USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot 180:sc= 0.407 USER MOD Set 1.2: A 109 GLN :FLIP amide:sc= -0.357 F(o=-2.8!,f=0.05) USER MOD Single : A 65 TYR OH : rot 176:sc= 0.243 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 180:sc= -0.0295 USER MOD Single : A 77 SER OG : rot -71:sc= -1.04 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.109) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -2.15 K(o=-2.2,f=-4!) USER MOD Single : A 83 ASN : amide:sc=-0.00246 K(o=-0.0025,f=-1.2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 89 SER OG : rot -73:sc= 1.23 USER MOD Single : A 91 ASN : amide:sc= -1.79 K(o=-1.8,f=-5.8!) USER MOD Single : A 92 LYS NZ :NH3+ 153:sc= -0.107 (180deg=-0.85) USER MOD Single : A 93 HIS : no HE2:sc= -2.68 K(o=-2.7,f=-5.2!) USER MOD Single : A 95 TYR OH : rot 143:sc= 0.205 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 -111:sc= -0.142 (180deg=-2.46!) USER MOD Single : A 102 MET CE :methyl -167:sc= -1.01 (180deg=-1.6!) USER MOD Single : A 103 LYS NZ :NH3+ -125:sc= -1.06 (180deg=-3.23!) USER MOD Single : A 108 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.583 27.443 20.712 1.00 15.00 N ATOM 386 CA LEU A 63 16.098 26.455 21.671 1.00 15.00 C ATOM 387 C LEU A 63 14.574 26.399 21.648 1.00 15.00 C ATOM 388 O LEU A 63 13.908 27.430 21.723 1.00 15.00 O ATOM 389 CB LEU A 63 16.577 26.818 23.079 1.00 15.00 C ATOM 390 CG LEU A 63 16.197 25.704 24.056 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.075 24.478 23.797 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.413 26.190 25.491 1.00 15.00 C ATOM 0 HA LEU A 63 16.493 25.477 21.395 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.657 26.963 23.080 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.129 27.760 23.394 1.00 15.00 H new ATOM 0 HG LEU A 63 15.149 25.438 23.915 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.805 23.684 24.493 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.924 24.132 22.775 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.122 24.744 23.939 1.00 15.00 H new ATOM 0 HD21 LEU A 63 16.143 25.397 26.188 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.461 26.455 25.632 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.790 27.065 25.677 1.00 15.00 H new ATOM 404 N PHE A 64 14.028 25.194 21.513 1.00 15.00 N ATOM 405 CA PHE A 64 12.579 25.021 21.498 1.00 15.00 C ATOM 406 C PHE A 64 12.056 24.641 22.880 1.00 15.00 C ATOM 407 O PHE A 64 12.587 23.739 23.528 1.00 15.00 O ATOM 408 CB PHE A 64 12.192 23.938 20.491 1.00 15.00 C ATOM 409 CG PHE A 64 12.490 24.315 19.059 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.571 25.080 18.332 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.684 23.899 18.458 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.847 25.431 17.004 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.960 24.250 17.131 1.00 15.00 C ATOM 414 CZ PHE A 64 13.041 25.015 16.403 1.00 15.00 C ATOM 0 H PHE A 64 14.561 24.330 21.413 1.00 15.00 H new ATOM 0 HA PHE A 64 12.130 25.970 21.207 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.724 23.019 20.735 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.127 23.725 20.589 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.649 25.400 18.795 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.393 23.307 19.018 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.138 26.023 16.444 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.882 23.930 16.669 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.253 25.284 15.379 1.00 15.00 H new ATOM 424 N TYR A 65 11.011 25.335 23.327 1.00 15.00 N ATOM 425 CA TYR A 65 10.352 25.001 24.588 1.00 15.00 C ATOM 426 C TYR A 65 8.878 24.709 24.329 1.00 15.00 C ATOM 427 O TYR A 65 8.260 25.343 23.478 1.00 15.00 O ATOM 428 CB TYR A 65 10.483 26.165 25.574 1.00 15.00 C ATOM 429 CG TYR A 65 10.064 25.810 26.981 1.00 15.00 C ATOM 430 CD1 TYR A 65 10.979 25.203 27.847 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.764 26.088 27.421 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.598 24.872 29.152 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.381 25.757 28.727 1.00 15.00 C ATOM 434 CZ TYR A 65 9.299 25.149 29.593 1.00 15.00 C ATOM 435 OH TYR A 65 8.926 24.821 30.882 1.00 15.00 O ATOM 0 H TYR A 65 10.603 26.130 22.836 1.00 15.00 H new ATOM 0 HA TYR A 65 10.828 24.119 25.018 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.518 26.506 25.586 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.877 27.000 25.222 1.00 15.00 H new ATOM 0 HD1 TYR A 65 11.982 24.989 27.508 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.057 26.558 26.753 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.306 24.403 29.819 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.378 25.970 29.066 1.00 15.00 H new ATOM 0 HH TYR A 65 8.014 25.138 31.049 1.00 15.00 H new ATOM 445 N THR A 66 8.315 23.749 25.058 1.00 15.00 N ATOM 446 CA THR A 66 6.932 23.334 24.828 1.00 15.00 C ATOM 447 C THR A 66 6.029 23.768 25.980 1.00 15.00 C ATOM 448 O THR A 66 6.426 23.738 27.144 1.00 15.00 O ATOM 449 CB THR A 66 6.872 21.811 24.677 1.00 15.00 C ATOM 450 OG1 THR A 66 7.775 21.405 23.659 1.00 15.00 O ATOM 451 CG2 THR A 66 5.452 21.376 24.303 1.00 15.00 C ATOM 0 H THR A 66 8.790 23.246 25.808 1.00 15.00 H new ATOM 0 HA THR A 66 6.578 23.813 23.915 1.00 15.00 H new ATOM 0 HB THR A 66 7.149 21.345 25.623 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.740 20.431 23.561 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.419 20.292 24.198 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.759 21.686 25.085 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.166 21.841 23.360 1.00 15.00 H new ATOM 459 N LEU A 67 4.808 24.170 25.637 1.00 15.00 N ATOM 460 CA LEU A 67 3.826 24.577 26.635 1.00 15.00 C ATOM 461 C LEU A 67 3.046 23.372 27.151 1.00 15.00 C ATOM 462 O LEU A 67 2.483 22.607 26.370 1.00 15.00 O ATOM 463 CB LEU A 67 2.850 25.578 26.011 1.00 15.00 C ATOM 464 CG LEU A 67 3.578 26.885 25.698 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.671 27.787 24.859 1.00 15.00 C ATOM 466 CD2 LEU A 67 3.930 27.598 27.008 1.00 15.00 C ATOM 0 H LEU A 67 4.476 24.222 24.674 1.00 15.00 H new ATOM 0 HA LEU A 67 4.353 25.037 27.471 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.422 25.162 25.099 