USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 727 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.89 K(o=-0.89,f=-4.9!) USER MOD Single : A 45 GLN : amide:sc= -1.72 K(o=-1.7,f=-5.9!) USER MOD Single : A 49 ASN : amide:sc= -0.788 X(o=-0.79,f=-0.67) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 31:sc= 0.151 USER MOD Single : A 54 GLN : amide:sc= -0.007 X(o=-0.007,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -150:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.756 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.177 X(o=-0.18,f=0) USER MOD Single : A 65 SER OG : rot -169:sc= -0.568 USER MOD Single : A 67 SER OG : rot 180:sc= -0.024 USER MOD Single : A 68 GLN : amide:sc= -0.586 K(o=-0.59,f=-2.2) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -120:sc= -3.54 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.747 X(o=-0.75,f=-0.57) USER MOD Single : A 98 THR OG1 : rot 28:sc= 0.34 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.121 K(o=-0.12,f=-0.81) USER MOD Single : A 112 SER OG : rot -160:sc= -1.08 USER MOD Single : A 113 THR OG1 : rot 102:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 384 N LYS A 25 102.253 1.809 -4.278 1.00 0.00 N ATOM 385 CA LYS A 25 102.853 2.603 -3.213 1.00 0.00 C ATOM 386 C LYS A 25 101.955 3.783 -2.851 1.00 0.00 C ATOM 387 O LYS A 25 102.430 4.825 -2.402 1.00 0.00 O ATOM 388 CB LYS A 25 104.234 3.106 -3.639 1.00 0.00 C ATOM 389 CG LYS A 25 105.305 2.913 -2.578 1.00 0.00 C ATOM 390 CD LYS A 25 106.310 4.054 -2.588 1.00 0.00 C ATOM 391 CE LYS A 25 105.914 5.153 -1.617 1.00 0.00 C ATOM 392 NZ LYS A 25 107.071 6.019 -1.255 1.00 0.00 N ATOM 0 HA LYS A 25 102.964 1.968 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.537 2.586 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.165 4.165 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.838 2.847 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 25 105.823 1.969 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 25 107.297 3.673 -2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 25 106.385 4.466 -3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 25 105.128 5.764 -2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 25 105.498 4.707 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 106.759 6.756 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 107.811 5.441 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 107.452 6.466 -2.113 1.00 0.00 H new ATOM 406 N GLU A 26 100.651 3.606 -3.050 1.00 0.00 N ATOM 407 CA GLU A 26 99.682 4.654 -2.752 1.00 0.00 C ATOM 408 C GLU A 26 99.394 4.723 -1.256 1.00 0.00 C ATOM 409 O GLU A 26 98.398 4.180 -0.779 1.00 0.00 O ATOM 410 CB GLU A 26 98.384 4.405 -3.525 1.00 0.00 C ATOM 411 CG GLU A 26 98.312 5.153 -4.846 1.00 0.00 C ATOM 412 CD GLU A 26 98.120 6.646 -4.660 1.00 0.00 C ATOM 413 OE1 GLU A 26 98.528 7.170 -3.603 1.00 0.00 O ATOM 414 OE2 GLU A 26 97.563 7.291 -5.573 1.00 0.00 O ATOM 0 H GLU A 26 100.242 2.746 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 26 100.107 5.609 