USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 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 163:sc= 0.204 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 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 -82:sc= -0.061! USER MOD Single : A 77 SER OG : rot -40:sc= 0.531 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.98 K(o=-2,f=-4.5!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -72:sc= 1.25 USER MOD Single : A 91 ASN : amide:sc= -2.44 K(o=-2.4,f=-6.7!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.71 K(o=-2.7,f=-5.2) USER MOD Single : A 95 TYR OH : rot 144:sc= 0.216 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 -112:sc= -0.169 (180deg=-1.21) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.0302 K(o=0.03,f=-2.6!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.408 27.442 20.497 1.00 15.00 N ATOM 386 CA LEU A 63 15.964 26.485 21.507 1.00 15.00 C ATOM 387 C LEU A 63 14.441 26.474 21.579 1.00 15.00 C ATOM 388 O LEU A 63 13.814 27.517 21.760 1.00 15.00 O ATOM 389 CB LEU A 63 16.545 26.862 22.873 1.00 15.00 C ATOM 390 CG LEU A 63 16.342 25.708 23.860 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.417 25.765 24.947 1.00 15.00 C ATOM 392 CD2 LEU A 63 14.961 25.821 24.512 1.00 15.00 C ATOM 0 HA LEU A 63 16.315 25.490 21.232 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.607 27.088 22.777 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.060 27.763 23.248 1.00 15.00 H new ATOM 0 HG LEU A 63 16.415 24.763 23.322 1.00 15.00 H new ATOM 0 HD11 LEU A 63 17.270 24.943 25.648 1.00 15.00 H new ATOM 0 HD12 LEU A 63 18.402 25.680 24.489 1.00 15.00 H new ATOM 0 HD13 LEU A 63 17.346 26.713 25.480 1.00 15.00 H new ATOM 0 HD21 LEU A 63 14.821 24.998 25.213 1.00 15.00 H new ATOM 0 HD22 LEU A 63 14.887 26.769 25.045 1.00 15.00 H new ATOM 0 HD23 LEU A 63 14.191 25.777 23.742 1.00 15.00 H new ATOM 404 N PHE A 64 13.850 25.298 21.395 1.00 15.00 N ATOM 405 CA PHE A 64 12.398 25.168 21.442 1.00 15.00 C ATOM 406 C PHE A 64 11.929 24.710 22.821 1.00 15.00 C ATOM 407 O PHE A 64 12.480 23.768 23.390 1.00 15.00 O ATOM 408 CB PHE A 64 11.931 24.165 20.385 1.00 15.00 C ATOM 409 CG PHE A 64 12.199 24.616 18.969 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.291 25.461 18.320 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.357 24.189 18.306 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.540 25.879 17.007 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.604 24.607 16.993 1.00 15.00 C ATOM 414 CZ PHE A 64 12.696 25.452 16.343 1.00 15.00 C ATOM 0 H PHE A 64 14.349 24.427 21.213 1.00 15.00 H new ATOM 0 HA PHE A 64 11.965 26.147 21.238 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.430 23.211 20.555 1.00 15.00 H new ATOM 0 HB3 PHE A 64 10.862 23.992 20.507 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.399 25.790 18.832 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.058 23.538 18.807 1.00 15.00 H new ATOM 0 HE1 PHE A 64 10.840 26.531 16.506 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.496 24.277 16.481 1.00 15.00 H new ATOM 0 HZ PHE A 64 12.887 25.774 15.330 1.00 15.00 H new ATOM 424 N TYR A 65 10.910 25.381 23.352 1.00 15.00 N ATOM 425 CA TYR A 65 10.289 24.958 24.607 1.00 15.00 C ATOM 426 C TYR A 65 8.807 24.681 24.375 1.00 15.00 C ATOM 427 O TYR A 65 8.154 25.393 23.615 1.00 15.00 O ATOM 428 CB TYR A 65 10.445 26.044 25.673 1.00 15.00 C ATOM 429 CG TYR A 65 10.037 25.583 27.054 1.00 15.00 C ATOM 430 CD1 TYR A 65 10.972 24.948 27.880 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.728 25.786 27.506 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.599 24.516 29.158 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.354 25.353 28.785 1.00 15.00 C ATOM 434 CZ TYR A 65 9.290 24.718 29.611 1.00 15.00 C ATOM 435 OH TYR A 65 8.924 24.288 30.871 1.00 15.00 O ATOM 0 H TYR A 65 10.497 26.216 22.936 1.00 15.00 H new ATOM 0 HA TYR A 65 10.783 24.051 24.955 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.484 26.373 25.699 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.844 26.909 25.393 1.00 15.00 H new ATOM 0 HD1 TYR A 65 11.982 24.791 27.531 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.007 26.276 26.869 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.321 24.027 29.795 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.344 25.509 29.134 1.00 15.00 H new ATOM 0 HH TYR A 65 8.091 24.730 31.138 1.00 15.00 H new ATOM 445 N THR A 66 8.279 23.647 25.025 1.00 15.00 N ATOM 446 CA THR A 66 6.888 23.256 24.817 1.00 15.00 C ATOM 447 C THR A 66 6.013 23.682 25.992 1.00 15.00 C ATOM 448 O THR A 66 6.430 23.620 27.149 1.00 15.00 O ATOM 449 CB THR A 66 6.796 21.738 24.639 1.00 15.00 C ATOM 450 OG1 THR A 66 7.693 21.329 23.616 1.00 15.00 O ATOM 451 CG2 THR A 66 5.367 21.350 24.252 1.00 15.00 C ATOM 0 H THR A 66 8.788 23.070 25.694 1.00 15.00 H new ATOM 0 HA THR A 66 6.528 23.757 23.919 1.00 15.00 H new ATOM 0 HB THR A 66 7.061 21.246 25.575 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.637 20.357 23.501 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.305 20.269 24.126 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.679 21.664 25.037 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.098 21.840 23.317 1.00 15.00 H new ATOM 459 N LEU A 67 4.795 24.113 25.679 1.00 15.00 N ATOM 460 CA LEU A 67 3.839 24.522 26.701 1.00 15.00 C ATOM 461 C LEU A 67 3.054 23.322 27.219 1.00 15.00 C ATOM 462 O LEU A 67 2.481 22.562 26.439 1.00 15.00 O ATOM 463 CB LEU A 67 2.867 25.546 26.107 1.00 15.00 C ATOM 464 CG LEU A 67 3.615 26.836 25.764 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.690 27.767 24.978 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.052 27.531 27.058 1.00 15.00 C ATOM 0 H LEU A 67 4.447 24.188 24.723 1.00 15.00 H new ATOM 0 HA LEU A 67 4.387 24.965 27.533 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.398 25.138 25.212 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.068 25.757 26.818 1.00 15.00 H new ATOM 0 HG LEU A 67 4.492 26.598 25.162 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.222 28.686 24.733 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.374 27.275 24.058 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.814 28.004 25.582 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.585 28.450 26.815 