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.022 25.767 26.694 1.00 15.00 H new ATOM 0 HG LEU A 67 4.490 26.668 25.142 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.190 28.719 24.636 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.416 27.282 23.927 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.759 28.004 25.415 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.449 28.530 26.787 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.016 27.814 27.562 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.575 26.957 27.609 1.00 15.00 H new ATOM 478 N LYS A 68 2.989 23.237 28.474 1.00 15.00 N ATOM 479 CA LYS A 68 2.259 22.138 29.103 1.00 15.00 C ATOM 480 C LYS A 68 1.216 22.682 30.073 1.00 15.00 C ATOM 481 O LYS A 68 1.407 23.734 30.684 1.00 15.00 O ATOM 482 CB LYS A 68 3.232 21.230 29.857 1.00 15.00 C ATOM 483 CG LYS A 68 4.282 20.683 28.885 1.00 15.00 C ATOM 484 CD LYS A 68 5.098 19.582 29.568 1.00 15.00 C ATOM 485 CE LYS A 68 5.895 20.173 30.734 1.00 15.00 C ATOM 486 NZ LYS A 68 6.728 19.106 31.357 1.00 15.00 N ATOM 0 H LYS A 68 3.439 23.874 29.131 1.00 15.00 H new ATOM 0 HA LYS A 68 1.756 21.564 28.325 1.00 15.00 H new ATOM 0 HB2 LYS A 68 3.718 21.787 30.658 1.00 15.00 H new ATOM 0 HB3 LYS A 68 2.690 20.407 30.324 1.00 15.00 H new ATOM 0 HG2 LYS A 68 3.795 20.287 27.994 1.00 15.00 H new ATOM 0 HG3 LYS A 68 4.941 21.487 28.557 1.00 15.00 H new ATOM 0 HD2 LYS A 68 4.434 18.797 29.930 1.00 15.00 H new ATOM 0 HD3 LYS A 68 5.776 19.120 28.850 1.00 15.00 H new ATOM 0 HE2 LYS A 68 6.530 20.985 30.380 1.00 15.00 H new ATOM 0 HE3 LYS A 68 5.217 20.598 31.474 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 7.270 19.507 32.149 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 6.112 18.345 31.708 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 7.385 18.720 30.649 1.00 15.00 H new ATOM 500 N THR A 69 0.121 21.947 30.240 1.00 15.00 N ATOM 501 CA THR A 69 -0.961 22.389 31.116 1.00 15.00 C ATOM 502 C THR A 69 -0.443 22.703 32.518 1.00 15.00 C ATOM 503 O THR A 69 0.342 21.945 33.086 1.00 15.00 O ATOM 504 CB THR A 69 -2.041 21.307 31.199 1.00 15.00 C ATOM 505 OG1 THR A 69 -3.069 21.735 32.080 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.428 20.006 31.719 1.00 15.00 C ATOM 0 H THR A 69 -0.041 21.049 29.784 1.00 15.00 H new ATOM 0 HA THR A 69 -1.385 23.300 30.694 1.00 15.00 H new ATOM 0 HB THR A 69 -2.459 21.135 30.207 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.762 21.045 32.133 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.199 19.238 31.777 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.640 19.679 31.041 1.00 15.00 H new ATOM 0 HG23 THR A 69 -1.007 20.173 32.711 1.00 15.00 H new ATOM 514 N GLY A 70 -0.893 23.827 33.067 1.00 15.00 N ATOM 515 CA GLY A 70 -0.470 24.247 34.403 1.00 15.00 C ATOM 516 C GLY A 70 0.502 25.429 34.360 1.00 15.00 C ATOM 517 O GLY A 70 0.584 26.196 35.319 1.00 15.00 O ATOM 0 H GLY A 70 -1.548 24.463 32.611 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.347 24.522 34.990 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.004 23.408 34.912 1.00 15.00 H new ATOM 521 N GLU A 71 1.236 25.583 33.259 1.00 15.00 N ATOM 522 CA GLU A 71 2.191 26.680 33.129 1.00 15.00 C ATOM 523 C GLU A 71 1.686 27.718 32.134 1.00 15.00 C ATOM 524 O GLU A 71 1.070 27.376 31.124 1.00 15.00 O ATOM 525 CB GLU A 71 3.541 26.142 32.652 1.00 15.00 C ATOM 526 CG GLU A 71 4.584 27.265 32.705 1.00 15.00 C ATOM 527 CD GLU A 71 5.938 26.818 32.142 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.054 25.691 31.682 1.00 15.00 O ATOM 529 OE2 GLU A 71 6.853 27.624 32.182 1.00 15.00 O ATOM 0 H GLU A 71 1.188 24.965 32.449 1.00 15.00 H new ATOM 0 HA GLU A 71 2.306 27.150 34.106 1.00 15.00 H new ATOM 0 HB2 GLU A 71 3.855 25.309 33.280 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.454 25.759 31.635 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.222 28.123 32.139 1.00 15.00 H new ATOM 0 HG3 GLU A 71 4.711 27.594 33.737 1.00 15.00 H new ATOM 536 N THR A 72 1.949 28.989 32.426 1.00 15.00 N ATOM 537 CA THR A 72 1.559 30.077 31.530 1.00 15.00 C ATOM 538 C THR A 72 2.799 30.761 30.966 1.00 15.00 C ATOM 539 O THR A 72 3.898 30.623 31.505 1.00 15.00 O ATOM 540 CB THR A 72 0.706 31.106 32.279 1.00 15.00 C ATOM 541 OG1 THR A 72 1.487 31.718 33.295 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.512 30.420 32.904 1.00 15.00 C ATOM 0 H THR A 72 2.429 29.292 33.273 1.00 15.00 H new ATOM 0 HA THR A 72 0.974 29.656 30.712 1.00 15.00 H new ATOM 0 HB THR A 72 0.362 31.867 31.578 1.00 15.00 H new ATOM 0 HG1 THR A 72 0.942 32.377 33.774 1.00 15.00 H new ATOM 0 HG21 THR A 72 -1.113 31.158 33.435 1.00 15.00 H new ATOM 0 HG22 THR A 72 -1.112 29.959 32.120 1.00 15.00 H new ATOM 0 HG23 THR A 72 -0.179 29.653 33.603 1.00 15.00 H new ATOM 550 N VAL A 73 2.619 31.517 29.888 1.00 15.00 N ATOM 551 CA VAL A 73 3.744 32.184 29.240 1.00 15.00 C ATOM 552 C VAL A 73 4.463 33.094 30.235 1.00 15.00 C ATOM 553 O VAL A 73 5.692 33.112 30.296 1.00 15.00 O ATOM 554 CB VAL A 73 3.247 32.998 28.037 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.428 33.662 27.321 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.525 32.072 27.056 1.00 15.00 C ATOM 0 H VAL A 73 1.714 31.683 29.447 1.00 15.00 H new ATOM 0 HA VAL A 73 4.448 31.430 28.889 1.00 15.00 H new ATOM 0 HB VAL A 73 2.564 33.769 28.393 1.00 15.00 H new ATOM 0 HG11 VAL A 73 4.061 34.236 26.470 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.945 34.328 28.012 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.119 32.895 26.971 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.172 32.650 26.202 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.213 31.299 26.712 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.675 31.606 27.554 1.00 15.00 H new ATOM 566 N ALA A 74 3.692 33.826 31.034 1.00 15.00 N ATOM 567 CA ALA A 74 4.279 34.750 31.997 1.00 15.00 C ATOM 568 C ALA A 74 5.155 34.005 33.000 1.00 15.00 C ATOM 569 O ALA A 74 6.251 34.457 33.332 1.00 15.00 O ATOM 570 CB ALA A 74 3.175 35.511 32.736 1.00 15.00 C ATOM 0 H ALA A 74 2.672 33.798 31.034 1.00 15.00 H new ATOM 0 HA ALA A 74 4.903 35.459 31.453 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.624 36.198 33.453 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.578 36.074 32.018 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.536 34.803 