USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=19 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 -177:sc= 0.241 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 -90:sc= -0.691! USER MOD Single : A 77 SER OG : rot -62:sc= 0.086 USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= -0.0283 (180deg=-0.296) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.1!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 89 SER OG : rot -72:sc= 1.22 USER MOD Single : A 91 ASN : amide:sc= -2.74! C(o=-2.7!,f=-6.4!) USER MOD Single : A 92 LYS NZ :NH3+ -126:sc= 0.409 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.18 K(o=-2.2,f=-4.8!) USER MOD Single : A 95 TYR OH : rot 133:sc= 0.213 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 140:sc= -0.15 (180deg=-0.962) USER MOD Single : A 102 MET CE :methyl -143:sc= -0.203 (180deg=-1.23) USER MOD Single : A 103 LYS NZ :NH3+ -168:sc=-0.00421 (180deg=-0.223) USER MOD Single : A 108 GLN : amide:sc= 0.153 K(o=0.15,f=-2.8!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.549 27.351 20.453 1.00 15.00 N ATOM 386 CA LEU A 63 16.064 26.556 21.578 1.00 15.00 C ATOM 387 C LEU A 63 14.542 26.466 21.545 1.00 15.00 C ATOM 388 O LEU A 63 13.854 27.485 21.553 1.00 15.00 O ATOM 389 CB LEU A 63 16.511 27.191 22.896 1.00 15.00 C ATOM 390 CG LEU A 63 16.133 26.276 24.063 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.031 25.037 24.053 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.323 27.031 25.381 1.00 15.00 C ATOM 0 HA LEU A 63 16.481 25.552 21.500 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.588 27.356 22.885 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.041 28.167 23.019 1.00 15.00 H new ATOM 0 HG LEU A 63 15.092 25.970 23.963 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.761 24.386 24.884 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.899 24.500 23.114 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.073 25.342 24.154 1.00 15.00 H new ATOM 0 HD21 LEU A 63 16.054 26.382 26.214 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.365 27.335 25.479 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.685 27.915 25.389 1.00 15.00 H new ATOM 404 N PHE A 64 14.024 25.244 21.478 1.00 15.00 N ATOM 405 CA PHE A 64 12.581 25.035 21.472 1.00 15.00 C ATOM 406 C PHE A 64 12.069 24.720 22.875 1.00 15.00 C ATOM 407 O PHE A 64 12.611 23.852 23.559 1.00 15.00 O ATOM 408 CB PHE A 64 12.225 23.886 20.528 1.00 15.00 C ATOM 409 CG PHE A 64 12.561 24.171 19.083 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.656 24.876 18.280 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.778 23.732 18.547 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.968 25.141 16.941 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.090 23.997 17.208 1.00 15.00 C ATOM 414 CZ PHE A 64 13.185 24.701 16.405 1.00 15.00 C ATOM 0 H PHE A 64 14.578 24.389 21.427 1.00 15.00 H new ATOM 0 HA PHE A 64 12.106 25.953 21.127 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.754 22.987 20.846 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.159 23.675 20.611 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.718 25.215 18.693 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.476 23.189 19.167 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.270 25.685 16.321 1.00 15.00 H new ATOM 0 HE2 PHE A 64 15.029 23.658 16.795 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.425 24.905 15.372 1.00 15.00 H new ATOM 424 N TYR A 65 11.025 25.428 23.300 1.00 15.00 N ATOM 425 CA TYR A 65 10.380 25.139 24.579 1.00 15.00 C ATOM 426 C TYR A 65 8.900 24.853 24.345 1.00 15.00 C ATOM 427 O TYR A 65 8.270 25.491 23.504 1.00 15.00 O ATOM 428 CB TYR A 65 10.532 26.328 25.527 1.00 15.00 C ATOM 429 CG TYR A 65 10.178 26.002 26.960 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.146 25.450 27.806 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.887 26.251 27.441 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.826 25.145 29.133 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.565 25.946 28.771 1.00 15.00 C ATOM 434 CZ TYR A 65 9.535 25.393 29.616 1.00 15.00 C ATOM 435 OH TYR A 65 9.224 25.090 30.927 1.00 15.00 O ATOM 0 H TYR A 65 10.609 26.202 22.781 1.00 15.00 H new ATOM 0 HA TYR A 65 10.855 24.268 25.030 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.561 26.686 25.487 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.897 27.143 25.180 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.142 25.259 27.434 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.140 26.678 26.788 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.574 24.718 29.785 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.570 26.137 29.144 1.00 15.00 H new ATOM 0 HH TYR A 65 8.276 25.279 31.090 1.00 15.00 H new ATOM 445 N THR A 66 8.344 23.896 25.083 1.00 15.00 N ATOM 446 CA THR A 66 6.954 23.490 24.875 1.00 15.00 C ATOM 447 C THR A 66 6.081 23.880 26.064 1.00 15.00 C ATOM 448 O THR A 66 6.509 23.805 27.216 1.00 15.00 O ATOM 449 CB THR A 66 6.883 21.975 24.669 1.00 15.00 C ATOM 450 OG1 THR A 66 7.779 21.599 23.632 1.00 15.00 O ATOM 451 CG2 THR A 66 5.457 21.576 24.280 1.00 15.00 C ATOM 0 H THR A 66 8.828 23.390 25.825 1.00 15.00 H new ATOM 0 HA THR A 66 6.581 24.004 23.989 1.00 15.00 H new ATOM 0 HB THR A 66 7.160 21.469 25.594 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.737 20.629 23.499 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.408 20.497 24.134 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.769 21.866 25.074 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.177 22.081 23.355 1.00 15.00 H new ATOM 459 N LEU A 67 4.854 24.295 25.769 1.00 15.00 N ATOM 460 CA LEU A 67 3.898 24.662 26.806 1.00 15.00 C ATOM 461 C LEU A 67 3.153 23.432 27.312 1.00 15.00 C ATOM 462 O LEU A 67 2.570 22.684 26.527 1.00 15.00 O ATOM 463 CB LEU A 67 2.893 25.669 26.239 1.00 15.00 C ATOM 464 CG LEU A 67 3.603 26.983 25.904 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.642 27.901 25.147 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.043 27.669 27.201 1.00 15.00 C ATOM 0 H LEU A 67 4.498 24.386 24.818 1.00 15.00 H new ATOM 0 HA LEU A 67 4.441 25.108 27.639 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.423 25.262 25.344 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.098 25.849 26.963 1.00 15.00 H new ATOM 0 HG LEU A 67 4.476 26.777 