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.174 27.769 27.658 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.709 26.869 27.623 1.00 15.00 H new ATOM 478 N LYS A 68 2.998 23.186 28.542 1.00 15.00 N ATOM 479 CA LYS A 68 2.285 22.078 29.170 1.00 15.00 C ATOM 480 C LYS A 68 1.291 22.600 30.201 1.00 15.00 C ATOM 481 O LYS A 68 1.565 23.564 30.916 1.00 15.00 O ATOM 482 CB LYS A 68 3.282 21.138 29.852 1.00 15.00 C ATOM 483 CG LYS A 68 2.546 19.900 30.368 1.00 15.00 C ATOM 484 CD LYS A 68 3.526 18.999 31.123 1.00 15.00 C ATOM 485 CE LYS A 68 2.830 17.691 31.504 1.00 15.00 C ATOM 486 NZ LYS A 68 2.017 17.900 32.735 1.00 15.00 N ATOM 0 H LYS A 68 3.438 23.830 29.199 1.00 15.00 H new ATOM 0 HA LYS A 68 1.741 21.534 28.398 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.061 20.844 29.148 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.776 21.651 30.677 1.00 15.00 H new ATOM 0 HG2 LYS A 68 1.729 20.198 31.025 1.00 15.00 H new ATOM 0 HG3 LYS A 68 2.102 19.355 29.535 1.00 15.00 H new ATOM 0 HD2 LYS A 68 4.398 18.792 30.502 1.00 15.00 H new ATOM 0 HD3 LYS A 68 3.886 19.506 32.018 1.00 15.00 H new ATOM 0 HE2 LYS A 68 2.192 17.355 30.687 1.00 15.00 H new ATOM 0 HE3 LYS A 68 3.570 16.909 31.673 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 1.544 17.011 32.994 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 2.637 18.202 33.514 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 1.302 18.634 32.558 1.00 15.00 H new ATOM 500 N THR A 69 0.137 21.944 30.298 1.00 15.00 N ATOM 501 CA THR A 69 -0.909 22.376 31.223 1.00 15.00 C ATOM 502 C THR A 69 -0.367 22.537 32.642 1.00 15.00 C ATOM 503 O THR A 69 0.370 21.683 33.137 1.00 15.00 O ATOM 504 CB THR A 69 -2.053 21.359 31.224 1.00 15.00 C ATOM 505 OG1 THR A 69 -3.048 21.771 32.151 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.519 19.982 31.626 1.00 15.00 C ATOM 0 H THR A 69 -0.097 21.116 29.751 1.00 15.00 H new ATOM 0 HA THR A 69 -1.276 23.346 30.886 1.00 15.00 H new ATOM 0 HB THR A 69 -2.486 21.299 30.225 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.783 21.122 32.152 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.336 19.261 31.626 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.756 19.666 30.915 1.00 15.00 H new ATOM 0 HG23 THR A 69 -1.084 20.037 32.624 1.00 15.00 H new ATOM 514 N GLY A 70 -0.741 23.637 33.288 1.00 15.00 N ATOM 515 CA GLY A 70 -0.283 23.919 34.647 1.00 15.00 C ATOM 516 C GLY A 70 0.713 25.080 34.691 1.00 15.00 C ATOM 517 O GLY A 70 0.807 25.777 35.701 1.00 15.00 O ATOM 0 H GLY A 70 -1.359 24.347 32.895 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.141 24.154 35.276 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.183 23.026 35.064 1.00 15.00 H new ATOM 521 N GLU A 71 1.457 25.292 33.604 1.00 15.00 N ATOM 522 CA GLU A 71 2.427 26.381 33.549 1.00 15.00 C ATOM 523 C GLU A 71 1.942 27.474 32.603 1.00 15.00 C ATOM 524 O GLU A 71 1.289 27.190 31.598 1.00 15.00 O ATOM 525 CB GLU A 71 3.779 25.850 33.068 1.00 15.00 C ATOM 526 CG GLU A 71 4.847 26.936 33.250 1.00 15.00 C ATOM 527 CD GLU A 71 6.210 26.498 32.703 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.306 25.428 32.118 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.154 27.247 32.891 1.00 15.00 O ATOM 0 H GLU A 71 1.406 24.727 32.756 1.00 15.00 H new ATOM 0 HA GLU A 71 2.538 26.801 34.549 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.053 24.957 33.631 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.716 25.559 32.020 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.528 27.847 32.743 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.942 27.178 34.309 1.00 15.00 H new ATOM 536 N THR A 72 2.264 28.724 32.927 1.00 15.00 N ATOM 537 CA THR A 72 1.829 29.858 32.114 1.00 15.00 C ATOM 538 C THR A 72 3.025 30.550 31.465 1.00 15.00 C ATOM 539 O THR A 72 4.166 30.391 31.899 1.00 15.00 O ATOM 540 CB THR A 72 1.072 30.867 32.983 1.00 15.00 C ATOM 541 OG1 THR A 72 1.949 31.392 33.969 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.116 30.183 33.663 1.00 15.00 C ATOM 0 H THR A 72 2.822 28.977 33.743 1.00 15.00 H new ATOM 0 HA THR A 72 1.171 29.481 31.331 1.00 15.00 H new ATOM 0 HB THR A 72 0.703 31.677 32.354 1.00 15.00 H new ATOM 0 HG1 THR A 72 2.003 30.769 34.724 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.649 30.907 34.279 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.790 29.786 32.904 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.244 29.368 34.291 1.00 15.00 H new ATOM 550 N VAL A 73 2.752 31.341 30.432 1.00 15.00 N ATOM 551 CA VAL A 73 3.816 32.046 29.722 1.00 15.00 C ATOM 552 C VAL A 73 4.593 32.935 30.692 1.00 15.00 C ATOM 553 O VAL A 73 5.823 32.982 30.657 1.00 15.00 O ATOM 554 CB VAL A 73 3.216 32.893 28.592 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.328 33.597 27.808 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.429 31.991 27.638 1.00 15.00 C ATOM 0 H VAL A 73 1.813 31.510 30.070 1.00 15.00 H new ATOM 0 HA VAL A 73 4.501 31.316 29.291 1.00 15.00 H new ATOM 0 HB VAL A 73 2.555 33.641 29.029 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.888 34.194 27.009 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.891 34.246 28.479 1.00 15.00 H new ATOM 0 HG13 VAL A 73 4.997 32.852 27.377 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.003 32.594 26.836 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.096 31.241 27.213 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.627 31.496 28.185 1.00 15.00 H new ATOM 566 N ALA A 74 3.871 33.619 31.574 1.00 15.00 N ATOM 567 CA ALA A 74 4.513 34.501 32.543 1.00 15.00 C ATOM 568 C ALA A 74 5.479 33.717 33.428 1.00 15.00 C ATOM 569 O ALA A 74 6.569 34.195 33.739 1.00 15.00 O ATOM 570 CB ALA A 74 3.454 35.192 33.406 1.00 15.00 C ATOM 0 H ALA A 74 2.854 33.581 31.638 1.00 15.00 H new ATOM 0 HA ALA A 74 5.079 35.257 31.999 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.943 35.848 34.126 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.793 35.780 32.769 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.871 34.440 33.938 1.00 15.00 H new ATOM 576 N ASP A 75 5.090 32.504 33.812 1.00 15.00 N ATOM 577 CA ASP A 75 5.937 31.685 34.673 1.00 15.00 C ATOM 578 C ASP A 75 7.275 31.409 33.995 1.00 15.00 C ATOM 579 O ASP A 75 8.335 31.542 34.605 1.00 15.00 O ATOM 580 CB ASP A 75 5.239 