33.264 1.00 15.00 H new ATOM 576 N ASP A 75 4.688 32.847 33.462 1.00 15.00 N ATOM 577 CA ASP A 75 5.439 32.079 34.451 1.00 15.00 C ATOM 578 C ASP A 75 6.802 31.680 33.898 1.00 15.00 C ATOM 579 O ASP A 75 7.824 31.820 34.571 1.00 15.00 O ATOM 580 CB ASP A 75 4.659 30.821 34.849 1.00 15.00 C ATOM 581 CG ASP A 75 3.383 31.173 35.618 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.288 32.278 36.134 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.514 30.320 35.688 1.00 15.00 O ATOM 0 H ASP A 75 3.806 32.425 33.172 1.00 15.00 H new ATOM 0 HA ASP A 75 5.584 32.706 35.331 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.401 30.253 33.955 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.290 30.179 35.464 1.00 15.00 H new ATOM 588 N LEU A 76 6.817 31.206 32.656 1.00 15.00 N ATOM 589 CA LEU A 76 8.066 30.788 32.029 1.00 15.00 C ATOM 590 C LEU A 76 9.046 31.955 31.972 1.00 15.00 C ATOM 591 O LEU A 76 10.227 31.805 32.280 1.00 15.00 O ATOM 592 CB LEU A 76 7.789 30.276 30.612 1.00 15.00 C ATOM 593 CG LEU A 76 9.077 29.726 29.993 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.451 28.406 30.668 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.855 29.485 28.499 1.00 15.00 C ATOM 0 H LEU A 76 5.989 31.102 32.070 1.00 15.00 H new ATOM 0 HA LEU A 76 8.506 29.987 32.623 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.028 29.496 30.640 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.395 31.084 29.995 1.00 15.00 H new ATOM 0 HG LEU A 76 9.883 30.445 30.136 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.368 28.018 30.225 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.606 28.573 31.734 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.646 27.684 30.527 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.770 29.093 28.054 1.00 15.00 H new ATOM 0 HD22 LEU A 76 8.048 28.765 28.363 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.589 30.424 28.014 1.00 15.00 H new ATOM 607 N SER A 77 8.541 33.125 31.602 1.00 15.00 N ATOM 608 CA SER A 77 9.384 34.310 31.487 1.00 15.00 C ATOM 609 C SER A 77 10.037 34.653 32.820 1.00 15.00 C ATOM 610 O SER A 77 11.203 35.043 32.862 1.00 15.00 O ATOM 611 CB SER A 77 8.545 35.495 31.010 1.00 15.00 C ATOM 612 OG SER A 77 9.406 36.582 30.701 1.00 15.00 O ATOM 0 H SER A 77 7.558 33.279 31.377 1.00 15.00 H new ATOM 0 HA SER A 77 10.171 34.098 30.764 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.964 35.214 30.131 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.834 35.787 31.783 1.00 15.00 H new ATOM 0 HG SER A 77 9.772 36.955 31.530 1.00 15.00 H new ATOM 618 N LYS A 78 9.276 34.529 33.901 1.00 15.00 N ATOM 619 CA LYS A 78 9.790 34.853 35.227 1.00 15.00 C ATOM 620 C LYS A 78 10.954 33.939 35.600 1.00 15.00 C ATOM 621 O LYS A 78 11.985 34.400 36.086 1.00 15.00 O ATOM 622 CB LYS A 78 8.673 34.710 36.264 1.00 15.00 C ATOM 623 CG LYS A 78 9.169 35.200 37.626 1.00 15.00 C ATOM 624 CD LYS A 78 8.079 34.980 38.677 1.00 15.00 C ATOM 625 CE LYS A 78 8.511 35.610 40.002 1.00 15.00 C ATOM 626 NZ LYS A 78 8.347 37.089 39.926 1.00 15.00 N ATOM 0 H LYS A 78 8.308 34.209 33.887 1.00 15.00 H new ATOM 0 HA LYS A 78 10.149 35.882 35.213 1.00 15.00 H new ATOM 0 HB2 LYS A 78 7.801 35.286 35.955 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.359 33.668 36.334 1.00 15.00 H new ATOM 0 HG2 LYS A 78 10.075 34.664 37.909 1.00 15.00 H new ATOM 0 HG3 LYS A 78 9.428 36.257 37.571 1.00 15.00 H new ATOM 0 HD2 LYS A 78 7.141 35.422 38.341 1.00 15.00 H new ATOM 0 HD3 LYS A 78 7.899 33.913 38.811 1.00 15.00 H new ATOM 0 HE2 LYS A 78 7.913 35.209 40.820 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.550 35.359 40.214 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 8.443 37.498 40.877 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 9.077 37.488 39.302 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.406 37.315 39.545 1.00 15.00 H new ATOM 640 N SER A 79 10.779 32.642 35.368 1.00 15.00 N ATOM 641 CA SER A 79 11.814 31.671 35.704 1.00 15.00 C ATOM 642 C SER A 79 13.099 31.963 34.936 1.00 15.00 C ATOM 643 O SER A 79 14.197 31.892 35.488 1.00 15.00 O ATOM 644 CB SER A 79 11.331 30.258 35.373 1.00 15.00 C ATOM 645 OG SER A 79 12.268 29.315 35.874 1.00 15.00 O ATOM 0 H SER A 79 9.938 32.242 34.952 1.00 15.00 H new ATOM 0 HA SER A 79 12.020 31.746 36.772 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.350 30.083 35.814 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.221 30.142 34.295 1.00 15.00 H new ATOM 0 HG SER A 79 11.962 28.408 35.666 1.00 15.00 H new ATOM 651 N GLN A 80 12.949 32.293 33.658 1.00 15.00 N ATOM 652 CA GLN A 80 14.098 32.622 32.813 1.00 15.00 C ATOM 653 C GLN A 80 14.664 34.021 33.093 1.00 15.00 C ATOM 654 O GLN A 80 15.772 34.330 32.656 1.00 15.00 O ATOM 655 CB GLN A 80 13.692 32.531 31.342 1.00 15.00 C ATOM 656 CG GLN A 80 13.319 31.085 31.002 1.00 15.00 C ATOM 657 CD GLN A 80 12.828 30.981 29.560 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.457 31.983 28.947 1.00 15.00 O ATOM 659 NE2 GLN A 80 12.804 29.814 28.977 1.00 15.00 N ATOM 0 H GLN A 80 12.048 32.341 33.183 1.00 15.00 H new ATOM 0 HA GLN A 80 14.882 31.901 33.046 1.00 15.00 H new ATOM 0 HB2 GLN A 80 12.847 33.191 31.146 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.512 32.865 30.706 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.184 30.438 31.145 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.543 30.734 31.682 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.111 28.984 29.484 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.478 29.732 28.014 1.00 15.00 H new ATOM 668 N ASP A 81 13.914 34.867 33.800 1.00 15.00 N ATOM 669 CA ASP A 81 14.356 36.230 34.079 1.00 15.00 C ATOM 670 C ASP A 81 14.503 37.018 32.779 1.00 15.00 C ATOM 671 O ASP A 81 15.464 37.763 32.586 1.00 15.00 O ATOM 672 CB ASP A 81 15.684 36.209 34.842 1.00 15.00 C ATOM 673 CG ASP A 81 15.991 37.601 35.386 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.486 37.926 36.448 1.00 15.00 O ATOM 675 OD2 ASP A 81 16.728 38.322 34.733 1.00 15.00 O ATOM 0 H ASP A 81 13.001 34.632 34.188 1.00 15.00 H new ATOM 0 HA ASP A 81 13.605 36.721 34.698 1.00 15.00 H new ATOM 0 HB2 ASP A 81 15.632 35.492 35.661 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.487 35.881 34.182 1.00 15.00 H new ATOM 680 N ILE A 82 13.528 36.850 31.889 1.00 15.00 N ATOM 