25.285 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.146 28.837 24.908 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.324 27.414 24.225 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.770 28.107 25.768 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.549 28.605 26.964 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.169 27.875 27.818 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.725 27.016 27.745 1.00 15.00 H new ATOM 478 N LYS A 68 3.145 23.253 28.631 1.00 15.00 N ATOM 479 CA LYS A 68 2.489 22.102 29.245 1.00 15.00 C ATOM 480 C LYS A 68 1.491 22.560 30.305 1.00 15.00 C ATOM 481 O LYS A 68 1.723 23.543 31.009 1.00 15.00 O ATOM 482 CB LYS A 68 3.535 21.189 29.889 1.00 15.00 C ATOM 483 CG LYS A 68 2.861 19.914 30.398 1.00 15.00 C ATOM 484 CD LYS A 68 3.922 18.959 30.949 1.00 15.00 C ATOM 485 CE LYS A 68 4.534 19.551 32.220 1.00 15.00 C ATOM 486 NZ LYS A 68 5.370 18.520 32.896 1.00 15.00 N ATOM 0 H LYS A 68 3.585 23.890 29.295 1.00 15.00 H new ATOM 0 HA LYS A 68 1.955 21.553 28.470 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.309 20.938 29.164 1.00 15.00 H new ATOM 0 HB3 LYS A 68 4.026 21.707 30.713 1.00 15.00 H new ATOM 0 HG2 LYS A 68 2.138 20.158 31.176 1.00 15.00 H new ATOM 0 HG3 LYS A 68 2.310 19.434 29.589 1.00 15.00 H new ATOM 0 HD2 LYS A 68 3.475 17.989 31.166 1.00 15.00 H new ATOM 0 HD3 LYS A 68 4.699 18.792 30.203 1.00 15.00 H new ATOM 0 HE2 LYS A 68 5.141 20.422 31.972 1.00 15.00 H new ATOM 0 HE3 LYS A 68 3.746 19.892 32.891 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 5.786 18.922 33.760 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 4.778 17.702 33.145 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 6.130 18.215 32.255 1.00 15.00 H new ATOM 500 N THR A 69 0.386 21.832 30.433 1.00 15.00 N ATOM 501 CA THR A 69 -0.660 22.197 31.387 1.00 15.00 C ATOM 502 C THR A 69 -0.090 22.400 32.790 1.00 15.00 C ATOM 503 O THR A 69 0.717 21.602 33.266 1.00 15.00 O ATOM 504 CB THR A 69 -1.733 21.106 31.427 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.724 21.454 32.381 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.096 19.770 31.815 1.00 15.00 C ATOM 0 H THR A 69 0.191 20.990 29.892 1.00 15.00 H new ATOM 0 HA THR A 69 -1.100 23.138 31.056 1.00 15.00 H new ATOM 0 HB THR A 69 -2.191 21.013 30.442 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.413 20.757 32.406 1.00 15.00 H new ATOM 0 HG21 THR A 69 -1.863 18.996 31.843 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.336 19.502 31.081 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.635 19.859 32.799 1.00 15.00 H new ATOM 514 N GLY A 70 -0.517 23.478 33.441 1.00 15.00 N ATOM 515 CA GLY A 70 -0.032 23.804 34.781 1.00 15.00 C ATOM 516 C GLY A 70 0.909 25.012 34.776 1.00 15.00 C ATOM 517 O GLY A 70 1.012 25.721 35.778 1.00 15.00 O ATOM 0 H GLY A 70 -1.196 24.140 33.065 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -0.881 24.009 35.433 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.489 22.942 35.197 1.00 15.00 H new ATOM 521 N GLU A 71 1.592 25.251 33.657 1.00 15.00 N ATOM 522 CA GLU A 71 2.508 26.383 33.553 1.00 15.00 C ATOM 523 C GLU A 71 1.911 27.474 32.671 1.00 15.00 C ATOM 524 O GLU A 71 1.209 27.185 31.700 1.00 15.00 O ATOM 525 CB GLU A 71 3.839 25.922 32.956 1.00 15.00 C ATOM 526 CG GLU A 71 4.860 27.063 33.037 1.00 15.00 C ATOM 527 CD GLU A 71 6.187 26.694 32.364 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.296 25.612 31.805 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.089 27.514 32.420 1.00 15.00 O ATOM 0 H GLU A 71 1.528 24.679 32.815 1.00 15.00 H new ATOM 0 HA GLU A 71 2.674 26.785 34.552 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.209 25.050 33.496 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.699 25.619 31.918 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.448 27.953 32.562 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.041 27.314 34.082 1.00 15.00 H new ATOM 536 N THR A 72 2.192 28.728 33.013 1.00 15.00 N ATOM 537 CA THR A 72 1.701 29.863 32.233 1.00 15.00 C ATOM 538 C THR A 72 2.870 30.598 31.586 1.00 15.00 C ATOM 539 O THR A 72 4.017 30.455 32.008 1.00 15.00 O ATOM 540 CB THR A 72 0.925 30.830 33.131 1.00 15.00 C ATOM 541 OG1 THR A 72 1.805 31.383 34.100 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.216 30.092 33.834 1.00 15.00 C ATOM 0 H THR A 72 2.756 28.985 33.823 1.00 15.00 H new ATOM 0 HA THR A 72 1.036 29.486 31.456 1.00 15.00 H new ATOM 0 HB THR A 72 0.506 31.629 32.519 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.813 30.813 34.897 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.762 30.788 34.470 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.893 29.674 33.089 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.193 29.287 34.444 1.00 15.00 H new ATOM 550 N VAL A 73 2.574 31.404 30.570 1.00 15.00 N ATOM 551 CA VAL A 73 3.621 32.128 29.854 1.00 15.00 C ATOM 552 C VAL A 73 4.419 32.998 30.823 1.00 15.00 C ATOM 553 O VAL A 73 5.651 33.017 30.787 1.00 15.00 O ATOM 554 CB VAL A 73 2.997 32.996 28.754 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.092 33.716 27.960 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.187 32.114 27.799 1.00 15.00 C ATOM 0 H VAL A 73 1.628 31.572 30.226 1.00 15.00 H new ATOM 0 HA VAL A 73 4.298 31.408 29.395 1.00 15.00 H new ATOM 0 HB VAL A 73 2.345 33.735 29.221 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.635 34.328 27.183 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.669 34.352 28.631 1.00 15.00 H new ATOM 0 HG13 VAL A 73 4.752 32.980 27.501 1.00 15.00 H new ATOM 0 HG21 VAL A 73 1.745 32.733 27.019 1.00 15.00 H new ATOM 0 HG22 VAL A 73 2.843 31.371 27.345 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.396 31.609 28.353 1.00 15.00 H new ATOM 566 N ALA A 74 3.716 33.693 31.710 1.00 15.00 N ATOM 567 CA ALA A 74 4.377 34.578 32.663 1.00 15.00 C ATOM 568 C ALA A 74 5.318 33.790 33.570 1.00 15.00 C ATOM 569 O ALA A 74 6.430 34.234 33.857 1.00 15.00 O ATOM 570 CB ALA A 74 3.333 35.314 33.506 1.00 15.00 C ATOM 0 H ALA A 74 2.700 33.662 31.790 1.00 15.00 H new ATOM 0 HA ALA A 74 4.965 35.306 32.105 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.836 35.972 34.215 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.690 35.906 32.854 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.728 34.589 34.051 1.00 15.00 H new ATOM 576 