30.359 34.989 1.00 15.00 C ATOM 581 CG ASP A 75 3.967 30.601 35.801 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.925 31.569 36.543 1.00 15.00 O ATOM 583 OD2 ASP A 75 3.048 29.809 35.666 1.00 15.00 O ATOM 0 H ASP A 75 4.206 32.071 33.545 1.00 15.00 H new ATOM 0 HA ASP A 75 6.115 32.229 35.601 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.992 29.842 34.062 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.915 29.710 35.546 1.00 15.00 H new ATOM 588 N LEU A 76 7.220 31.054 32.715 1.00 15.00 N ATOM 589 CA LEU A 76 8.438 30.784 31.959 1.00 15.00 C ATOM 590 C LEU A 76 9.345 32.010 31.953 1.00 15.00 C ATOM 591 O LEU A 76 10.551 31.908 32.170 1.00 15.00 O ATOM 592 CB LEU A 76 8.088 30.410 30.517 1.00 15.00 C ATOM 593 CG LEU A 76 7.445 29.023 30.484 1.00 15.00 C ATOM 594 CD1 LEU A 76 6.644 28.863 29.189 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.541 27.957 30.532 1.00 15.00 C ATOM 0 H LEU A 76 6.355 30.947 32.184 1.00 15.00 H new ATOM 0 HA LEU A 76 8.960 29.955 32.436 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.405 31.148 30.096 1.00 15.00 H new ATOM 0 HB3 LEU A 76 8.987 30.419 29.901 1.00 15.00 H new ATOM 0 HG LEU A 76 6.781 28.909 31.341 1.00 15.00 H new ATOM 0 HD11 LEU A 76 6.185 27.875 29.165 1.00 15.00 H new ATOM 0 HD12 LEU A 76 5.866 29.625 29.146 1.00 15.00 H new ATOM 0 HD13 LEU A 76 7.310 28.975 28.333 1.00 15.00 H new ATOM 0 HD21 LEU A 76 8.086 26.967 30.509 1.00 15.00 H new ATOM 0 HD22 LEU A 76 9.200 28.074 29.672 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.118 28.070 31.450 1.00 15.00 H new ATOM 607 N SER A 77 8.746 33.173 31.732 1.00 15.00 N ATOM 608 CA SER A 77 9.508 34.413 31.650 1.00 15.00 C ATOM 609 C SER A 77 10.266 34.681 32.946 1.00 15.00 C ATOM 610 O SER A 77 11.421 35.100 32.920 1.00 15.00 O ATOM 611 CB SER A 77 8.559 35.577 31.363 1.00 15.00 C ATOM 612 OG SER A 77 9.318 36.724 31.008 1.00 15.00 O ATOM 0 H SER A 77 7.740 33.284 31.607 1.00 15.00 H new ATOM 0 HA SER A 77 10.234 34.316 30.843 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.876 35.314 30.555 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.948 35.788 32.241 1.00 15.00 H new ATOM 0 HG SER A 77 10.112 36.781 31.580 1.00 15.00 H new ATOM 618 N LYS A 78 9.605 34.446 34.074 1.00 15.00 N ATOM 619 CA LYS A 78 10.216 34.705 35.374 1.00 15.00 C ATOM 620 C LYS A 78 11.441 33.824 35.591 1.00 15.00 C ATOM 621 O LYS A 78 12.493 34.301 36.014 1.00 15.00 O ATOM 622 CB LYS A 78 9.195 34.447 36.486 1.00 15.00 C ATOM 623 CG LYS A 78 9.783 34.870 37.834 1.00 15.00 C ATOM 624 CD LYS A 78 8.795 34.532 38.952 1.00 15.00 C ATOM 625 CE LYS A 78 9.313 35.093 40.277 1.00 15.00 C ATOM 626 NZ LYS A 78 8.200 35.133 41.268 1.00 15.00 N ATOM 0 H LYS A 78 8.654 34.080 34.116 1.00 15.00 H new ATOM 0 HA LYS A 78 10.534 35.747 35.399 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.279 35.003 36.288 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.928 33.390 36.510 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.731 34.359 38.005 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.993 35.940 37.831 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.815 34.952 38.725 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.669 33.452 39.026 1.00 15.00 H new ATOM 0 HE2 LYS A 78 10.127 34.474 40.653 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.717 36.094 40.127 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 8.551 35.514 42.169 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 7.437 35.741 40.909 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.834 34.171 41.418 1.00 15.00 H new ATOM 640 N SER A 79 11.299 32.536 35.296 1.00 15.00 N ATOM 641 CA SER A 79 12.390 31.590 35.510 1.00 15.00 C ATOM 642 C SER A 79 13.609 31.958 34.670 1.00 15.00 C ATOM 643 O SER A 79 14.741 31.920 35.149 1.00 15.00 O ATOM 644 CB SER A 79 11.930 30.177 35.149 1.00 15.00 C ATOM 645 OG SER A 79 12.934 29.247 35.533 1.00 15.00 O ATOM 0 H SER A 79 10.448 32.125 34.912 1.00 15.00 H new ATOM 0 HA SER A 79 12.671 31.629 36.562 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.992 29.947 35.654 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.741 30.105 34.078 1.00 15.00 H new ATOM 0 HG SER A 79 12.643 28.339 35.305 1.00 15.00 H new ATOM 651 N GLN A 80 13.366 32.315 33.414 1.00 15.00 N ATOM 652 CA GLN A 80 14.452 32.670 32.499 1.00 15.00 C ATOM 653 C GLN A 80 15.010 34.080 32.735 1.00 15.00 C ATOM 654 O GLN A 80 16.001 34.457 32.108 1.00 15.00 O ATOM 655 CB GLN A 80 13.955 32.561 31.056 1.00 15.00 C ATOM 656 CG GLN A 80 13.589 31.106 30.752 1.00 15.00 C ATOM 657 CD GLN A 80 13.006 30.979 29.346 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.582 31.970 28.749 1.00 15.00 O ATOM 659 NE2 GLN A 80 12.957 29.805 28.779 1.00 15.00 N ATOM 0 H GLN A 80 12.433 32.367 33.005 1.00 15.00 H new ATOM 0 HA GLN A 80 15.266 31.970 32.689 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.087 33.204 30.909 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.727 32.905 30.367 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.474 30.477 30.842 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.866 30.747 31.485 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.308 28.985 29.273 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.568 29.707 27.841 1.00 15.00 H new ATOM 668 N ASP A 81 14.394 34.860 33.623 1.00 15.00 N ATOM 669 CA ASP A 81 14.847 36.225 33.877 1.00 15.00 C ATOM 670 C ASP A 81 14.782 37.056 32.594 1.00 15.00 C ATOM 671 O ASP A 81 15.683 37.839 32.292 1.00 15.00 O ATOM 672 CB ASP A 81 16.280 36.203 34.420 1.00 15.00 C ATOM 673 CG ASP A 81 16.682 37.587 34.923 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.815 38.313 35.381 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.861 37.899 34.849 1.00 15.00 O ATOM 0 H ASP A 81 13.586 34.572 34.174 1.00 15.00 H new ATOM 0 HA ASP A 81 14.191 36.682 34.618 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.357 35.478 35.231 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.967 35.880 33.638 1.00 15.00 H new ATOM 680 N ILE A 82 13.696 36.881 31.846 1.00 15.00 N ATOM 681 CA ILE A 82 13.491 37.613 30.599 1.00 15.00 C ATOM 682 C ILE A 82 12.253 38.497 30.719 1.00 15.00 C ATOM 683 O ILE A 82 11.314 38.165 31.442 1.00 15.00 O ATOM 684 CB ILE A 82 13.324 36.632 29.432 