681 CA ILE A 82 13.515 37.565 30.616 1.00 15.00 C ATOM 682 C ILE A 82 12.329 38.525 30.579 1.00 15.00 C ATOM 683 O ILE A 82 11.256 38.216 31.096 1.00 15.00 O ATOM 684 CB ILE A 82 13.420 36.570 29.452 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.582 35.575 29.526 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.491 37.323 28.119 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.393 34.484 28.469 1.00 15.00 C ATOM 0 H ILE A 82 12.735 36.223 32.027 1.00 15.00 H new ATOM 0 HA ILE A 82 14.440 38.133 30.517 1.00 15.00 H new ATOM 0 HB ILE A 82 12.473 36.035 29.521 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.528 36.092 29.364 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.629 35.129 30.519 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.423 36.612 27.295 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.664 38.031 28.056 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.436 37.862 28.056 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.221 33.777 28.524 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.455 33.959 28.651 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.368 34.938 27.478 1.00 15.00 H new ATOM 699 N ASN A 83 12.529 39.692 29.975 1.00 15.00 N ATOM 700 CA ASN A 83 11.468 40.690 29.901 1.00 15.00 C ATOM 701 C ASN A 83 10.363 40.232 28.954 1.00 15.00 C ATOM 702 O ASN A 83 10.630 39.763 27.846 1.00 15.00 O ATOM 703 CB ASN A 83 12.039 42.023 29.414 1.00 15.00 C ATOM 704 CG ASN A 83 13.055 42.562 30.417 1.00 15.00 C ATOM 705 OD1 ASN A 83 13.024 42.204 31.594 1.00 15.00 O ATOM 706 ND2 ASN A 83 13.964 43.409 30.017 1.00 15.00 N ATOM 0 H ASN A 83 13.406 39.968 29.534 1.00 15.00 H new ATOM 0 HA ASN A 83 11.046 40.817 30.898 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.513 41.890 28.442 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.233 42.744 29.279 1.00 15.00 H new ATOM 0 HD21 ASN A 83 14.648 43.774 30.680 1.00 15.00 H new ATOM 0 HD22 ASN A 83 13.990 43.706 29.042 1.00 15.00 H new ATOM 713 N LEU A 84 9.116 40.384 29.389 1.00 15.00 N ATOM 714 CA LEU A 84 7.981 39.979 28.566 1.00 15.00 C ATOM 715 C LEU A 84 8.008 40.692 27.216 1.00 15.00 C ATOM 716 O LEU A 84 7.695 40.094 26.186 1.00 15.00 O ATOM 717 CB LEU A 84 6.665 40.294 29.285 1.00 15.00 C ATOM 718 CG LEU A 84 6.598 39.539 30.616 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.334 39.955 31.374 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.549 38.032 30.352 1.00 15.00 C ATOM 0 H LEU A 84 8.867 40.780 30.296 1.00 15.00 H new ATOM 0 HA LEU A 84 8.053 38.905 28.397 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.586 41.367 29.462 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.821 40.012 28.655 1.00 15.00 H new ATOM 0 HG LEU A 84 7.481 39.778 31.209 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.285 39.418 32.322 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.361 41.028 31.565 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.455 39.715 30.775 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.501 37.498 31.301 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.667 37.795 29.758 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.444 37.728 29.809 1.00 15.00 H new ATOM 732 N SER A 85 8.408 41.961 27.216 1.00 15.00 N ATOM 733 CA SER A 85 8.455 42.733 25.979 1.00 15.00 C ATOM 734 C SER A 85 9.391 42.070 24.973 1.00 15.00 C ATOM 735 O SER A 85 9.058 41.935 23.796 1.00 15.00 O ATOM 736 CB SER A 85 8.937 44.155 26.268 1.00 15.00 C ATOM 737 OG SER A 85 8.794 44.943 25.094 1.00 15.00 O ATOM 0 H SER A 85 8.701 42.471 28.049 1.00 15.00 H new ATOM 0 HA SER A 85 7.451 42.771 25.556 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.360 44.589 27.084 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.979 44.141 26.587 1.00 15.00 H new ATOM 0 HG SER A 85 9.100 45.856 25.274 1.00 15.00 H new ATOM 743 N THR A 86 10.552 41.632 25.448 1.00 15.00 N ATOM 744 CA THR A 86 11.534 41.006 24.569 1.00 15.00 C ATOM 745 C THR A 86 10.968 39.731 23.946 1.00 15.00 C ATOM 746 O THR A 86 11.082 39.509 22.739 1.00 15.00 O ATOM 747 CB THR A 86 12.801 40.672 25.359 1.00 15.00 C ATOM 748 OG1 THR A 86 13.266 41.841 26.018 1.00 15.00 O ATOM 749 CG2 THR A 86 13.882 40.159 24.407 1.00 15.00 C ATOM 0 H THR A 86 10.835 41.697 26.426 1.00 15.00 H new ATOM 0 HA THR A 86 11.776 41.707 23.770 1.00 15.00 H new ATOM 0 HB THR A 86 12.576 39.901 26.096 1.00 15.00 H new ATOM 0 HG1 THR A 86 14.077 41.629 26.526 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.783 39.922 24.973 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.525 39.262 23.901 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.110 40.927 23.667 1.00 15.00 H new ATOM 757 N ILE A 87 10.325 38.910 24.769 1.00 15.00 N ATOM 758 CA ILE A 87 9.781 37.642 24.293 1.00 15.00 C ATOM 759 C ILE A 87 8.795 37.890 23.155 1.00 15.00 C ATOM 760 O ILE A 87 8.835 37.218 22.127 1.00 15.00 O ATOM 761 CB ILE A 87 9.086 36.901 25.444 1.00 15.00 C ATOM 762 CG1 ILE A 87 10.085 36.677 26.583 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.573 35.541 24.960 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.360 36.098 27.800 1.00 15.00 C ATOM 0 H ILE A 87 10.168 39.096 25.760 1.00 15.00 H new ATOM 0 HA ILE A 87 10.599 37.024 23.921 1.00 15.00 H new ATOM 0 HB ILE A 87 8.247 37.502 25.795 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.873 35.997 26.260 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.566 37.619 26.848 1.00 15.00 H new ATOM 0 HG21 ILE A 87 8.082 35.023 25.784 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.861 35.689 24.148 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.411 34.942 24.603 1.00 15.00 H new ATOM 0 HD11 ILE A 87 10.074 35.940 28.608 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.588 36.794 28.129 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.900 35.147 27.531 1.00 15.00 H new ATOM 776 N TRP A 88 7.921 38.872 23.342 1.00 15.00 N ATOM 777 CA TRP A 88 6.934 39.204 22.321 1.00 15.00 C ATOM 778 C TRP A 88 7.604 39.609 21.011 1.00 15.00 C ATOM 779 O TRP A 88 7.244 39.113 19.945 1.00 15.00 O ATOM 780 CB TRP A 88 6.039 40.346 22.804 1.00 15.00 C ATOM 781 CG TRP A 88 4.953 40.695 21.837 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.766 40.055 21.737 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.936 41.749 20.831 