N ASP A 75 4.887 32.605 33.995 1.00 15.00 N ATOM 577 CA ASP A 75 5.697 31.795 34.899 1.00 15.00 C ATOM 578 C ASP A 75 7.030 31.438 34.248 1.00 15.00 C ATOM 579 O ASP A 75 8.088 31.562 34.864 1.00 15.00 O ATOM 580 CB ASP A 75 4.947 30.511 35.268 1.00 15.00 C ATOM 581 CG ASP A 75 3.687 30.830 36.071 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.670 31.845 36.751 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.752 30.050 35.994 1.00 15.00 O ATOM 0 H ASP A 75 3.994 32.189 33.732 1.00 15.00 H new ATOM 0 HA ASP A 75 5.889 32.375 35.802 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.678 29.968 34.362 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.598 29.858 35.849 1.00 15.00 H new ATOM 588 N LEU A 76 6.974 31.020 32.988 1.00 15.00 N ATOM 589 CA LEU A 76 8.186 30.645 32.268 1.00 15.00 C ATOM 590 C LEU A 76 9.147 31.827 32.198 1.00 15.00 C ATOM 591 O LEU A 76 10.347 31.682 32.426 1.00 15.00 O ATOM 592 CB LEU A 76 7.829 30.185 30.853 1.00 15.00 C ATOM 593 CG LEU A 76 9.083 29.680 30.132 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.513 28.337 30.725 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.772 29.500 28.645 1.00 15.00 C ATOM 0 H LEU A 76 6.113 30.933 32.449 1.00 15.00 H new ATOM 0 HA LEU A 76 8.671 29.827 32.801 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.082 29.393 30.897 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.386 31.010 30.295 1.00 15.00 H new ATOM 0 HG LEU A 76 9.888 30.404 30.256 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.405 27.981 30.210 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.732 28.461 31.786 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.709 27.611 30.603 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.662 29.141 28.128 1.00 15.00 H new ATOM 0 HD22 LEU A 76 7.966 28.775 28.527 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.466 30.455 28.219 1.00 15.00 H new ATOM 607 N SER A 77 8.608 33.005 31.907 1.00 15.00 N ATOM 608 CA SER A 77 9.431 34.201 31.779 1.00 15.00 C ATOM 609 C SER A 77 10.174 34.499 33.077 1.00 15.00 C ATOM 610 O SER A 77 11.343 34.882 33.054 1.00 15.00 O ATOM 611 CB SER A 77 8.550 35.394 31.409 1.00 15.00 C ATOM 612 OG SER A 77 9.376 36.492 31.048 1.00 15.00 O ATOM 0 H SER A 77 7.611 33.157 31.756 1.00 15.00 H new ATOM 0 HA SER A 77 10.167 34.026 30.994 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.891 35.132 30.581 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.912 35.665 32.250 1.00 15.00 H new ATOM 0 HG SER A 77 9.933 36.748 31.813 1.00 15.00 H new ATOM 618 N LYS A 78 9.487 34.336 34.201 1.00 15.00 N ATOM 619 CA LYS A 78 10.085 34.623 35.501 1.00 15.00 C ATOM 620 C LYS A 78 11.274 33.704 35.766 1.00 15.00 C ATOM 621 O LYS A 78 12.338 34.156 36.190 1.00 15.00 O ATOM 622 CB LYS A 78 9.038 34.443 36.603 1.00 15.00 C ATOM 623 CG LYS A 78 9.609 34.885 37.954 1.00 15.00 C ATOM 624 CD LYS A 78 9.666 36.412 38.018 1.00 15.00 C ATOM 625 CE LYS A 78 10.148 36.846 39.405 1.00 15.00 C ATOM 626 NZ LYS A 78 9.083 36.567 40.410 1.00 15.00 N ATOM 0 H LYS A 78 8.522 34.009 34.240 1.00 15.00 H new ATOM 0 HA LYS A 78 10.439 35.654 35.498 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.148 35.027 36.368 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.730 33.399 36.655 1.00 15.00 H new ATOM 0 HG2 LYS A 78 8.989 34.501 38.764 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.607 34.469 38.091 1.00 15.00 H new ATOM 0 HD2 LYS A 78 10.340 36.794 37.251 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.681 36.832 37.815 1.00 15.00 H new ATOM 0 HE2 LYS A 78 11.061 36.312 39.668 1.00 15.00 H new ATOM 0 HE3 LYS A 78 10.391 37.909 39.402 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 9.256 37.133 41.265 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 8.155 36.817 40.011 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 9.093 35.556 40.655 1.00 15.00 H new ATOM 640 N SER A 79 11.087 32.412 35.516 1.00 15.00 N ATOM 641 CA SER A 79 12.141 31.434 35.767 1.00 15.00 C ATOM 642 C SER A 79 13.376 31.737 34.924 1.00 15.00 C ATOM 643 O SER A 79 14.504 31.668 35.410 1.00 15.00 O ATOM 644 CB SER A 79 11.634 30.028 35.445 1.00 15.00 C ATOM 645 OG SER A 79 12.599 29.076 35.870 1.00 15.00 O ATOM 0 H SER A 79 10.223 32.019 35.143 1.00 15.00 H new ATOM 0 HA SER A 79 12.416 31.491 36.820 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.683 29.848 35.945 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.455 29.929 34.374 1.00 15.00 H new ATOM 0 HG SER A 79 12.278 28.172 35.667 1.00 15.00 H new ATOM 651 N GLN A 80 13.150 32.070 33.659 1.00 15.00 N ATOM 652 CA GLN A 80 14.248 32.385 32.746 1.00 15.00 C ATOM 653 C GLN A 80 14.853 33.776 32.985 1.00 15.00 C ATOM 654 O GLN A 80 15.894 34.097 32.412 1.00 15.00 O ATOM 655 CB GLN A 80 13.751 32.299 31.301 1.00 15.00 C ATOM 656 CG GLN A 80 13.337 30.859 30.987 1.00 15.00 C ATOM 657 CD GLN A 80 12.755 30.762 29.578 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.359 31.770 28.990 1.00 15.00 O ATOM 659 NE2 GLN A 80 12.680 29.597 28.996 1.00 15.00 N ATOM 0 H GLN A 80 12.222 32.130 33.241 1.00 15.00 H new ATOM 0 HA GLN A 80 15.034 31.654 32.935 1.00 15.00 H new ATOM 0 HB2 GLN A 80 12.906 32.971 31.156 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.535 32.621 30.616 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.200 30.199 31.076 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.600 30.520 31.715 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.008 28.762 29.482 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.294 29.521 28.055 1.00 15.00 H new ATOM 668 N ASP A 81 14.214 34.602 33.814 1.00 15.00 N ATOM 669 CA ASP A 81 14.700 35.956 34.060 1.00 15.00 C ATOM 670 C ASP A 81 14.727 36.757 32.759 1.00 15.00 C ATOM 671 O ASP A 81 15.671 37.499 32.482 1.00 15.00 O ATOM 672 CB ASP A 81 16.100 35.904 34.679 1.00 15.00 C ATOM 673 CG ASP A 81 16.511 37.294 35.154 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.125 37.662 36.252 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.208 37.970 34.415 1.00 15.00 O ATOM 0 H ASP A 81 13.364 34.358 34.323 1.00 15.00 H new ATOM 0 HA ASP A 81 14.023 36.451 34.756 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.111 35.206 35.516 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.817 35.534 33.946 1.00 15.00 H new ATOM 680 N ILE A 82 13.670 36.606 31.964 1.00 15.00 N ATOM 681 