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.548 35.715 29.350 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.189 37.404 28.116 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.305 34.623 28.305 1.00 15.00 C ATOM 0 H ILE A 82 12.942 36.236 32.083 1.00 15.00 H new ATOM 0 HA ILE A 82 14.362 38.240 30.407 1.00 15.00 H new ATOM 0 HB ILE A 82 12.427 36.036 29.598 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.432 36.295 29.085 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.742 35.264 30.323 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.071 36.700 27.292 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.317 38.056 28.164 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.083 38.006 27.954 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.178 33.972 28.249 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.432 34.036 28.589 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.132 35.083 27.332 1.00 15.00 H new ATOM 699 N ASN A 83 12.261 39.628 30.022 1.00 15.00 N ATOM 700 CA ASN A 83 11.126 40.544 30.065 1.00 15.00 C ATOM 701 C ASN A 83 10.045 40.106 29.080 1.00 15.00 C ATOM 702 O ASN A 83 10.339 39.705 27.954 1.00 15.00 O ATOM 703 CB ASN A 83 11.587 41.964 29.724 1.00 15.00 C ATOM 704 CG ASN A 83 12.564 42.472 30.780 1.00 15.00 C ATOM 705 OD1 ASN A 83 12.575 41.983 31.911 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.392 43.434 30.477 1.00 15.00 N ATOM 0 H ASN A 83 13.032 39.931 29.426 1.00 15.00 H new ATOM 0 HA ASN A 83 10.710 40.530 31.072 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.063 41.973 28.744 1.00 15.00 H new ATOM 0 HB3 ASN A 83 10.725 42.629 29.666 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.048 43.781 31.176 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.383 43.839 29.541 1.00 15.00 H new ATOM 713 N LEU A 84 8.789 40.198 29.505 1.00 15.00 N ATOM 714 CA LEU A 84 7.676 39.789 28.653 1.00 15.00 C ATOM 715 C LEU A 84 7.701 40.546 27.327 1.00 15.00 C ATOM 716 O LEU A 84 7.419 39.972 26.275 1.00 15.00 O ATOM 717 CB LEU A 84 6.344 40.042 29.364 1.00 15.00 C ATOM 718 CG LEU A 84 6.295 39.264 30.684 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.002 39.607 31.428 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.323 37.761 30.399 1.00 15.00 C ATOM 0 H LEU A 84 8.517 40.548 30.424 1.00 15.00 H new ATOM 0 HA LEU A 84 7.780 38.723 28.450 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.222 41.108 29.556 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.517 39.738 28.723 1.00 15.00 H new ATOM 0 HG LEU A 84 7.157 39.536 31.293 1.00 15.00 H new ATOM 0 HD11 LEU A 84 4.965 39.055 32.367 1.00 15.00 H new ATOM 0 HD12 LEU A 84 4.974 40.677 31.635 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.145 39.334 30.813 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.288 37.212 31.340 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.462 37.490 29.788 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.239 37.509 29.865 1.00 15.00 H new ATOM 732 N SER A 85 8.061 41.825 27.374 1.00 15.00 N ATOM 733 CA SER A 85 8.112 42.634 26.161 1.00 15.00 C ATOM 734 C SER A 85 9.088 42.025 25.159 1.00 15.00 C ATOM 735 O SER A 85 8.789 41.919 23.970 1.00 15.00 O ATOM 736 CB SER A 85 8.546 44.059 26.501 1.00 15.00 C ATOM 737 OG SER A 85 8.402 44.879 25.348 1.00 15.00 O ATOM 0 H SER A 85 8.319 42.319 28.228 1.00 15.00 H new ATOM 0 HA SER A 85 7.117 42.658 25.716 1.00 15.00 H new ATOM 0 HB2 SER A 85 7.941 44.451 27.319 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.582 44.065 26.840 1.00 15.00 H new ATOM 0 HG SER A 85 8.678 45.795 25.561 1.00 15.00 H new ATOM 743 N THR A 86 10.246 41.600 25.651 1.00 15.00 N ATOM 744 CA THR A 86 11.263 41.016 24.781 1.00 15.00 C ATOM 745 C THR A 86 10.735 39.752 24.107 1.00 15.00 C ATOM 746 O THR A 86 10.898 39.559 22.901 1.00 15.00 O ATOM 747 CB THR A 86 12.512 40.678 25.599 1.00 15.00 C ATOM 748 OG1 THR A 86 12.936 41.832 26.308 1.00 15.00 O ATOM 749 CG2 THR A 86 13.628 40.214 24.662 1.00 15.00 C ATOM 0 H THR A 86 10.504 41.647 26.637 1.00 15.00 H new ATOM 0 HA THR A 86 11.517 41.743 24.009 1.00 15.00 H new ATOM 0 HB THR A 86 12.280 39.881 26.305 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.735 41.618 26.834 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.517 39.974 25.246 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.301 39.328 24.117 1.00 15.00 H new ATOM 0 HG23 THR A 86 13.863 41.009 23.954 1.00 15.00 H new ATOM 757 N ILE A 87 10.069 38.907 24.885 1.00 15.00 N ATOM 758 CA ILE A 87 9.558 37.643 24.363 1.00 15.00 C ATOM 759 C ILE A 87 8.616 37.906 23.190 1.00 15.00 C ATOM 760 O ILE A 87 8.710 37.262 22.148 1.00 15.00 O ATOM 761 CB ILE A 87 8.823 36.875 25.469 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.773 36.638 26.647 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.345 35.519 24.939 1.00 15.00 C ATOM 764 CD1 ILE A 87 8.999 36.033 27.819 1.00 15.00 C ATOM 0 H ILE A 87 9.871 39.071 25.872 1.00 15.00 H new ATOM 0 HA ILE A 87 10.396 37.039 24.014 1.00 15.00 H new ATOM 0 HB ILE A 87 7.964 37.463 25.794 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.580 35.969 26.347 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.234 37.578 26.950 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.824 34.982 25.732 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.667 35.675 24.100 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.203 34.935 24.608 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.678 35.866 28.655 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.208 36.718 28.125 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.559 35.084 27.513 1.00 15.00 H new ATOM 776 N TRP A 88 7.719 38.868 23.366 1.00 15.00 N ATOM 777 CA TRP A 88 6.769 39.211 22.314 1.00 15.00 C ATOM 778 C TRP A 88 7.487 39.661 21.043 1.00 15.00 C ATOM 779 O TRP A 88 7.179 39.190 19.951 1.00 15.00 O ATOM 780 CB TRP A 88 5.833 40.322 22.789 1.00 15.00 C ATOM 781 CG TRP A 88 4.787 40.685 21.783 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.778 39.876 21.383 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.632 41.930 21.039 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.013 40.545 20.446 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.498 41.813 20.199 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.355 43.135 21.013 