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.019 40.651 20.738 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.696 41.699 20.148 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.864 42.733 20.448 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.390 42.595 19.121 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.560 43.636 19.417 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.327 43.568 18.755 1.00 15.00 C ATOM 0 H TRP A 88 7.875 39.448 24.183 1.00 15.00 H new ATOM 0 HA TRP A 88 6.332 38.313 22.142 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.591 40.069 23.758 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.653 41.228 22.984 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.453 39.215 22.339 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.081 40.352 20.470 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.818 42.795 20.951 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.438 42.537 18.614 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.281 44.388 19.132 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.100 44.266 17.963 1.00 15.00 H new ATOM 800 N SER A 89 8.606 40.480 21.091 1.00 15.00 N ATOM 801 CA SER A 89 9.254 40.992 19.887 1.00 15.00 C ATOM 802 C SER A 89 9.765 39.855 19.004 1.00 15.00 C ATOM 803 O SER A 89 9.670 39.925 17.779 1.00 15.00 O ATOM 804 CB SER A 89 10.423 41.901 20.272 1.00 15.00 C ATOM 805 OG SER A 89 11.453 41.115 20.855 1.00 15.00 O ATOM 0 H SER A 89 8.984 40.843 21.966 1.00 15.00 H new ATOM 0 HA SER A 89 8.513 41.559 19.323 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.800 42.421 19.392 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.090 42.664 20.975 1.00 15.00 H new ATOM 0 HG SER A 89 11.179 40.830 21.752 1.00 15.00 H new ATOM 811 N LEU A 90 10.305 38.812 19.628 1.00 15.00 N ATOM 812 CA LEU A 90 10.803 37.664 18.874 1.00 15.00 C ATOM 813 C LEU A 90 9.656 36.835 18.296 1.00 15.00 C ATOM 814 O LEU A 90 9.606 36.580 17.092 1.00 15.00 O ATOM 815 CB LEU A 90 11.658 36.781 19.786 1.00 15.00 C ATOM 816 CG LEU A 90 12.829 37.592 20.344 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.594 36.748 21.365 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.772 37.981 19.204 1.00 15.00 C ATOM 0 H LEU A 90 10.409 38.737 20.640 1.00 15.00 H new ATOM 0 HA LEU A 90 11.404 38.040 18.046 1.00 15.00 H new ATOM 0 HB2 LEU A 90 11.051 36.392 20.604 1.00 15.00 H new ATOM 0 HB3 LEU A 90 12.032 35.922 19.229 1.00 15.00 H new ATOM 0 HG LEU A 90 12.447 38.492 20.825 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.428 37.326 21.763 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.926 36.468 22.179 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.974 35.848 20.882 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.606 38.559 19.603 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.152 37.080 18.723 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.231 38.582 18.473 1.00 15.00 H new ATOM 830 N ASN A 91 8.719 36.437 19.152 1.00 15.00 N ATOM 831 CA ASN A 91 7.633 35.551 18.730 1.00 15.00 C ATOM 832 C ASN A 91 6.428 36.294 18.140 1.00 15.00 C ATOM 833 O ASN A 91 5.386 35.684 17.902 1.00 15.00 O ATOM 834 CB ASN A 91 7.170 34.709 19.921 1.00 15.00 C ATOM 835 CG ASN A 91 8.302 33.797 20.380 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.209 32.575 20.258 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.377 34.317 20.904 1.00 15.00 N ATOM 0 H ASN A 91 8.687 36.710 20.134 1.00 15.00 H new ATOM 0 HA ASN A 91 8.036 34.923 17.936 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.860 35.359 20.739 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.301 34.113 19.641 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.138 33.712 21.212 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.456 35.329 21.006 1.00 15.00 H new ATOM 844 N LYS A 92 6.550 37.600 17.909 1.00 15.00 N ATOM 845 CA LYS A 92 5.468 38.370 17.299 1.00 15.00 C ATOM 846 C LYS A 92 4.953 37.722 16.010 1.00 15.00 C ATOM 847 O LYS A 92 3.786 37.888 15.655 1.00 15.00 O ATOM 848 CB LYS A 92 5.942 39.808 17.042 1.00 15.00 C ATOM 849 CG LYS A 92 7.019 39.844 15.950 1.00 15.00 C ATOM 850 CD LYS A 92 7.557 41.268 15.810 1.00 15.00 C ATOM 851 CE LYS A 92 8.391 41.378 14.532 1.00 15.00 C ATOM 852 NZ LYS A 92 7.515 41.166 13.346 1.00 15.00 N ATOM 0 H LYS A 92 7.383 38.145 18.134 1.00 15.00 H new ATOM 0 HA LYS A 92 4.629 38.386 17.995 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.095 40.426 16.743 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.339 40.234 17.963 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.830 39.161 16.202 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.601 39.507 15.001 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.731 41.978 15.779 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.166 41.524 16.677 1.00 15.00 H new ATOM 0 HE2 LYS A 92 8.864 42.359 14.477 1.00 15.00 H new ATOM 0 HE3 LYS A 92 9.191 40.638 14.543 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 7.915 41.664 12.525 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 7.453 40.149 13.137 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 6.564 41.537 13.546 1.00 15.00 H new ATOM 866 N HIS A 93 5.824 37.003 15.302 1.00 15.00 N ATOM 867 CA HIS A 93 5.419 36.343 14.066 1.00 15.00 C ATOM 868 C HIS A 93 4.539 35.125 14.352 1.00 15.00 C ATOM 869 O HIS A 93 3.605 34.840 13.600 1.00 15.00 O ATOM 870 CB HIS A 93 6.653 35.941 13.249 1.00 15.00 C ATOM 871 CG HIS A 93 7.446 34.794 13.820 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.427 34.967 14.786 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.433 33.448 13.540 1.00 15.00 C ATOM 874 CE1 HIS A 93 8.959 33.759 15.046 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.389 32.798 14.315 1.00 15.00 N ATOM 0 H HIS A 93 6.801 36.865 15.560 1.00 15.00 H new ATOM 0 HA HIS A 93 4.828 37.049 13.482 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.333 35.676 12.241 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.308 36.807 13.158 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.696 35.850 15.220 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.780 32.968 12.827 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.751 33.587 15.760 1.00 15.00 H new ATOM 883 N LEU A 94 4.835 34.408 15.433 1.00 15.00 N ATOM 884 CA LEU A 94 4.066 33.217 