CA ILE A 82 13.546 37.326 30.699 1.00 15.00 C ATOM 682 C ILE A 82 12.350 38.272 30.764 1.00 15.00 C ATOM 683 O ILE A 82 11.352 37.978 31.420 1.00 15.00 O ATOM 684 CB ILE A 82 13.366 36.334 29.542 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.541 35.352 29.516 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.320 37.092 28.212 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.279 34.263 28.474 1.00 15.00 C ATOM 0 H ILE A 82 12.885 35.990 32.174 1.00 15.00 H new ATOM 0 HA ILE A 82 14.454 37.904 30.527 1.00 15.00 H new ATOM 0 HB ILE A 82 12.433 35.788 29.685 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.464 35.881 29.279 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.674 34.903 30.500 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.192 36.383 27.394 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.484 37.791 28.220 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.251 37.641 28.074 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.117 33.566 28.458 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.365 33.727 28.730 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.168 34.720 27.491 1.00 15.00 H new ATOM 699 N ASN A 83 12.462 39.413 30.091 1.00 15.00 N ATOM 700 CA ASN A 83 11.383 40.395 30.098 1.00 15.00 C ATOM 701 C ASN A 83 10.277 39.985 29.131 1.00 15.00 C ATOM 702 O ASN A 83 10.543 39.573 28.001 1.00 15.00 O ATOM 703 CB ASN A 83 11.926 41.770 29.702 1.00 15.00 C ATOM 704 CG ASN A 83 12.939 42.258 30.734 1.00 15.00 C ATOM 705 OD1 ASN A 83 12.931 41.809 31.881 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.820 43.159 30.393 1.00 15.00 N ATOM 0 H ASN A 83 13.278 39.679 29.540 1.00 15.00 H new ATOM 0 HA ASN A 83 10.969 40.444 31.105 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.396 41.714 28.720 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.106 42.483 29.623 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.501 43.491 31.076 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.827 43.531 29.443 1.00 15.00 H new ATOM 713 N LEU A 84 9.030 40.110 29.574 1.00 15.00 N ATOM 714 CA LEU A 84 7.894 39.736 28.738 1.00 15.00 C ATOM 715 C LEU A 84 7.918 40.499 27.416 1.00 15.00 C ATOM 716 O LEU A 84 7.607 39.940 26.365 1.00 15.00 O ATOM 717 CB LEU A 84 6.581 40.021 29.473 1.00 15.00 C ATOM 718 CG LEU A 84 6.535 39.237 30.789 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.267 39.611 31.560 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.514 37.734 30.495 1.00 15.00 C ATOM 0 H LEU A 84 8.781 40.464 30.498 1.00 15.00 H new ATOM 0 HA LEU A 84 7.965 38.669 28.526 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.491 41.089 29.673 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.735 39.742 28.845 1.00 15.00 H new ATOM 0 HG LEU A 84 7.416 39.481 31.382 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.233 39.054 32.496 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.273 40.680 31.774 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.391 39.366 30.960 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.481 37.180 31.433 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.633 37.492 29.900 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.412 37.459 29.942 1.00 15.00 H new ATOM 732 N SER A 85 8.314 41.769 27.465 1.00 15.00 N ATOM 733 CA SER A 85 8.367 42.584 26.256 1.00 15.00 C ATOM 734 C SER A 85 9.313 41.960 25.235 1.00 15.00 C ATOM 735 O SER A 85 8.995 41.875 24.050 1.00 15.00 O ATOM 736 CB SER A 85 8.841 43.997 26.599 1.00 15.00 C ATOM 737 OG SER A 85 8.701 44.826 25.453 1.00 15.00 O ATOM 0 H SER A 85 8.599 42.250 28.318 1.00 15.00 H new ATOM 0 HA SER A 85 7.366 42.633 25.827 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.257 44.399 27.427 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.881 43.976 26.923 1.00 15.00 H new ATOM 0 HG SER A 85 9.002 45.734 25.667 1.00 15.00 H new ATOM 743 N THR A 86 10.466 41.500 25.706 1.00 15.00 N ATOM 744 CA THR A 86 11.456 40.900 24.815 1.00 15.00 C ATOM 745 C THR A 86 10.886 39.657 24.135 1.00 15.00 C ATOM 746 O THR A 86 11.021 39.477 22.923 1.00 15.00 O ATOM 747 CB THR A 86 12.709 40.523 25.608 1.00 15.00 C ATOM 748 OG1 THR A 86 13.176 41.662 26.318 1.00 15.00 O ATOM 749 CG2 THR A 86 13.797 40.035 24.651 1.00 15.00 C ATOM 0 H THR A 86 10.738 41.529 26.689 1.00 15.00 H new ATOM 0 HA THR A 86 11.717 41.629 24.048 1.00 15.00 H new ATOM 0 HB THR A 86 12.467 39.727 26.312 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.978 41.423 26.828 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.688 39.767 25.219 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.438 39.162 24.107 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.042 40.828 23.944 1.00 15.00 H new ATOM 757 N ILE A 87 10.215 38.816 24.915 1.00 15.00 N ATOM 758 CA ILE A 87 9.663 37.573 24.385 1.00 15.00 C ATOM 759 C ILE A 87 8.703 37.878 23.238 1.00 15.00 C ATOM 760 O ILE A 87 8.757 37.246 22.184 1.00 15.00 O ATOM 761 CB ILE A 87 8.934 36.805 25.495 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.905 36.529 26.649 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.413 35.470 24.954 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.142 35.921 27.828 1.00 15.00 C ATOM 0 H ILE A 87 10.041 38.970 25.908 1.00 15.00 H new ATOM 0 HA ILE A 87 10.478 36.955 24.009 1.00 15.00 H new ATOM 0 HB ILE A 87 8.096 37.406 25.848 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.691 35.848 26.321 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.392 37.454 26.957 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.897 34.932 25.749 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.721 35.655 24.133 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.250 34.871 24.595 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.834 35.726 28.647 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.372 36.617 28.161 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.675 34.986 27.516 1.00 15.00 H new ATOM 776 N TRP A 88 7.836 38.860 23.448 1.00 15.00 N ATOM 777 CA TRP A 88 6.873 39.244 22.423 1.00 15.00 C ATOM 778 C TRP A 88 7.574 39.691 21.142 1.00 15.00 C ATOM 779 O TRP A 88 7.231 39.238 20.051 1.00 15.00 O ATOM 780 CB TRP A 88 5.984 40.377 22.940 1.00 15.00 C ATOM 781 CG TRP A 88 4.937 40.808 21.962 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.968 40.009 21.458 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.734 