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.098 42.859 19.362 1.00 15.00 C ATOM 788 CZ3 TRP A 88 4.956 44.186 20.175 1.00 15.00 C ATOM 789 CH2 TRP A 88 3.831 44.050 19.351 1.00 15.00 C ATOM 0 H TRP A 88 7.629 39.420 24.219 1.00 15.00 H new ATOM 0 HA TRP A 88 6.190 38.316 22.086 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.346 40.007 23.712 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.422 41.208 23.026 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.600 38.872 21.738 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.190 40.149 19.992 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.224 43.252 21.643 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.230 42.748 18.729 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 5.520 45.107 20.165 1.00 15.00 H new ATOM 0 HH2 TRP A 88 3.530 44.864 18.708 1.00 15.00 H new ATOM 800 N SER A 89 8.470 40.545 21.188 1.00 15.00 N ATOM 801 CA SER A 89 9.157 41.101 20.026 1.00 15.00 C ATOM 802 C SER A 89 9.714 39.999 19.127 1.00 15.00 C ATOM 803 O SER A 89 9.655 40.103 17.901 1.00 15.00 O ATOM 804 CB SER A 89 10.299 42.010 20.482 1.00 15.00 C ATOM 805 OG SER A 89 11.320 41.216 21.073 1.00 15.00 O ATOM 0 H SER A 89 8.806 40.889 22.088 1.00 15.00 H new ATOM 0 HA SER A 89 8.430 41.677 19.453 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.699 42.565 19.634 1.00 15.00 H new ATOM 0 HB3 SER A 89 9.932 42.744 21.199 1.00 15.00 H new ATOM 0 HG SER A 89 11.017 40.891 21.947 1.00 15.00 H new ATOM 811 N LEU A 90 10.252 38.947 19.736 1.00 15.00 N ATOM 812 CA LEU A 90 10.789 37.828 18.965 1.00 15.00 C ATOM 813 C LEU A 90 9.676 36.989 18.338 1.00 15.00 C ATOM 814 O LEU A 90 9.669 36.751 17.130 1.00 15.00 O ATOM 815 CB LEU A 90 11.642 36.937 19.871 1.00 15.00 C ATOM 816 CG LEU A 90 12.780 37.756 20.486 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.548 36.889 21.486 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.736 38.215 19.382 1.00 15.00 C ATOM 0 H LEU A 90 10.328 38.845 20.748 1.00 15.00 H new ATOM 0 HA LEU A 90 11.399 38.242 18.162 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.024 36.508 20.660 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.050 36.105 19.297 1.00 15.00 H new ATOM 0 HG LEU A 90 12.364 38.626 20.995 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.359 37.471 21.925 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.872 36.557 22.274 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.961 36.021 20.973 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.546 38.798 19.821 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.150 37.344 18.874 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.194 38.830 18.664 1.00 15.00 H new ATOM 830 N ASN A 91 8.718 36.564 19.156 1.00 15.00 N ATOM 831 CA ASN A 91 7.666 35.658 18.689 1.00 15.00 C ATOM 832 C ASN A 91 6.470 36.380 18.056 1.00 15.00 C ATOM 833 O ASN A 91 5.456 35.748 17.765 1.00 15.00 O ATOM 834 CB ASN A 91 7.176 34.799 19.856 1.00 15.00 C ATOM 835 CG ASN A 91 8.298 33.885 20.334 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.202 32.664 20.215 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.368 34.404 20.872 1.00 15.00 N ATOM 0 H ASN A 91 8.645 36.828 20.139 1.00 15.00 H new ATOM 0 HA ASN A 91 8.112 35.042 17.908 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.842 35.438 20.674 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.317 34.204 19.545 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.123 33.798 21.193 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.449 35.416 20.971 1.00 15.00 H new ATOM 844 N LYS A 92 6.570 37.691 17.845 1.00 15.00 N ATOM 845 CA LYS A 92 5.496 38.440 17.192 1.00 15.00 C ATOM 846 C LYS A 92 5.055 37.793 15.878 1.00 15.00 C ATOM 847 O LYS A 92 3.915 37.978 15.451 1.00 15.00 O ATOM 848 CB LYS A 92 5.943 39.889 16.959 1.00 15.00 C ATOM 849 CG LYS A 92 7.201 39.948 16.079 1.00 15.00 C ATOM 850 CD LYS A 92 6.830 40.127 14.601 1.00 15.00 C ATOM 851 CE LYS A 92 8.107 40.297 13.775 1.00 15.00 C ATOM 852 NZ LYS A 92 7.747 40.562 12.354 1.00 15.00 N ATOM 0 H LYS A 92 7.377 38.254 18.114 1.00 15.00 H new ATOM 0 HA LYS A 92 4.631 38.429 17.855 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.137 40.449 16.484 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.143 40.369 17.917 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.836 40.773 16.401 1.00 15.00 H new ATOM 0 HG3 LYS A 92 7.780 39.033 16.204 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.268 39.262 14.248 1.00 15.00 H new ATOM 0 HD3 LYS A 92 6.186 40.998 14.479 1.00 15.00 H new ATOM 0 HE2 LYS A 92 8.702 41.120 14.170 1.00 15.00 H new ATOM 0 HE3 LYS A 92 8.720 39.399 13.845 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 8.614 40.678 11.792 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 7.196 39.763 11.981 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 7.179 41.431 12.296 1.00 15.00 H new ATOM 866 N HIS A 93 5.953 37.055 15.225 1.00 15.00 N ATOM 867 CA HIS A 93 5.609 36.390 13.973 1.00 15.00 C ATOM 868 C HIS A 93 4.752 35.148 14.223 1.00 15.00 C ATOM 869 O HIS A 93 3.848 34.845 13.445 1.00 15.00 O ATOM 870 CB HIS A 93 6.881 36.024 13.199 1.00 15.00 C ATOM 871 CG HIS A 93 7.683 34.895 13.795 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.623 35.092 14.797 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.713 33.551 13.515 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.174 33.898 15.075 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.656 32.923 14.323 1.00 15.00 N ATOM 0 H HIS A 93 6.912 36.905 15.539 1.00 15.00 H new ATOM 0 HA HIS A 93 5.021 37.083 13.371 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.604 35.755 12.180 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.516 36.907 13.134 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.854 35.981 15.241 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.097 33.056 12.779 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.943 33.745 15.817 1.00 15.00 H new ATOM 883 N LEU A 94 5.037 34.431 15.308 1.00 15.00 N ATOM 884 CA LEU A 94 4.285 33.222 15.633 1.00 15.00 C ATOM 885 C LEU A 94 2.853 33.555 16.047 1.00 15.00 C ATOM 886 O LEU A 94 1.908 32.879 15.641 1.00 15.00 O ATOM 887 CB LEU A 94 4.972 32.466 16.773 1.00 15.00 C ATOM 888 CG LEU A 94 6.407 32.113 16.378 