15.782 1.00 15.00 C ATOM 885 C LEU A 94 2.662 33.580 16.262 1.00 15.00 C ATOM 886 O LEU A 94 1.683 32.939 15.880 1.00 15.00 O ATOM 887 CB LEU A 94 4.781 32.432 16.885 1.00 15.00 C ATOM 888 CG LEU A 94 6.185 32.038 16.421 1.00 15.00 C ATOM 889 CD1 LEU A 94 6.926 31.350 17.569 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.088 31.072 15.236 1.00 15.00 C ATOM 0 H LEU A 94 5.595 34.628 16.077 1.00 15.00 H new ATOM 0 HA LEU A 94 3.982 32.606 14.883 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.844 33.036 17.790 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.208 31.539 17.137 1.00 15.00 H new ATOM 0 HG LEU A 94 6.726 32.934 16.116 1.00 15.00 H new ATOM 0 HD11 LEU A 94 7.926 31.069 17.240 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.001 32.033 18.415 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.379 30.457 17.872 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.090 30.795 14.910 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.545 30.177 15.540 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.560 31.556 14.414 1.00 15.00 H new ATOM 902 N TYR A 95 2.568 34.610 17.101 1.00 15.00 N ATOM 903 CA TYR A 95 1.284 35.016 17.670 1.00 15.00 C ATOM 904 C TYR A 95 0.915 36.429 17.229 1.00 15.00 C ATOM 905 O TYR A 95 1.782 37.279 17.038 1.00 15.00 O ATOM 906 CB TYR A 95 1.357 34.956 19.197 1.00 15.00 C ATOM 907 CG TYR A 95 1.696 33.580 19.722 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.695 32.608 19.832 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.010 33.278 20.099 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.008 31.332 20.316 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.323 32.001 20.583 1.00 15.00 C ATOM 912 CZ TYR A 95 2.321 31.028 20.692 1.00 15.00 C ATOM 913 OH TYR A 95 2.626 29.770 21.171 1.00 15.00 O ATOM 0 H TYR A 95 3.362 35.176 17.401 1.00 15.00 H new ATOM 0 HA TYR A 95 0.516 34.332 17.311 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.106 35.666 19.547 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.400 35.271 19.613 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.319 32.842 19.543 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.782 34.029 20.017 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.235 30.582 20.399 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.337 31.767 20.872 1.00 15.00 H new ATOM 0 HH TYR A 95 3.512 29.503 20.849 1.00 15.00 H new ATOM 923 N SER A 96 -0.384 36.674 17.087 1.00 15.00 N ATOM 924 CA SER A 96 -0.866 37.958 16.591 1.00 15.00 C ATOM 925 C SER A 96 -0.671 39.070 17.618 1.00 15.00 C ATOM 926 O SER A 96 -0.278 40.183 17.267 1.00 15.00 O ATOM 927 CB SER A 96 -2.348 37.851 16.234 1.00 15.00 C ATOM 928 OG SER A 96 -2.532 36.783 15.315 1.00 15.00 O ATOM 0 H SER A 96 -1.119 36.003 17.308 1.00 15.00 H new ATOM 0 HA SER A 96 -0.284 38.210 15.704 1.00 15.00 H new ATOM 0 HB2 SER A 96 -2.939 37.679 17.133 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.697 38.787 15.797 1.00 15.00 H new ATOM 0 HG SER A 96 -3.482 36.710 15.085 1.00 15.00 H new ATOM 934 N SER A 97 -0.946 38.768 18.884 1.00 15.00 N ATOM 935 CA SER A 97 -0.884 39.790 19.926 1.00 15.00 C ATOM 936 C SER A 97 -0.535 39.182 21.281 1.00 15.00 C ATOM 937 O SER A 97 -0.520 37.963 21.445 1.00 15.00 O ATOM 938 CB SER A 97 -2.228 40.512 20.024 1.00 15.00 C ATOM 939 OG SER A 97 -3.195 39.625 20.568 1.00 15.00 O ATOM 0 H SER A 97 -1.210 37.839 19.211 1.00 15.00 H new ATOM 0 HA SER A 97 -0.100 40.498 19.656 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.134 41.397 20.653 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.544 40.854 19.038 1.00 15.00 H new ATOM 0 HG SER A 97 -4.059 40.083 20.635 1.00 15.00 H new ATOM 945 N GLU A 98 -0.253 40.051 22.248 1.00 15.00 N ATOM 946 CA GLU A 98 0.100 39.609 23.593 1.00 15.00 C ATOM 947 C GLU A 98 -1.032 38.811 24.236 1.00 15.00 C ATOM 948 O GLU A 98 -0.784 37.870 24.989 1.00 15.00 O ATOM 949 CB GLU A 98 0.419 40.821 24.471 1.00 15.00 C ATOM 950 CG GLU A 98 1.659 41.542 23.927 1.00 15.00 C ATOM 951 CD GLU A 98 2.067 42.721 24.816 1.00 15.00 C ATOM 952 OE1 GLU A 98 1.311 43.090 25.703 1.00 15.00 O ATOM 953 OE2 GLU A 98 3.146 43.245 24.591 1.00 15.00 O ATOM 0 H GLU A 98 -0.262 41.064 22.125 1.00 15.00 H new ATOM 0 HA GLU A 98 0.974 38.963 23.511 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.431 41.503 24.489 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.594 40.502 25.499 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.487 40.837 23.855 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.457 41.901 22.918 1.00 15.00 H new ATOM 960 N SER A 99 -2.277 39.182 23.941 1.00 15.00 N ATOM 961 CA SER A 99 -3.424 38.513 24.548 1.00 15.00 C ATOM 962 C SER A 99 -3.381 37.012 24.281 1.00 15.00 C ATOM 963 O SER A 99 -3.567 36.202 25.189 1.00 15.00 O ATOM 964 CB SER A 99 -4.723 39.095 23.989 1.00 15.00 C ATOM 965 OG SER A 99 -5.822 38.578 24.729 1.00 15.00 O ATOM 0 H SER A 99 -2.515 39.933 23.293 1.00 15.00 H new ATOM 0 HA SER A 99 -3.384 38.677 25.625 1.00 15.00 H new ATOM 0 HB2 SER A 99 -4.705 40.183 24.053 1.00 15.00 H new ATOM 0 HB3 SER A 99 -4.826 38.839 22.934 1.00 15.00 H new ATOM 0 HG SER A 99 -6.658 38.949 24.376 1.00 15.00 H new ATOM 971 N GLU A 100 -3.091 36.644 23.038 1.00 15.00 N ATOM 972 CA GLU A 100 -3.009 35.234 22.673 1.00 15.00 C ATOM 973 C GLU A 100 -1.910 34.520 23.461 1.00 15.00 C ATOM 974 O GLU A 100 -2.054 33.345 23.802 1.00 15.00 O ATOM 975 CB GLU A 100 -2.756 35.098 21.170 1.00 15.00 C ATOM 976 CG GLU A 100 -3.978 35.624 20.408 1.00 15.00 C ATOM 977 CD GLU A 100 -3.823 35.449 18.895 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.718 35.206 18.434 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.821 35.594 18.208 1.00 15.00 O ATOM 0 H GLU A 100 -2.910 37.294 22.273 1.00 15.00 H new ATOM 0 HA GLU A 100 -3.960 34.762 22.922 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.865 35.659 20.886 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.572 34.055 20.912 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.871 35.098 20.745 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.124 36.679 20.639 1.00 15.00 H new ATOM 986 N MET A 101 -0.817 35.224 23.748 1.00 15.00 N ATOM 987 CA MET A 101 0.283 34.629 24.499 1.00 15.00 C ATOM 988 C MET A 101 -0.163 34.267 25.913 1.00 15.00 C ATOM 989 O MET A 101 -0.002 33.130 26.353 