42.123 21.365 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.185 40.747 20.589 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.615 42.055 20.498 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.403 43.352 21.489 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.179 43.171 19.780 1.00 15.00 C ATOM 788 CZ3 TRP A 88 4.967 44.475 20.769 1.00 15.00 C ATOM 789 CH2 TRP A 88 3.858 44.386 19.917 1.00 15.00 C ATOM 0 H TRP A 88 7.779 39.401 24.311 1.00 15.00 H new ATOM 0 HA TRP A 88 6.262 38.371 22.194 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.499 40.056 23.862 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.610 41.233 23.191 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.829 38.965 21.696 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.387 40.370 20.078 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.259 43.433 22.143 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.324 43.096 19.124 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 5.490 45.414 20.872 1.00 15.00 H new ATOM 0 HH2 TRP A 88 3.528 45.255 19.367 1.00 15.00 H new ATOM 800 N SER A 89 8.583 40.546 21.275 1.00 15.00 N ATOM 801 CA SER A 89 9.262 41.094 20.104 1.00 15.00 C ATOM 802 C SER A 89 9.780 39.986 19.190 1.00 15.00 C ATOM 803 O SER A 89 9.704 40.100 17.966 1.00 15.00 O ATOM 804 CB SER A 89 10.431 41.975 20.546 1.00 15.00 C ATOM 805 OG SER A 89 11.444 41.156 21.117 1.00 15.00 O ATOM 0 H SER A 89 8.946 40.872 22.171 1.00 15.00 H new ATOM 0 HA SER A 89 8.538 41.688 19.546 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.829 42.526 19.694 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.091 42.713 21.272 1.00 15.00 H new ATOM 0 HG SER A 89 11.150 40.836 21.995 1.00 15.00 H new ATOM 811 N LEU A 90 10.302 38.916 19.783 1.00 15.00 N ATOM 812 CA LEU A 90 10.816 37.799 18.995 1.00 15.00 C ATOM 813 C LEU A 90 9.685 36.986 18.366 1.00 15.00 C ATOM 814 O LEU A 90 9.657 36.782 17.152 1.00 15.00 O ATOM 815 CB LEU A 90 11.661 36.883 19.885 1.00 15.00 C ATOM 816 CG LEU A 90 12.814 37.677 20.505 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.580 36.782 21.481 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.768 38.146 19.404 1.00 15.00 C ATOM 0 H LEU A 90 10.380 38.798 20.793 1.00 15.00 H new ATOM 0 HA LEU A 90 11.427 38.212 18.193 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.041 36.452 20.671 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.054 36.053 19.298 1.00 15.00 H new ATOM 0 HG LEU A 90 12.412 38.542 21.033 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.401 37.346 21.923 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.907 36.443 22.268 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.978 35.919 20.947 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.587 38.711 19.849 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.168 37.280 18.876 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.229 38.781 18.702 1.00 15.00 H new ATOM 830 N ASN A 91 8.735 36.551 19.188 1.00 15.00 N ATOM 831 CA ASN A 91 7.668 35.668 18.713 1.00 15.00 C ATOM 832 C ASN A 91 6.474 36.418 18.109 1.00 15.00 C ATOM 833 O ASN A 91 5.452 35.802 17.802 1.00 15.00 O ATOM 834 CB ASN A 91 7.182 34.787 19.865 1.00 15.00 C ATOM 835 CG ASN A 91 8.304 33.856 20.312 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.202 32.638 20.162 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.380 34.355 20.855 1.00 15.00 N ATOM 0 H ASN A 91 8.679 36.791 20.178 1.00 15.00 H new ATOM 0 HA ASN A 91 8.098 35.065 17.913 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.859 35.409 20.700 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.317 34.204 19.549 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.134 33.737 21.154 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.467 35.363 20.980 1.00 15.00 H new ATOM 844 N LYS A 92 6.583 37.733 17.937 1.00 15.00 N ATOM 845 CA LYS A 92 5.514 38.512 17.320 1.00 15.00 C ATOM 846 C LYS A 92 5.058 37.912 15.985 1.00 15.00 C ATOM 847 O LYS A 92 3.903 38.081 15.593 1.00 15.00 O ATOM 848 CB LYS A 92 5.975 39.966 17.140 1.00 15.00 C ATOM 849 CG LYS A 92 7.092 40.063 16.092 1.00 15.00 C ATOM 850 CD LYS A 92 7.615 41.498 16.033 1.00 15.00 C ATOM 851 CE LYS A 92 8.493 41.672 14.792 1.00 15.00 C ATOM 852 NZ LYS A 92 9.812 41.018 15.022 1.00 15.00 N ATOM 0 H LYS A 92 7.398 38.280 18.215 1.00 15.00 H new ATOM 0 HA LYS A 92 4.650 38.487 17.984 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.130 40.584 16.835 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.330 40.359 18.093 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.903 39.380 16.345 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.715 39.762 15.115 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.781 42.199 16.002 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.189 41.724 16.932 1.00 15.00 H new ATOM 0 HE2 LYS A 92 8.004 41.233 13.923 1.00 15.00 H new ATOM 0 HE3 LYS A 92 8.633 42.732 14.578 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 10.575 41.703 14.845 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 9.867 40.685 16.006 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.916 40.210 14.376 1.00 15.00 H new ATOM 866 N HIS A 93 5.963 37.233 15.282 1.00 15.00 N ATOM 867 CA HIS A 93 5.613 36.623 14.004 1.00 15.00 C ATOM 868 C HIS A 93 4.785 35.351 14.204 1.00 15.00 C ATOM 869 O HIS A 93 3.881 35.065 13.421 1.00 15.00 O ATOM 870 CB HIS A 93 6.880 36.327 13.190 1.00 15.00 C ATOM 871 CG HIS A 93 7.705 35.167 13.689 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.636 35.293 14.709 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.763 33.853 13.292 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.211 34.089 14.885 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.715 33.176 14.047 1.00 15.00 N ATOM 0 H HIS A 93 6.931 37.093 15.572 1.00 15.00 H new ATOM 0 HA HIS A 93 5.000 37.331 13.447 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.592 36.130 12.157 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.505 37.220 13.182 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.847 36.144 15.231 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.160 33.412 12.512 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.980 33.886 15.615 1.00 15.00 H new ATOM 883 N LEU A 94 5.095 34.592 15.254 1.00 15.00 N ATOM 884 CA LEU A 94 4.380 