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.114 31.455 17.564 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.393 31.136 15.198 1.00 15.00 C ATOM 0 H LEU A 94 5.776 34.664 15.971 1.00 15.00 H new ATOM 0 HA LEU A 94 4.255 32.600 14.739 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.975 33.077 17.676 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.416 31.557 17.005 1.00 15.00 H new ATOM 0 HG LEU A 94 6.934 33.023 16.092 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.137 31.203 17.284 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.129 32.145 18.408 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.581 30.547 17.847 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.417 30.887 14.920 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.864 30.227 15.484 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.888 31.598 14.349 1.00 15.00 H new ATOM 902 N TYR A 95 2.699 34.600 16.858 1.00 15.00 N ATOM 903 CA TYR A 95 1.383 34.989 17.362 1.00 15.00 C ATOM 904 C TYR A 95 1.007 36.385 16.876 1.00 15.00 C ATOM 905 O TYR A 95 1.865 37.248 16.702 1.00 15.00 O ATOM 906 CB TYR A 95 1.390 34.958 18.891 1.00 15.00 C ATOM 907 CG TYR A 95 1.718 33.596 19.456 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.721 32.615 19.536 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.017 33.313 19.897 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.023 31.352 20.057 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.318 32.048 20.417 1.00 15.00 C ATOM 912 CZ TYR A 95 2.321 31.068 20.497 1.00 15.00 C ATOM 913 OH TYR A 95 2.614 29.821 21.012 1.00 15.00 O ATOM 0 H TYR A 95 3.466 35.191 17.179 1.00 15.00 H new ATOM 0 HA TYR A 95 0.644 34.283 16.984 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.117 35.682 19.260 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.413 35.271 19.259 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.280 32.834 19.196 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.785 34.069 19.836 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.254 30.596 20.120 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.319 31.828 20.756 1.00 15.00 H new ATOM 0 HH TYR A 95 3.519 29.559 20.741 1.00 15.00 H new ATOM 923 N SER A 96 -0.289 36.600 16.672 1.00 15.00 N ATOM 924 CA SER A 96 -0.774 37.865 16.131 1.00 15.00 C ATOM 925 C SER A 96 -0.598 39.009 17.126 1.00 15.00 C ATOM 926 O SER A 96 -0.208 40.113 16.746 1.00 15.00 O ATOM 927 CB SER A 96 -2.252 37.736 15.763 1.00 15.00 C ATOM 928 OG SER A 96 -2.420 36.637 14.878 1.00 15.00 O ATOM 0 H SER A 96 -1.020 35.917 16.872 1.00 15.00 H new ATOM 0 HA SER A 96 -0.185 38.094 15.243 1.00 15.00 H new ATOM 0 HB2 SER A 96 -2.851 37.589 16.662 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.603 38.654 15.292 1.00 15.00 H new ATOM 0 HG SER A 96 -3.367 36.550 14.641 1.00 15.00 H new ATOM 934 N SER A 97 -0.883 38.742 18.398 1.00 15.00 N ATOM 935 CA SER A 97 -0.831 39.790 19.412 1.00 15.00 C ATOM 936 C SER A 97 -0.514 39.217 20.790 1.00 15.00 C ATOM 937 O SER A 97 -0.515 38.001 20.986 1.00 15.00 O ATOM 938 CB SER A 97 -2.169 40.529 19.463 1.00 15.00 C ATOM 939 OG SER A 97 -3.156 39.667 20.012 1.00 15.00 O ATOM 0 H SER A 97 -1.149 37.821 18.748 1.00 15.00 H new ATOM 0 HA SER A 97 -0.035 40.482 19.138 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.078 41.430 20.069 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.462 40.846 18.462 1.00 15.00 H new ATOM 0 HG SER A 97 -4.016 40.136 20.049 1.00 15.00 H new ATOM 945 N GLU A 98 -0.243 40.108 21.738 1.00 15.00 N ATOM 946 CA GLU A 98 0.076 39.698 23.102 1.00 15.00 C ATOM 947 C GLU A 98 -1.081 38.933 23.742 1.00 15.00 C ATOM 948 O GLU A 98 -0.864 38.008 24.523 1.00 15.00 O ATOM 949 CB GLU A 98 0.394 40.930 23.953 1.00 15.00 C ATOM 950 CG GLU A 98 1.652 41.620 23.414 1.00 15.00 C ATOM 951 CD GLU A 98 2.059 42.818 24.279 1.00 15.00 C ATOM 952 OE1 GLU A 98 1.290 43.223 25.140 1.00 15.00 O ATOM 953 OE2 GLU A 98 3.149 43.321 24.063 1.00 15.00 O ATOM 0 H GLU A 98 -0.238 41.117 21.588 1.00 15.00 H new ATOM 0 HA GLU A 98 0.942 39.038 23.056 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.448 41.622 23.936 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.545 40.637 24.992 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.472 40.903 23.377 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.474 41.954 22.392 1.00 15.00 H new ATOM 960 N SER A 99 -2.313 39.314 23.409 1.00 15.00 N ATOM 961 CA SER A 99 -3.484 38.681 24.011 1.00 15.00 C ATOM 962 C SER A 99 -3.456 37.170 23.794 1.00 15.00 C ATOM 963 O SER A 99 -3.698 36.394 24.719 1.00 15.00 O ATOM 964 CB SER A 99 -4.760 39.261 23.401 1.00 15.00 C ATOM 965 OG SER A 99 -5.884 38.783 24.127 1.00 15.00 O ATOM 0 H SER A 99 -2.525 40.049 22.734 1.00 15.00 H new ATOM 0 HA SER A 99 -3.467 38.880 25.083 1.00 15.00 H new ATOM 0 HB2 SER A 99 -4.729 40.350 23.431 1.00 15.00 H new ATOM 0 HB3 SER A 99 -4.840 38.973 22.353 1.00 15.00 H new ATOM 0 HG SER A 99 -6.705 39.154 23.740 1.00 15.00 H new ATOM 971 N GLU A 100 -3.121 36.755 22.577 1.00 15.00 N ATOM 972 CA GLU A 100 -3.063 35.332 22.260 1.00 15.00 C ATOM 973 C GLU A 100 -2.017 34.616 23.112 1.00 15.00 C ATOM 974 O GLU A 100 -2.209 33.459 23.490 1.00 15.00 O ATOM 975 CB GLU A 100 -2.758 35.141 20.773 1.00 15.00 C ATOM 976 CG GLU A 100 -3.936 35.675 19.949 1.00 15.00 C ATOM 977 CD GLU A 100 -3.730 35.448 18.449 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.616 35.164 18.037 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.699 35.594 17.720 1.00 15.00 O ATOM 0 H GLU A 100 -2.888 37.375 21.802 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.035 34.893 22.486 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.842 35.668 20.506 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.594 34.086 20.555 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.855 35.184 20.268 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.061 36.741 20.142 1.00 15.00 H new ATOM 986 N MET A 101 -0.914 35.296 23.415 1.00 15.00 N ATOM 987 CA MET A 101 0.126 34.707 24.251 1.00 15.00 C ATOM 988 C MET A 101 -0.399 34.441 25.660 1.00 15.00 C ATOM 989 O MET A 101 -0.239 33.347 26.197 1.00 15.00 O ATOM 990 CB MET A 101 1.331 35.647 24.327 1.00 15.00 C ATOM 991 CG MET A 101 1.950 35.801 22.937 1.00 15.00 C ATOM 992 SD MET A 101 3.493 36.739 23.063 