1.00 15.00 O ATOM 990 CB MET A 101 1.453 35.612 24.567 1.00 15.00 C ATOM 991 CG MET A 101 1.985 35.877 23.158 1.00 15.00 C ATOM 992 SD MET A 101 3.491 36.877 23.257 1.00 15.00 S ATOM 993 CE MET A 101 4.586 35.586 23.896 1.00 15.00 C ATOM 0 H MET A 101 -0.671 36.196 23.475 1.00 15.00 H new ATOM 0 HA MET A 101 0.598 33.719 23.989 1.00 15.00 H new ATOM 0 HB2 MET A 101 1.130 36.546 25.026 1.00 15.00 H new ATOM 0 HB3 MET A 101 2.246 35.206 25.195 1.00 15.00 H new ATOM 0 HG2 MET A 101 2.195 34.934 22.654 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.231 36.394 22.565 1.00 15.00 H new ATOM 0 HE1 MET A 101 4.860 35.818 24.925 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.073 34.625 23.864 1.00 15.00 H new ATOM 0 HE3 MET A 101 5.486 35.537 23.284 1.00 15.00 H new ATOM 1003 N MET A 102 -0.787 35.219 26.598 1.00 15.00 N ATOM 1004 CA MET A 102 -1.221 34.996 27.975 1.00 15.00 C ATOM 1005 C MET A 102 -2.226 33.848 28.064 1.00 15.00 C ATOM 1006 O MET A 102 -2.217 33.081 29.027 1.00 15.00 O ATOM 1007 CB MET A 102 -1.847 36.271 28.542 1.00 15.00 C ATOM 1008 CG MET A 102 -0.777 37.359 28.652 1.00 15.00 C ATOM 1009 SD MET A 102 -1.445 38.788 29.541 1.00 15.00 S ATOM 1010 CE MET A 102 -2.796 39.168 28.399 1.00 15.00 C ATOM 0 H MET A 102 -1.003 36.145 26.228 1.00 15.00 H new ATOM 0 HA MET A 102 -0.342 34.728 28.561 1.00 15.00 H new ATOM 0 HB2 MET A 102 -2.659 36.608 27.897 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.280 36.071 29.522 1.00 15.00 H new ATOM 0 HG2 MET A 102 0.097 36.971 29.174 1.00 15.00 H new ATOM 0 HG3 MET A 102 -0.447 37.659 27.658 1.00 15.00 H new ATOM 0 HE1 MET A 102 -3.201 40.153 28.630 1.00 15.00 H new ATOM 0 HE2 MET A 102 -2.421 39.160 27.376 1.00 15.00 H new ATOM 0 HE3 MET A 102 -3.582 38.420 28.503 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.089 33.734 27.060 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.114 32.690 27.051 1.00 15.00 C ATOM 1022 C LYS A 103 -3.647 31.404 26.358 1.00 15.00 C ATOM 1023 O LYS A 103 -4.471 30.554 26.024 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.364 33.212 26.341 1.00 15.00 C ATOM 1025 CG LYS A 103 -5.948 34.387 27.129 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.105 35.009 26.343 1.00 15.00 C ATOM 1027 CE LYS A 103 -8.282 34.033 26.285 1.00 15.00 C ATOM 1028 NZ LYS A 103 -8.121 33.130 25.111 1.00 15.00 N ATOM 0 H LYS A 103 -3.102 34.347 26.245 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.329 32.443 28.091 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.114 33.528 25.328 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.104 32.416 26.253 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.299 34.046 28.103 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.176 35.135 27.312 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.417 35.940 26.815 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -6.778 35.257 25.333 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -8.329 33.448 27.204 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -9.220 34.582 26.209 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -8.972 33.180 24.516 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -7.293 33.426 24.556 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -7.985 32.153 25.441 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.340 31.251 26.138 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.815 30.063 25.473 1.00 15.00 C ATOM 1044 C ALA A 104 -2.272 28.791 26.181 1.00 15.00 C ATOM 1045 O ALA A 104 -2.454 28.772 27.398 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.286 30.112 25.450 1.00 15.00 C ATOM 0 H ALA A 104 -1.631 31.932 26.410 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.198 30.049 24.453 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.099 29.222 24.952 1.00 15.00 H new ATOM 0 HB2 ALA A 104 0.041 31.000 24.910 1.00 15.00 H new ATOM 0 HB3 ALA A 104 0.092 30.149 26.472 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.455 27.729 25.400 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.907 26.448 25.937 1.00 15.00 C ATOM 1054 C ALA A 105 -1.878 25.352 25.645 1.00 15.00 C ATOM 1055 O ALA A 105 -0.946 25.578 24.872 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.250 26.066 25.310 1.00 15.00 C ATOM 0 H ALA A 105 -2.297 27.730 24.392 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.023 26.546 27.016 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.582 25.110 25.715 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -4.990 26.833 25.539 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.136 25.983 24.229 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.014 24.181 26.234 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.028 23.077 26.013 1.00 15.00 C ATOM 1064 C PRO A 106 -0.930 22.671 24.544 1.00 15.00 C ATOM 1065 O PRO A 106 -1.918 22.711 23.811 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.546 21.912 26.867 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.496 22.516 27.842 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.081 23.749 27.159 1.00 15.00 C ATOM 0 HA PRO A 106 -0.021 23.387 26.291 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.043 21.164 26.249 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.727 21.408 27.380 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.282 21.809 28.109 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.985 22.788 28.766 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.001 23.511 26.625 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.324 24.529 27.881 1.00 15.00 H new ATOM 1076 N GLY A 107 0.270 22.281 24.123 1.00 15.00 N ATOM 1077 CA GLY A 107 0.479 21.808 22.755 1.00 15.00 C ATOM 1078 C GLY A 107 1.146 22.848 21.850 1.00 15.00 C ATOM 1079 O GLY A 107 1.636 22.498 20.775 1.00 15.00 O ATOM 0 H GLY A 107 1.108 22.282 24.704 1.00 15.00 H new ATOM 0 HA2 GLY A 107 1.095 20.909 22.779 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.482 21.525 22.325 1.00 15.00 H new ATOM 1083 N GLN A 108 1.170 24.115 22.264 1.00 15.00 N ATOM 1084 CA GLN A 108 1.785 25.160 21.451 1.00 15.00 C ATOM 1085 C GLN A 108 3.279 25.257 21.736 1.00 15.00 C ATOM 1086 O GLN A 108 3.743 24.871 22.808 1.00 15.00 O ATOM 1087 CB GLN A 108 1.109 26.508 21.712 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.334 26.452 21.205 