33.348 15.522 1.00 15.00 C ATOM 885 C LEU A 94 2.931 33.615 15.921 1.00 15.00 C ATOM 886 O LEU A 94 2.020 32.911 15.483 1.00 15.00 O ATOM 887 CB LEU A 94 5.074 32.575 16.648 1.00 15.00 C ATOM 888 CG LEU A 94 6.527 32.285 16.268 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.233 31.605 17.442 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.569 31.355 15.053 1.00 15.00 C ATOM 0 H LEU A 94 5.829 34.815 15.926 1.00 15.00 H new ATOM 0 HA LEU A 94 4.387 32.758 14.605 1.00 15.00 H new ATOM 0 HB2 LEU A 94 5.040 33.153 17.571 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.546 31.640 16.837 1.00 15.00 H new ATOM 0 HG LEU A 94 7.028 33.222 16.026 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.269 31.398 17.173 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.209 32.262 18.311 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.726 30.670 17.680 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.606 31.151 14.786 1.00 15.00 H new ATOM 0 HD22 LEU A 94 6.066 30.419 15.294 1.00 15.00 H new ATOM 0 HD23 LEU A 94 6.065 31.832 14.212 1.00 15.00 H new ATOM 902 N TYR A 95 2.721 34.634 16.749 1.00 15.00 N ATOM 903 CA TYR A 95 1.380 34.960 17.233 1.00 15.00 C ATOM 904 C TYR A 95 0.916 36.306 16.685 1.00 15.00 C ATOM 905 O TYR A 95 1.718 37.214 16.472 1.00 15.00 O ATOM 906 CB TYR A 95 1.379 35.000 18.762 1.00 15.00 C ATOM 907 CG TYR A 95 1.741 33.675 19.392 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.770 32.675 19.524 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.046 33.446 19.846 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.102 31.447 20.107 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.379 32.218 20.430 1.00 15.00 C ATOM 912 CZ TYR A 95 2.407 31.218 20.560 1.00 15.00 C ATOM 913 OH TYR A 95 2.731 30.008 21.140 1.00 15.00 O ATOM 0 H TYR A 95 3.458 35.247 17.099 1.00 15.00 H new ATOM 0 HA TYR A 95 0.692 34.189 16.885 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.083 35.760 19.100 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.392 35.303 19.111 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.237 32.852 19.175 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.796 34.217 19.746 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.352 30.676 20.208 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.385 32.042 20.780 1.00 15.00 H new ATOM 0 HH TYR A 95 3.568 29.674 20.754 1.00 15.00 H new ATOM 923 N SER A 96 -0.390 36.428 16.468 1.00 15.00 N ATOM 924 CA SER A 96 -0.951 37.636 15.874 1.00 15.00 C ATOM 925 C SER A 96 -0.838 38.829 16.818 1.00 15.00 C ATOM 926 O SER A 96 -0.515 39.937 16.392 1.00 15.00 O ATOM 927 CB SER A 96 -2.421 37.404 15.522 1.00 15.00 C ATOM 928 OG SER A 96 -2.525 36.261 14.684 1.00 15.00 O ATOM 0 H SER A 96 -1.077 35.708 16.694 1.00 15.00 H new ATOM 0 HA SER A 96 -0.382 37.860 14.972 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.006 37.259 16.430 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.829 38.279 15.016 1.00 15.00 H new ATOM 0 HG SER A 96 -3.466 36.107 14.457 1.00 15.00 H new ATOM 934 N SER A 97 -1.105 38.600 18.101 1.00 15.00 N ATOM 935 CA SER A 97 -1.098 39.688 19.073 1.00 15.00 C ATOM 936 C SER A 97 -0.773 39.178 20.473 1.00 15.00 C ATOM 937 O SER A 97 -0.734 37.971 20.715 1.00 15.00 O ATOM 938 CB SER A 97 -2.462 40.379 19.088 1.00 15.00 C ATOM 939 OG SER A 97 -3.421 39.506 19.670 1.00 15.00 O ATOM 0 H SER A 97 -1.326 37.683 18.488 1.00 15.00 H new ATOM 0 HA SER A 97 -0.325 40.398 18.777 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.406 41.308 19.656 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.761 40.643 18.073 1.00 15.00 H new ATOM 0 HG SER A 97 -4.297 39.945 19.684 1.00 15.00 H new ATOM 945 N GLU A 98 -0.539 40.111 21.391 1.00 15.00 N ATOM 946 CA GLU A 98 -0.218 39.762 22.772 1.00 15.00 C ATOM 947 C GLU A 98 -1.359 38.994 23.436 1.00 15.00 C ATOM 948 O GLU A 98 -1.122 38.110 24.259 1.00 15.00 O ATOM 949 CB GLU A 98 0.065 41.034 23.574 1.00 15.00 C ATOM 950 CG GLU A 98 1.305 41.736 23.006 1.00 15.00 C ATOM 951 CD GLU A 98 1.681 42.975 23.825 1.00 15.00 C ATOM 952 OE1 GLU A 98 0.905 43.390 24.675 1.00 15.00 O ATOM 953 OE2 GLU A 98 2.756 43.499 23.586 1.00 15.00 O ATOM 0 H GLU A 98 -0.565 41.113 21.204 1.00 15.00 H new ATOM 0 HA GLU A 98 0.664 39.122 22.757 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.795 41.702 23.531 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.224 40.786 24.624 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.144 41.040 22.994 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.117 42.027 21.972 1.00 15.00 H new ATOM 960 N SER A 99 -2.598 39.325 23.079 1.00 15.00 N ATOM 961 CA SER A 99 -3.756 38.684 23.697 1.00 15.00 C ATOM 962 C SER A 99 -3.684 37.168 23.544 1.00 15.00 C ATOM 963 O SER A 99 -3.930 36.424 24.495 1.00 15.00 O ATOM 964 CB SER A 99 -5.042 39.202 23.052 1.00 15.00 C ATOM 965 OG SER A 99 -6.160 38.723 23.789 1.00 15.00 O ATOM 0 H SER A 99 -2.825 40.025 22.373 1.00 15.00 H new ATOM 0 HA SER A 99 -3.755 38.927 24.760 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.042 40.292 23.036 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.104 38.868 22.016 1.00 15.00 H new ATOM 0 HG SER A 99 -6.987 39.054 23.380 1.00 15.00 H new ATOM 971 N GLU A 100 -3.307 36.712 22.355 1.00 15.00 N ATOM 972 CA GLU A 100 -3.203 35.280 22.099 1.00 15.00 C ATOM 973 C GLU A 100 -2.161 34.629 23.008 1.00 15.00 C ATOM 974 O GLU A 100 -2.334 33.485 23.432 1.00 15.00 O ATOM 975 CB GLU A 100 -2.853 35.035 20.630 1.00 15.00 C ATOM 976 CG GLU A 100 -4.021 35.501 19.754 1.00 15.00 C ATOM 977 CD GLU A 100 -3.769 35.218 18.271 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.637 34.945 17.901 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.721 35.308 17.512 1.00 15.00 O ATOM 0 H GLU A 100 -3.070 37.306 21.560 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.169 34.825 22.318 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.944 35.575 20.364 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.655 33.976 20.462 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.935 34.998 20.070 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.179 36.570 19.898 1.00 15.00 H new ATOM 986 N MET A 101 -1.083 35.351 23.306 1.00 15.00 N ATOM 987 CA MET A 101 -0.051 34.827 24.194 1.00 15.00 C ATOM 988 C MET A 101 -0.604 34.614 25.601 1.00 15.00 C ATOM 989 O MET A 101 -0.426 33.552 26.195 1.00 15.00 O ATOM 990 CB MET A 101 1.130 35.799 24.254 1.00 15.00 C ATOM 991 CG MET A 101 1.782 35.901 22.874 1.00 15.00 C ATOM 992 SD MET A 101 3.300 36.882 22.996 1.00 15.00 S ATOM 993 CE MET A 101 4.307 35.648 23.854 1.00 15.00 C ATOM 0 H MET A 101 -0.903 36.290 22.950 1.00 15.00 H new ATOM 0 HA MET A 101 0.284 33.868 23.799 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.789 36.782 24.580 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.860 35.456 24.987 1.00 15.00 H new ATOM 0 HG2 MET A 101 2.009 34.905 22.493 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.093 36.364 22.167 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.319 35.660 23.450 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.338 35.880 24.918 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.871 34.659 23.711 1.00 15.00 H new ATOM 1003 N MET A 102 -1.325 35.607 26.109 1.00 15.00 N ATOM 1004 CA MET A 102 -1.880 35.526 27.459 1.00 15.00 C ATOM 1005 C MET A 102 -2.823 34.330 27.596 1.00 15.00 C ATOM 1006 O MET A 102 -2.854 33.670 28.635 1.00 15.00 O ATOM 1007 CB MET A 102 -2.649 36.810 27.782 1.00 15.00 C ATOM 1008 CG MET A 102 -1.716 38.026 27.738 1.00 15.00 C ATOM 1009 SD MET A 102 -0.372 37.846 28.942 1.00 15.00 S ATOM 1010 CE MET A 102 -1.393 37.830 30.437 1.00 15.00 C ATOM 0 H MET A 102 -1.539 36.472 25.613 1.00 15.00 H new ATOM 0 HA MET A 102 -1.052 35.401 28.157 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.461 36.943 27.068 1.00 15.00 H new ATOM 0 HB3 MET A 102 -3.103 36.729 28.770 1.00 15.00 H new ATOM 0 HG2 MET A 102 -1.301 38.136 26.736 1.00 15.00 H new ATOM 0 HG3 MET A 102 -2.282 38.933 27.950 1.00 15.00 H new ATOM 0 HE1 MET A 102 -0.876 38.361 31.236 1.00 15.00 H new ATOM 0 HE2 MET A 102 -2.345 38.320 30.233 1.00 15.00 H new ATOM 0 HE3 MET A 102 -1.573 36.800 30.743 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.587 34.056 26.544 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.546 32.949 26.565 1.00 15.00 C ATOM 1022 C LYS A 103 -3.941 31.634 26.053 1.00 15.00 C ATOM 1023 O LYS A 103 -4.679 30.702 25.735 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.764 33.299 25.704 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.392 34.616 26.173 1.00 15.00 C ATOM 1026 CD LYS A 103 -6.927 34.464 27.599 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.724 35.712 27.980 1.00 15.00 C ATOM 1028 NZ LYS A 103 -6.815 36.891 28.016 1.00 15.00 N ATOM 0 H LYS A 103 -3.564 34.580 25.669 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.836 32.803 27.605 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.466 33.383 24.659 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.500 32.497 25.762 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -5.651 35.414 26.137 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -7.201 34.902 25.501 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.560 33.580 27.669 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -6.101 34.320 28.295 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -8.525 35.879 27.260 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -8.195 35.573 28.953 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -7.302 37.692 28.467 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -5.961 36.655 28.561 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -6.546 37.152 27.046 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.612 31.548 25.968 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.959 30.340 25.475 1.00 15.00 C ATOM 1044 C ALA A 104 -2.409 29.110 26.257 1.00 15.00 C ATOM 1045 O ALA A 104 -2.679 29.184 27.455 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.440 30.489 25.592 1.00 15.00 C ATOM 0 H ALA A 104 -1.973 32.297 26.233 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.240 30.206 24.431 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.044 29.585 25.223 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.112 31.344 25.000 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.169 30.645 26.636 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.486 27.979 25.560 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.908 26.725 26.174 1.00 15.00 C ATOM 1054 C ALA A 105 -1.890 25.616 25.888 1.00 15.00 C ATOM 1055 O ALA A 105 -1.000 25.804 25.057 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.277 26.314 25.630 1.00 15.00 C ATOM 0 H ALA A 105 -2.261 27.906 24.568 1.00 15.00 H new ATOM 0 HA ALA A 105 -2.973 26.874 27.252 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.586 25.377 26.093 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.007 27.090 25.859 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.215 26.182 24.550 1.00 15.00 H new ATOM 1062 N PRO A 106 -1.991 24.477 26.542 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.017 23.363 26.326 1.00 15.00 C ATOM 1064 C PRO A 106 -0.962 22.909 24.868 1.00 15.00 C ATOM 1065 O PRO A 106 -1.970 22.930 24.163 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.514 22.227 27.229 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.401 22.875 28.235 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.007 24.094 27.546 1.00 15.00 C ATOM 0 HA PRO A 106 -0.002 23.679 26.565 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.056 21.477 26.653 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.681 21.717 27.712 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.180 22.188 28.567 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.836 23.169 29.120 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -3.961 23.855 27.077 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.193 24.902 28.254 1.00 15.00 H new ATOM 1076 N GLY A 107 0.225 22.499 24.427 1.00 15.00 N ATOM 1077 CA GLY A 107 0.396 21.991 23.067 1.00 15.00 C ATOM 1078 C GLY A 107 1.066 22.998 22.124 1.00 15.00 C ATOM 1079 O GLY A 107 1.536 22.612 21.053 1.00 15.00 O ATOM 0 H GLY A 107 1.078 22.508 24.987 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.994 21.080 23.099 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.579 21.718 22.663 1.00 15.00 H new ATOM 1083 N GLN A 108 1.114 24.276 22.505 1.00 15.00 N ATOM 1084 CA GLN A 108 1.717 25.291 21.647 1.00 15.00 C ATOM 1085 C GLN A 108 3.220 25.383 21.886 1.00 15.00 C ATOM 1086 O GLN A 108 3.712 25.018 22.954 1.00 15.00 O ATOM 1087 CB GLN A 108 1.057 26.651 21.883 