1.00 15.00 S ATOM 993 CE MET A 101 4.493 35.445 23.837 1.00 15.00 C ATOM 0 H MET A 101 -0.719 36.246 23.098 1.00 15.00 H new ATOM 0 HA MET A 101 0.428 33.760 23.803 1.00 15.00 H new ATOM 0 HB2 MET A 101 1.022 36.620 24.709 1.00 15.00 H new ATOM 0 HB3 MET A 101 2.070 35.251 25.024 1.00 15.00 H new ATOM 0 HG2 MET A 101 2.143 34.820 22.503 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.254 36.313 22.272 1.00 15.00 H new ATOM 0 HE1 MET A 101 4.736 35.736 24.859 1.00 15.00 H new ATOM 0 HE2 MET A 101 3.932 34.510 23.849 1.00 15.00 H new ATOM 0 HE3 MET A 101 5.414 35.309 23.270 1.00 15.00 H new ATOM 1003 N MET A 102 -1.080 35.428 26.233 1.00 15.00 N ATOM 1004 CA MET A 102 -1.608 35.296 27.588 1.00 15.00 C ATOM 1005 C MET A 102 -2.585 34.126 27.692 1.00 15.00 C ATOM 1006 O MET A 102 -2.620 33.424 28.703 1.00 15.00 O ATOM 1007 CB MET A 102 -2.318 36.589 27.997 1.00 15.00 C ATOM 1008 CG MET A 102 -1.298 37.724 28.093 1.00 15.00 C ATOM 1009 SD MET A 102 -2.119 39.223 28.687 1.00 15.00 S ATOM 1010 CE MET A 102 -0.696 40.334 28.547 1.00 15.00 C ATOM 0 H MET A 102 -1.279 36.322 25.785 1.00 15.00 H new ATOM 0 HA MET A 102 -0.770 35.105 28.258 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.089 36.839 27.268 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.818 36.454 28.956 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.491 37.446 28.771 1.00 15.00 H new ATOM 0 HG3 MET A 102 -0.847 37.906 27.117 1.00 15.00 H new ATOM 0 HE1 MET A 102 -0.983 41.335 28.869 1.00 15.00 H new ATOM 0 HE2 MET A 102 0.115 39.968 29.177 1.00 15.00 H new ATOM 0 HE3 MET A 102 -0.362 40.368 27.510 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.376 33.923 26.644 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.371 32.848 26.636 1.00 15.00 C ATOM 1022 C LYS A 103 -3.818 31.539 26.056 1.00 15.00 C ATOM 1023 O LYS A 103 -4.591 30.646 25.711 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.591 33.274 25.812 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.169 34.588 26.348 1.00 15.00 C ATOM 1026 CD LYS A 103 -6.681 34.390 27.777 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.436 35.643 28.225 1.00 15.00 C ATOM 1028 NZ LYS A 103 -7.962 35.439 29.604 1.00 15.00 N ATOM 0 H LYS A 103 -3.351 34.483 25.792 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.649 32.667 27.674 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.307 33.395 24.767 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.352 32.494 25.848 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -5.405 35.365 26.331 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -6.982 34.926 25.705 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.337 33.521 27.823 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -5.846 34.195 28.450 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -6.773 36.508 28.201 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -8.256 35.851 27.538 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -8.475 36.290 29.909 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -8.608 34.624 29.612 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -7.171 35.260 30.255 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.494 31.412 25.945 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.888 30.205 25.393 1.00 15.00 C ATOM 1044 C ALA A 104 -2.371 28.959 26.129 1.00 15.00 C ATOM 1045 O ALA A 104 -2.625 28.992 27.334 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.364 30.297 25.494 1.00 15.00 C ATOM 0 H ALA A 104 -1.826 32.128 26.229 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.186 30.125 24.348 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.083 29.393 25.080 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.014 31.164 24.934 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.074 30.399 26.540 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.494 27.862 25.389 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.953 26.598 25.956 1.00 15.00 C ATOM 1054 C ALA A 105 -1.935 25.485 25.683 1.00 15.00 C ATOM 1055 O ALA A 105 -1.042 25.666 24.854 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.303 26.216 25.346 1.00 15.00 C ATOM 0 H ALA A 105 -2.282 27.823 24.392 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.060 26.720 27.034 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.641 25.272 25.773 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.034 26.995 25.564 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.197 26.109 24.266 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.040 24.351 26.345 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.068 23.234 26.139 1.00 15.00 C ATOM 1064 C PRO A 106 -0.987 22.793 24.679 1.00 15.00 C ATOM 1065 O PRO A 106 -1.982 22.825 23.954 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.591 22.095 27.020 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.468 22.747 28.033 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.057 23.978 27.352 1.00 15.00 C ATOM 0 HA PRO A 106 -0.056 23.541 26.401 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.147 21.366 26.430 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.770 21.559 27.498 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.256 22.069 28.361 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.899 23.027 28.919 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.017 23.755 26.886 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.228 24.785 28.065 1.00 15.00 H new ATOM 1076 N GLY A 107 0.205 22.381 24.256 1.00 15.00 N ATOM 1077 CA GLY A 107 0.402 21.893 22.892 1.00 15.00 C ATOM 1078 C GLY A 107 1.095 22.912 21.981 1.00 15.00 C ATOM 1079 O GLY A 107 1.608 22.537 20.926 1.00 15.00 O ATOM 0 H GLY A 107 1.046 22.375 24.834 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.996 20.979 22.922 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.565 21.631 22.463 1.00 15.00 H new ATOM 1083 N GLN A 108 1.118 24.186 22.373 1.00 15.00 N ATOM 1084 CA GLN A 108 1.746 25.214 21.547 1.00 15.00 C ATOM 1085 C GLN A 108 3.237 25.313 21.847 1.00 15.00 C ATOM 1086 O GLN A 108 3.691 24.917 22.919 1.00 15.00 O ATOM 1087 CB GLN A 108 1.068 26.567 21.770 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.370 26.499 21.252 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.046 27.855 21.400 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.544 