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.009 27.805 21.399 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.515 28.093 22.482 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.047 28.654 20.409 1.00 15.00 N ATOM 0 H GLN A 108 0.775 24.438 23.147 1.00 15.00 H new ATOM 0 HA GLN A 108 1.650 24.898 20.402 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.124 26.736 22.778 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.654 27.306 21.207 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.347 26.178 20.150 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.887 25.681 21.741 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.626 28.411 19.512 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.498 29.561 20.532 1.00 15.00 H new ATOM 1100 N GLN A 109 4.031 25.766 20.763 1.00 15.00 N ATOM 1101 CA GLN A 109 5.483 25.864 20.896 1.00 15.00 C ATOM 1102 C GLN A 109 5.917 27.317 21.058 1.00 15.00 C ATOM 1103 O GLN A 109 5.241 28.239 20.599 1.00 15.00 O ATOM 1104 CB GLN A 109 6.162 25.277 19.652 1.00 15.00 C ATOM 1105 CG GLN A 109 5.697 23.837 19.404 1.00 15.00 C ATOM 1106 CD GLN A 109 6.001 22.951 20.609 1.00 15.00 C ATOM 1107 OE1 GLN A 109 5.070 22.168 21.082 1.00 15.00 O flip ATOM 1108 NE2 GLN A 109 7.117 22.971 21.131 1.00 15.00 N flip ATOM 0 H GLN A 109 3.662 26.115 19.879 1.00 15.00 H new ATOM 0 HA GLN A 109 5.780 25.304 21.783 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.932 25.893 18.782 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.244 25.297 19.780 1.00 15.00 H new ATOM 0 HG2 GLN A 109 4.626 23.826 19.201 1.00 15.00 H new ATOM 0 HG3 GLN A 109 6.193 23.438 18.520 1.00 15.00 H new ATOM 0 HE21 GLN A 109 7.843 23.584 20.759 1.00 15.00 H new ATOM 0 HE22 GLN A 109 7.315 22.375 21.935 1.00 15.00 H new ATOM 1117 N ILE A 110 7.029 27.507 21.761 1.00 15.00 N ATOM 1118 CA ILE A 110 7.645 28.822 21.902 1.00 15.00 C ATOM 1119 C ILE A 110 9.101 28.742 21.448 1.00 15.00 C ATOM 1120 O ILE A 110 9.803 27.788 21.780 1.00 15.00 O ATOM 1121 CB ILE A 110 7.572 29.280 23.364 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.108 29.329 23.812 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.192 30.675 23.507 1.00 15.00 C ATOM 1124 CD1 ILE A 110 6.030 29.493 25.331 1.00 15.00 C ATOM 0 H ILE A 110 7.526 26.760 22.246 1.00 15.00 H new ATOM 0 HA ILE A 110 7.111 29.545 21.285 1.00 15.00 H new ATOM 0 HB ILE A 110 8.124 28.575 23.986 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.597 30.158 23.322 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.596 28.415 23.510 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.136 30.993 24.548 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.235 30.643 23.193 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.646 31.382 22.882 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.985 29.527 25.640 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.524 28.650 25.814 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.525 30.419 25.623 1.00 15.00 H new ATOM 1136 N ILE A 111 9.556 29.744 20.700 1.00 15.00 N ATOM 1137 CA ILE A 111 10.935 29.757 20.214 1.00 15.00 C ATOM 1138 C ILE A 111 11.756 30.789 20.981 1.00 15.00 C ATOM 1139 O ILE A 111 11.335 31.933 21.152 1.00 15.00 O ATOM 1140 CB ILE A 111 10.974 30.076 18.714 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.097 29.080 17.948 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.414 29.966 18.201 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.001 29.502 16.480 1.00 15.00 C ATOM 0 H ILE A 111 8.998 30.550 20.419 1.00 15.00 H new ATOM 0 HA ILE A 111 11.364 28.768 20.375 1.00 15.00 H new ATOM 0 HB ILE A 111 10.602 31.089 18.558 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.519 28.078 18.022 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.102 29.041 18.391 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.439 30.193 17.135 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.046 30.673 18.738 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.782 28.953 18.365 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.377 28.792 15.937 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.560 30.497 16.415 1.00 15.00 H new ATOM 0 HD13 ILE A 111 10.998 29.518 16.040 1.00 15.00 H new ATOM 1155 N LEU A 112 12.928 30.368 21.444 1.00 15.00 N ATOM 1156 CA LEU A 112 13.853 31.263 22.130 1.00 15.00 C ATOM 1157 C LEU A 112 15.167 31.349 21.347 1.00 15.00 C ATOM 1158 O LEU A 112 16.031 30.488 21.524 1.00 15.00 O ATOM 1159 CB LEU A 112 14.136 30.732 23.536 1.00 15.00 C ATOM 1160 CG LEU A 112 12.879 30.869 24.396 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.016 29.997 25.646 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.705 32.332 24.812 1.00 15.00 C ATOM 0 H LEU A 112 13.261 29.408 21.356 1.00 15.00 H new ATOM 0 HA LEU A 112 13.405 32.254 22.198 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.444 29.687 23.487 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.960 31.286 23.986 1.00 15.00 H new ATOM 0 HG LEU A 112 12.010 30.546 23.823 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.120 30.095 26.258 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.141 28.955 25.351 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.885 30.318 26.220 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.809 32.432 25.425 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.575 32.653 25.385 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.607 32.954 23.922 1.00 15.00 H new ATOM 1174 N PRO A 113 15.322 32.303 20.453 1.00 15.00 N ATOM 1175 CA PRO A 113 16.593 32.448 19.683 1.00 15.00 C ATOM 1176 C PRO A 113 17.662 33.200 20.472 1.00 15.00 C ATOM 1177 O PRO A 113 17.557 34.408 20.683 1.00 15.00 O ATOM 1178 CB PRO A 113 16.177 33.235 18.442 1.00 15.00 C ATOM 1179 CG PRO A 113 15.021 34.071 18.879 1.00 15.00 C ATOM 1180 CD PRO A 113 14.344 33.329 20.033 1.00 15.00 C ATOM 0 HA PRO A 113 17.042 31.482 19.450 1.00 15.00 H new ATOM 0 HB2 PRO A 113 16.995 33.855 18.076 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.895 32.567 17.628 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.357 35.057 19.199 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.323 34.224 18.056 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.106 34.007 20.853 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.407 32.874 19.714 1.00 15.00 H new