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.393 26.594 21.400 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.053 27.958 21.563 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.537 28.284 22.645 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.101 28.777 20.548 1.00 15.00 N ATOM 0 H GLN A 108 0.747 24.627 23.390 1.00 15.00 H new ATOM 0 HA GLN A 108 1.554 24.998 20.610 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.091 26.907 22.942 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.601 27.431 21.349 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.424 26.289 20.354 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.944 25.844 21.968 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.698 28.503 19.652 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.541 29.691 20.651 1.00 15.00 H new ATOM 1100 N GLN A 109 3.947 25.863 20.881 1.00 15.00 N ATOM 1101 CA GLN A 109 5.403 25.946 20.965 1.00 15.00 C ATOM 1102 C GLN A 109 5.871 27.397 21.043 1.00 15.00 C ATOM 1103 O GLN A 109 5.215 28.308 20.537 1.00 15.00 O ATOM 1104 CB GLN A 109 6.030 25.278 19.740 1.00 15.00 C ATOM 1105 CG GLN A 109 5.691 23.785 19.742 1.00 15.00 C ATOM 1106 CD GLN A 109 6.232 23.109 18.483 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.538 23.776 17.494 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.370 21.812 18.463 1.00 15.00 N ATOM 0 H GLN A 109 3.554 26.199 20.002 1.00 15.00 H new ATOM 0 HA GLN A 109 5.718 25.432 21.873 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.658 25.745 18.828 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.111 25.416 19.751 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.116 23.311 20.627 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.611 23.652 19.797 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.117 21.259 19.282 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.731 21.350 17.628 1.00 15.00 H new ATOM 1117 N ILE A 110 6.993 27.596 21.726 1.00 15.00 N ATOM 1118 CA ILE A 110 7.628 28.906 21.818 1.00 15.00 C ATOM 1119 C ILE A 110 9.075 28.801 21.338 1.00 15.00 C ATOM 1120 O ILE A 110 9.773 27.842 21.669 1.00 15.00 O ATOM 1121 CB ILE A 110 7.585 29.401 23.269 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.128 29.488 23.730 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.233 30.784 23.377 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.075 29.802 25.226 1.00 15.00 C ATOM 0 H ILE A 110 7.486 26.858 22.229 1.00 15.00 H new ATOM 0 HA ILE A 110 7.093 29.618 21.189 1.00 15.00 H new ATOM 0 HB ILE A 110 8.134 28.702 23.899 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.605 30.262 23.168 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.617 28.547 23.528 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.196 31.123 24.412 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.272 30.726 23.051 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.694 31.489 22.744 1.00 15.00 H new ATOM 0 HD11 ILE A 110 5.036 29.863 25.548 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.582 29.013 25.782 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.570 30.754 25.416 1.00 15.00 H new ATOM 1136 N ILE A 111 9.526 29.789 20.569 1.00 15.00 N ATOM 1137 CA ILE A 111 10.893 29.777 20.048 1.00 15.00 C ATOM 1138 C ILE A 111 11.750 30.804 20.784 1.00 15.00 C ATOM 1139 O ILE A 111 11.341 31.948 20.980 1.00 15.00 O ATOM 1140 CB ILE A 111 10.896 30.082 18.544 1.00 15.00 C ATOM 1141 CG1 ILE A 111 9.989 29.088 17.811 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.321 29.951 17.995 1.00 15.00 C ATOM 1143 CD1 ILE A 111 9.860 29.496 16.342 1.00 15.00 C ATOM 0 H ILE A 111 8.973 30.601 20.294 1.00 15.00 H new ATOM 0 HA ILE A 111 11.312 28.784 20.208 1.00 15.00 H new ATOM 0 HB ILE A 111 10.531 31.097 18.388 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.402 28.082 17.884 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.005 29.064 18.280 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.321 30.168 16.927 1.00 15.00 H new ATOM 0 HG22 ILE A 111 12.975 30.656 18.508 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.682 28.936 18.159 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.214 28.787 15.823 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.428 30.495 16.278 1.00 15.00 H new ATOM 0 HD13 ILE A 111 10.846 29.497 15.877 1.00 15.00 H new ATOM 1155 N LEU A 112 12.938 30.373 21.194 1.00 15.00 N ATOM 1156 CA LEU A 112 13.897 31.256 21.847 1.00 15.00 C ATOM 1157 C LEU A 112 15.160 31.380 20.988 1.00 15.00 C ATOM 1158 O LEU A 112 16.006 30.484 21.030 1.00 15.00 O ATOM 1159 CB LEU A 112 14.276 30.676 23.212 1.00 15.00 C ATOM 1160 CG LEU A 112 13.139 30.921 24.205 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.265 29.947 25.377 1.00 15.00 C ATOM 1162 CD2 LEU A 112 13.219 32.357 24.727 1.00 15.00 C ATOM 0 H LEU A 112 13.261 29.412 21.085 1.00 15.00 H new ATOM 0 HA LEU A 112 13.446 32.240 21.974 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.471 29.607 23.123 1.00 15.00 H new ATOM 0 HB3 LEU A 112 15.194 31.139 23.573 1.00 15.00 H new ATOM 0 HG LEU A 112 12.182 30.767 23.706 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.454 30.122 26.084 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.209 28.923 25.007 1.00 15.00 H new ATOM 0 HD13 LEU A 112 14.222 30.100 25.876 1.00 15.00 H new ATOM 0 HD21 LEU A 112 12.409 32.532 25.435 1.00 15.00 H new ATOM 0 HD22 LEU A 112 14.176 32.510 25.226 1.00 15.00 H new ATOM 0 HD23 LEU A 112 13.129 33.053 23.893 1.00 15.00 H new ATOM 1174 N PRO A 113 15.293 32.410 20.177 1.00 15.00 N ATOM 1175 CA PRO A 113 16.528 32.600 19.357 1.00 15.00 C ATOM 1176 C PRO A 113 17.660 33.232 20.162 1.00 15.00 C ATOM 1177 O PRO A 113 17.666 34.440 20.399 1.00 15.00 O ATOM 1178 CB PRO A 113 16.077 33.525 18.229 1.00 15.00 C ATOM 1179 CG PRO A 113 14.971 34.338 18.809 1.00 15.00 C ATOM 1180 CD PRO A 113 14.316 33.484 19.898 1.00 15.00 C ATOM 0 HA PRO A 113 16.931 31.653 18.999 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.896 34.159 17.889 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.735 32.955 17.365 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.354 35.269 19.227 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.246 34.607 18.041 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.110 34.073 20.792 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.364 33.074 19.560 1.00 15.00 H new