28.184 22.475 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.095 28.667 20.378 1.00 15.00 N ATOM 0 H GLN A 108 0.715 24.527 23.246 1.00 15.00 H new ATOM 0 HA GLN A 108 1.625 24.931 20.501 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.074 26.820 22.830 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.617 27.353 21.252 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.373 26.195 20.205 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.928 25.744 21.805 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.681 28.391 19.487 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.547 29.577 20.471 1.00 15.00 H new ATOM 1100 N GLN A 109 4.000 25.831 20.886 1.00 15.00 N ATOM 1101 CA GLN A 109 5.450 25.932 21.036 1.00 15.00 C ATOM 1102 C GLN A 109 5.897 27.389 21.111 1.00 15.00 C ATOM 1103 O GLN A 109 5.242 28.285 20.577 1.00 15.00 O ATOM 1104 CB GLN A 109 6.139 25.251 19.851 1.00 15.00 C ATOM 1105 CG GLN A 109 5.818 23.754 19.864 1.00 15.00 C ATOM 1106 CD GLN A 109 6.425 23.066 18.643 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.771 23.719 17.657 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.576 21.769 18.650 1.00 15.00 N ATOM 0 H GLN A 109 3.640 26.185 20.000 1.00 15.00 H new ATOM 0 HA GLN A 109 5.730 25.437 21.966 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.802 25.698 18.915 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.217 25.403 19.907 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.208 23.300 20.775 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.738 23.608 19.872 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.290 21.227 19.465 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.980 21.298 17.840 1.00 15.00 H new ATOM 1117 N ILE A 110 6.995 27.612 21.824 1.00 15.00 N ATOM 1118 CA ILE A 110 7.614 28.930 21.914 1.00 15.00 C ATOM 1119 C ILE A 110 9.068 28.840 21.454 1.00 15.00 C ATOM 1120 O ILE A 110 9.771 27.891 21.798 1.00 15.00 O ATOM 1121 CB ILE A 110 7.540 29.441 23.358 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.072 29.522 23.787 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.177 30.830 23.463 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.980 29.796 25.290 1.00 15.00 C ATOM 0 H ILE A 110 7.480 26.888 22.354 1.00 15.00 H new ATOM 0 HA ILE A 110 7.081 29.630 21.270 1.00 15.00 H new ATOM 0 HB ILE A 110 8.082 28.754 24.008 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.566 30.313 23.233 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.563 28.589 23.547 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.118 31.181 24.493 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.222 30.775 23.158 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.645 31.524 22.812 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.933 29.852 25.586 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.469 28.990 25.837 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.473 30.741 25.518 1.00 15.00 H new ATOM 1136 N ILE A 111 9.516 29.832 20.689 1.00 15.00 N ATOM 1137 CA ILE A 111 10.885 29.834 20.177 1.00 15.00 C ATOM 1138 C ILE A 111 11.727 30.870 20.920 1.00 15.00 C ATOM 1139 O ILE A 111 11.318 32.019 21.082 1.00 15.00 O ATOM 1140 CB ILE A 111 10.889 30.146 18.673 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.000 29.140 17.933 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.317 30.043 18.126 1.00 15.00 C ATOM 1143 CD1 ILE A 111 9.869 29.552 16.465 1.00 15.00 C ATOM 0 H ILE A 111 8.957 30.639 20.411 1.00 15.00 H new ATOM 0 HA ILE A 111 11.315 28.845 20.337 1.00 15.00 H new ATOM 0 HB ILE A 111 10.508 31.156 18.521 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.428 28.140 18.004 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.015 29.098 18.399 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.315 30.265 17.059 1.00 15.00 H new ATOM 0 HG22 ILE A 111 12.957 30.757 18.644 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.696 29.034 18.286 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.237 28.835 15.941 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.421 30.544 16.404 1.00 15.00 H new ATOM 0 HD13 ILE A 111 10.856 29.571 16.003 1.00 15.00 H new ATOM 1155 N LEU A 112 12.900 30.443 21.376 1.00 15.00 N ATOM 1156 CA LEU A 112 13.837 31.336 22.050 1.00 15.00 C ATOM 1157 C LEU A 112 15.148 31.417 21.262 1.00 15.00 C ATOM 1158 O LEU A 112 15.980 30.514 21.379 1.00 15.00 O ATOM 1159 CB LEU A 112 14.129 30.804 23.454 1.00 15.00 C ATOM 1160 CG LEU A 112 12.840 30.801 24.278 1.00 15.00 C ATOM 1161 CD1 LEU A 112 12.980 29.821 25.444 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.582 32.207 24.822 1.00 15.00 C ATOM 0 H LEU A 112 13.226 29.480 21.291 1.00 15.00 H new ATOM 0 HA LEU A 112 13.394 32.330 22.114 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.537 29.795 23.394 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.882 31.424 23.940 1.00 15.00 H new ATOM 0 HG LEU A 112 12.006 30.495 23.647 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.061 29.820 26.030 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.165 28.819 25.057 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.814 30.125 26.077 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.664 32.207 25.409 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.417 32.512 25.453 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.481 32.906 23.991 1.00 15.00 H new ATOM 1174 N PRO A 113 15.337 32.413 20.422 1.00 15.00 N ATOM 1175 CA PRO A 113 16.621 32.577 19.682 1.00 15.00 C ATOM 1176 C PRO A 113 17.644 33.385 20.474 1.00 15.00 C ATOM 1177 O PRO A 113 18.218 34.351 19.970 1.00 15.00 O ATOM 1178 CB PRO A 113 16.197 33.312 18.410 1.00 15.00 C ATOM 1179 CG PRO A 113 15.027 34.146 18.813 1.00 15.00 C ATOM 1180 CD PRO A 113 14.383 33.469 20.027 1.00 15.00 C ATOM 0 HA PRO A 113 17.115 31.625 19.488 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.007 33.930 18.024 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.927 32.610 17.621 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.344 35.159 19.061 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.312 34.227 17.994 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.223 34.180 20.837 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.410 33.048 19.775 1.00 15.00 H new