.603 21.623 27.594 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.083 22.062 28.512 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.735 23.035 29.067 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -3.907 23.767 27.094 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.110 24.786 28.276 1.00 15.00 H new ATOM 1076 N GLY A 107 0.293 22.528 24.355 1.00 15.00 N ATOM 1077 CA GLY A 107 0.472 22.052 22.983 1.00 15.00 C ATOM 1078 C GLY A 107 1.111 23.093 22.058 1.00 15.00 C ATOM 1079 O GLY A 107 1.566 22.741 20.968 1.00 15.00 O ATOM 0 H GLY A 107 1.146 22.542 24.914 1.00 15.00 H new ATOM 0 HA2 GLY A 107 1.094 21.157 22.995 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.497 21.762 22.577 1.00 15.00 H new ATOM 1083 N GLN A 108 1.153 24.360 22.474 1.00 15.00 N ATOM 1084 CA GLN A 108 1.738 25.404 21.637 1.00 15.00 C ATOM 1085 C GLN A 108 3.242 25.500 21.861 1.00 15.00 C ATOM 1086 O GLN A 108 3.752 25.081 22.900 1.00 15.00 O ATOM 1087 CB GLN A 108 1.070 26.751 21.916 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.384 26.695 21.446 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.054 28.049 21.647 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.529 28.345 22.741 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.119 28.891 20.652 1.00 15.00 N ATOM 0 H GLN A 108 0.794 24.683 23.372 1.00 15.00 H new ATOM 0 HA GLN A 108 1.565 25.139 20.594 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.112 26.978 22.981 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.602 27.549 21.398 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.423 26.414 20.394 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.924 25.928 22.001 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.723 28.641 19.746 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.565 29.799 20.781 1.00 15.00 H new ATOM 1100 N GLN A 109 3.950 26.045 20.875 1.00 15.00 N ATOM 1101 CA GLN A 109 5.408 26.117 20.935 1.00 15.00 C ATOM 1102 C GLN A 109 5.881 27.553 21.141 1.00 15.00 C ATOM 1103 O GLN A 109 5.214 28.510 20.748 1.00 15.00 O ATOM 1104 CB GLN A 109 6.011 25.575 19.633 1.00 15.00 C ATOM 1105 CG GLN A 109 5.509 24.153 19.349 1.00 15.00 C ATOM 1106 CD GLN A 109 5.854 23.212 20.501 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.995 23.184 20.961 1.00 15.00 O ATOM 1108 NE2 GLN A 109 4.929 22.434 20.993 1.00 15.00 N ATOM 0 H GLN A 109 3.541 26.441 20.029 1.00 15.00 H new ATOM 0 HA GLN A 109 5.738 25.514 21.781 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.746 26.231 18.804 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.099 25.574 19.704 1.00 15.00 H new ATOM 0 HG2 GLN A 109 4.430 24.168 19.197 1.00 15.00 H new ATOM 0 HG3 GLN A 109 5.956 23.783 18.426 1.00 15.00 H new ATOM 0 HE21 GLN A 109 3.984 22.460 20.610 1.00 15.00 H new ATOM 0 HE22 GLN A 109 5.151 21.800 21.761 1.00 15.00 H new ATOM 1117 N ILE A 110 7.023 27.683 21.808 1.00 15.00 N ATOM 1118 CA ILE A 110 7.678 28.973 21.989 1.00 15.00 C ATOM 1119 C ILE A 110 9.127 28.868 21.517 1.00 15.00 C ATOM 1120 O ILE A 110 9.802 27.878 21.795 1.00 15.00 O ATOM 1121 CB ILE A 110 7.627 29.381 23.467 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.164 29.468 23.918 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.299 30.744 23.660 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.092 29.583 25.443 1.00 15.00 C ATOM 0 H ILE A 110 7.518 26.901 22.236 1.00 15.00 H new ATOM 0 HA ILE A 110 7.162 29.733 21.402 1.00 15.00 H new ATOM 0 HB ILE A 110 8.155 28.636 24.062 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.683 30.331 23.457 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.619 28.584 23.586 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.257 31.024 24.712 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.340 30.685 23.341 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.779 31.494 23.064 1.00 15.00 H new ATOM 0 HD11 ILE A 110 5.049 29.644 25.754 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.555 28.707 25.896 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.620 30.480 25.766 1.00 15.00 H new ATOM 1136 N ILE A 111 9.608 29.886 20.810 1.00 15.00 N ATOM 1137 CA ILE A 111 10.983 29.881 20.315 1.00 15.00 C ATOM 1138 C ILE A 111 11.844 30.855 21.118 1.00 15.00 C ATOM 1139 O ILE A 111 11.442 31.989 21.379 1.00 15.00 O ATOM 1140 CB ILE A 111 11.022 30.259 18.827 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.118 29.312 18.030 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.456 30.139 18.303 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.035 29.781 16.574 1.00 15.00 C ATOM 0 H ILE A 111 9.072 30.719 20.568 1.00 15.00 H new ATOM 0 HA ILE A 111 11.383 28.874 20.434 1.00 15.00 H new ATOM 0 HB ILE A 111 10.672 31.285 18.711 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.511 28.296 18.073 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.122 29.287 18.472 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.481 30.408 17.247 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.106 30.811 18.864 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.803 29.113 18.425 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.392 29.105 16.010 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.622 30.789 16.539 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.033 29.783 16.135 1.00 15.00 H new ATOM 1155 N LEU A 112 13.031 30.393 21.499 1.00 15.00 N ATOM 1156 CA LEU A 112 13.993 31.226 22.211 1.00 15.00 C ATOM 1157 C LEU A 112 15.303 31.303 21.422 1.00 15.00 C ATOM 1158 O LEU A 112 16.134 30.399 21.534 1.00 15.00 O ATOM 1159 CB LEU A 112 14.269 30.631 23.592 1.00 15.00 C ATOM 1160 CG LEU A 112 12.980 30.629 24.415 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.100 29.612 25.551 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.750 32.023 25.003 1.00 15.00 C ATOM 0 H LEU A 112 13.351 29.440 21.325 1.00 15.00 H new ATOM 0 HA LEU A 112 13.579 32.228 22.321 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.650 29.615 23.492 1.00 15.00 H new ATOM 0 HB3 LEU A 112 15.038 31.211 24.102 1.00 15.00 H new ATOM 0 HG LEU A 112 12.141 30.360 23.774 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.181 29.611 26.137 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.265 28.619 25.134 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.939 29.881 26.193 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.832 32.023 25.590 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.590 32.291 25.644 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.664 32.749 24.195 1.00 15.00 H new ATOM 1174 N PRO A 113 15.485 32.296 20.578 1.00 15.00 N ATOM 1175 CA PRO A 113 16.770 32.473 19.845 1.00 15.00 C ATOM 1176 C PRO A 113 17.768 33.324 20.631 1.00 15.00 C ATOM 1177 O PRO A 113 18.109 34.437 20.230 1.00 15.00 O ATOM 1178 CB PRO A 113 16.337 33.168 18.554 1.00 15.00 C ATOM 1179 CG PRO A 113 15.147 33.988 18.932 1.00 15.00 C ATOM 1180 CD PRO A 113 14.517 33.334 20.166 1.00 15.00 C ATOM 0 HA PRO A 113 17.291 31.531 19.674 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.136 33.793 18.156 1.00 15.00 H new ATOM 0 HB3 PRO A 113 16.086 32.442 17.781 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.441 35.015 19.149 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.431 34.028 18.111 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.356 34.062 20.961 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.546 32.898 19.931 1.00 15.00 H new