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 26 98.283 3.337 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 26 97.538 4.699 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 26 99.227 4.975 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 26 97.489 4.756 -5.440 1.00 0.00 H new ATOM 421 N GLY A 27 100.274 5.397 -0.521 1.00 0.00 N ATOM 422 CA GLY A 27 100.097 5.527 0.914 1.00 0.00 C ATOM 423 C GLY A 27 100.134 4.190 1.628 1.00 0.00 C ATOM 424 O GLY A 27 99.318 3.310 1.355 1.00 0.00 O ATOM 0 H GLY A 27 101.106 5.855 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 27 100.879 6.172 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 27 99.145 6.017 1.116 1.00 0.00 H new ATOM 428 N VAL A 28 101.082 4.038 2.546 1.00 0.00 N ATOM 429 CA VAL A 28 101.222 2.800 3.301 1.00 0.00 C ATOM 430 C VAL A 28 100.605 2.934 4.689 1.00 0.00 C ATOM 431 O VAL A 28 101.216 3.493 5.600 1.00 0.00 O ATOM 432 CB VAL A 28 102.700 2.392 3.446 1.00 0.00 C ATOM 433 CG1 VAL A 28 102.813 1.002 4.052 1.00 0.00 C ATOM 434 CG2 VAL A 28 103.404 2.455 2.099 1.00 0.00 C ATOM 0 H VAL A 28 101.765 4.757 2.785 1.00 0.00 H new ATOM 0 HA VAL A 28 100.695 2.027 2.742 1.00 0.00 H new ATOM 0 HB VAL A 28 103.189 3.096 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 28 103.864 0.731 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 28 102.346 0.995 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 28 102.309 0.282 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 28 104.447 2.164 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 28 102.916 1.775 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 28 103.354 3.472 1.710 1.00 0.00 H new ATOM 444 N VAL A 29 99.389 2.417 4.842 1.00 0.00 N ATOM 445 CA VAL A 29 98.688 2.481 6.118 1.00 0.00 C ATOM 446 C VAL A 29 97.904 1.199 6.379 1.00 0.00 C ATOM 447 O VAL A 29 97.126 0.753 5.535 1.00 0.00 O ATOM 448 CB VAL A 29 97.721 3.679 6.170 1.00 0.00 C ATOM 449 CG1 VAL A 29 97.214 3.897 7.586 1.00 0.00 C ATOM 450 CG2 VAL A 29 98.396 4.936 5.639 1.00 0.00 C ATOM 0 H VAL A 29 98.870 1.950 4.098 1.00 0.00 H new ATOM 0 HA VAL A 29 99.448 2.604 6.890 1.00 0.00 H new ATOM 0 HB VAL A 29 96.865 3.457 5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 29 96.533 4.748 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 29 96.688 3.005 7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 29 98.057 4.095 8.248 1.00 0.00 H new ATOM 0 HG21 VAL A 29 97.697 5.771 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 29 99.272 5.163 6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 29 98.703 4.775 4.606 1.00 0.00 H new ATOM 460 N ALA A 30 98.114 0.611 7.553 1.00 0.00 N ATOM 461 CA ALA A 30 97.426 -0.620 7.925 1.00 0.00 C ATOM 462 C ALA A 30 96.463 -0.380 9.084 1.00 0.00 C ATOM 463 O ALA A 30 96.872 0.033 10.169 1.00 0.00 O ATOM 464 CB ALA A 30 98.435 -1.699 8.289 1.00 0.00 C ATOM 0 H ALA A 30 98.755 0.967 8.262 1.00 0.00 H new ATOM 0 HA ALA A 30 96.845 -0.957 7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 30 97.908 -2.612 8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.081 -1.897 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 30 99.041 -1.362 9.130 1.00 0.00 H new ATOM 470 N VAL A 31 95.182 -0.643 8.845 1.00 0.00 N ATOM 471 CA VAL A 31 94.159 -0.456 9.867 1.00 0.00 C ATOM 472 C VAL A 31 93.723 -1.790 10.463 1.00 0.00 C ATOM 473 O VAL A 31 93.757 -2.821 9.793 1.00 0.00 O ATOM 474 CB VAL A 31 92.923 0.268 9.300 1.00 0.00 C ATOM 475 CG1 VAL A 31 93.205 1.751 9.123 1.00 0.00 C ATOM 476 CG2 VAL A 31 92.495 -0.361 7.983 1.00 0.00 C ATOM 0 H VAL A 31 94.828 -0.986 7.952 1.00 0.00 H new ATOM 0 HA VAL A 31 94.605 0.159 10.649 1.00 0.00 H new ATOM 0 HB VAL A 31 92.104 0.161 10.012 1.00 0.00 H new ATOM 0 HG11 VAL A 31 92.320 2.244 8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 31 93.459 2.191 10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 31 94.038 1.883 8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 31 91.621 0.163 7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 31 93.310 -0.287 7.263 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.247 -1.410 8.144 1.00 0.00 H new ATOM 486 N ASP A 32 93.313 -1.760 11.727 1.00 0.00 N ATOM 487 CA ASP A 32 92.870 -2.966 12.417 1.00 0.00 C ATOM 488 C ASP A 32 91.356 -3.126 12.317 1.00 0.00 C ATOM 489 O ASP A 32 90.602 -2.389 12.951 1.00 0.00 O ATOM 490 CB ASP A 32 93.293 -2.921 13.886 1.00 0.00 C ATOM 491 CG ASP A 32 93.704 -4.283 14.412 1.00 0.00 C ATOM 492 OD1 ASP A 32 92.980 -5.265 14.147 1.00 0.00 O ATOM 493 OD2 ASP A 32 94.750 -4.365 15.091 1.00 0.00 O ATOM 0 H ASP A 32 93.278 -0.913 12.294 1.00 0.00 H new ATOM 0 HA ASP A 32 93.340 -3.824 11.936 1.00 0.00 H new ATOM 0 HB2 ASP A 32 94.124 -2.225 14.001 1.00 0.00 H new ATOM 0 HB3 ASP A 32 92.469 -2.536 14.487 1.00 0.00 H new ATOM 498 N ASP A 33 90.920 -4.094 11.515 1.00 0.00 N ATOM 499 CA ASP A 33 89.496 -4.358 11.331 1.00 0.00 C ATOM 500 C ASP A 33 88.798 -3.176 10.659 1.00 0.00 C ATOM 501 O ASP A 33 88.492 -3.222 9.468 1.00 0.00 O ATOM 502 CB ASP A 33 88.831 -4.669 12.674 1.00 0.00 C ATOM 503 CG ASP A 33 87.358 -4.999 12.529 1.00 0.00 C ATOM 504 OD1 ASP A 33 87.043 -6.111 12.056 1.00 0.00 O ATOM 505 OD2 ASP A 33 86.520 -4.145 12.888 1.00 0.00 O ATOM 0 H ASP A 33 91.534 -4.709 10.981 1.00 0.00 H new ATOM 0 HA ASP A 33 89.399 -5.226 10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 33 89.344 -5.508 13.144 1.00 0.00 H new ATOM 0 HB3 ASP A 33 88.945 -3.813 13.339 1.00 0.00 H new ATOM 510 N ARG A 34 88.549 -2.121 11.428 1.00 0.00 N ATOM 511 CA ARG A 34 87.882 -0.935 10.903 1.00 0.00 C ATOM 512 C ARG A 34 88.902 0.109 10.447 1.00 0.00 C ATOM 513 O ARG A 34 89.216 0.202 9.261 1.00 0.00 O ATOM 514 CB ARG A 34 86.945 -0.341 11.960 1.00 0.00 C ATOM 515 CG ARG A 34 86.256 0.944 11.522 1.00 0.00 C ATOM 516 CD ARG A 34 86.167 1.947 12.662 1.00 0.00 C ATOM 517 NE ARG A 34 84.820 2.497 12.801 1.00 0.00 N ATOM 518 CZ ARG A 34 84.505 3.488 13.633 1.00 0.00 C ATOM 519 NH1 ARG A 34 85.437 4.039 14.401 1.00 0.00 N ATOM 520 NH2 ARG A 34 83.256 3.928 13.698 1.00 0.00 N ATOM 0 H ARG A 34 88.799 -2.063 12.415 1.00 0.00 H new ATOM 0 HA ARG A 34 87.291 -1.231 10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 34 86.186 -1.080 12.215 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.515 -0.144 12.868 1.00 0.00 H new ATOM 0 HG2 ARG A 34 86.804 1.386 10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 34 85.254 0.715 11.159 1.00 0.00 H new ATOM 0 HD2 ARG A 34 86.460 1.464 13.594 1.00 0.00 H new ATOM 0 HD3 ARG A 34 86.874 2.758 12.488 1.00 0.00 H new ATOM 0 HE ARG A 34 84.077 2.098 12.227 1.00 0.00 H new ATOM 0 HH11 ARG A 34 86.399 3.704 14.355 1.00 0.00 H new ATOM 0 HH12 ARG A 34 85.191 4.798 15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 34 82.536 3.507 13.111 1.00 0.00 H new ATOM 0 HH22 ARG A 34 83.015 4.687 14.335 1.00 0.00 H new ATOM 534 N GLY A 35 89.416 0.889 11.394 1.00 0.00 N ATOM 535 CA GLY A 35 90.390 1.912 11.060 1.00 0.00 C ATOM 536 C GLY A 35 91.482 2.035 12.105 1.00 0.00 C ATOM 537 O GLY A 35 92.535 1.409 11.988 1.00 0.00 O ATOM 0 H GLY A 35 89.176 0.831 12.384 1.00 0.00 H new ATOM 0 HA2 GLY A 35 90.840 1.680 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 35 89.883 2.871 10.954 1.00 0.00 H new ATOM 541 N GLU A 36 91.227 2.844 13.130 1.00 0.00 N ATOM 542 CA GLU A 36 92.195 3.053 14.204 1.00 0.00 C ATOM 543 C GLU A 36 93.403 3.838 13.702 1.00 0.00 C ATOM 544 O GLU A 36 93.639 4.970 14.125 1.00 0.00 O ATOM 545 CB GLU A 36 92.647 1.710 14.787 1.00 0.00 C ATOM 546 CG GLU A 36 92.704 1.696 16.306 1.00 0.00 C ATOM 547 CD GLU A 36 91.340 1.502 16.938 1.00 0.00 C ATOM 548 OE1 GLU A 36 90.814 0.370 16.882 1.00 0.00 O ATOM 549 OE2 GLU A 36 90.796 2.482 17.489 1.00 0.00 O ATOM 0 H GLU A 36 90.358 3.366 13.240 1.00 0.00 H new ATOM 0 HA GLU A 36 91.708 3.632 14.989 1.00 0.00 H new ATOM 0 HB2 GLU A 36 91.966 0.929 14.450 1.00 0.00 H new ATOM 0 HB3 GLU A 36 93.633 1.465 14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 36 93.369 0.897 16.634 1.00 0.00 H new ATOM 0 HG3 GLU A 36 93.134 2.634 16.659 1.00 0.00 H new ATOM 556 N VAL A 37 94.165 3.231 12.798 1.00 0.00 N ATOM 557 CA VAL A 37 95.348 3.873 12.235 1.00 0.00 C ATOM 558 C VAL A 37 96.436 4.047 13.290 1.00 0.00 C ATOM 559 O VAL A 37 97.261 4.958 13.199 1.00 0.00 O ATOM 560 CB VAL A 37 95.012 5.250 11.629 1.00 0.00 C ATOM 561 CG1 VAL A 37 96.185 5.779 10.816 1.00 0.00 C ATOM 562 CG2 VAL A 37 93.755 5.167 10.776 1.00 0.00 C ATOM 0 H VAL A 37 93.984 2.294 12.439 1.00 0.00 H new ATOM 0 HA VAL A 37 95.713 3.217 11.444 1.00 0.00 H new ATOM 0 HB VAL A 37 94.823 5.948 12.445 1.00 0.00 H new ATOM 0 HG11 VAL A 37 95.928 6.752 10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 37 97.058 5.881 11.461 1.00 0.00 H new ATOM 0 HG13 VAL A 37 96.410 5.084 10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 37 93.534 6.149 10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 37 93.911 4.454 9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 37 92.918 4.839 11.392 1.00 0.00 H new ATOM 572 N THR A 38 96.435 3.172 14.289 1.00 0.00 N ATOM 573 CA THR A 38 97.424 3.233 15.358 1.00 0.00 C ATOM 574 C THR A 38 98.826 2.949 14.827 1.00 0.00 C ATOM 575 O THR A 38 99.819 3.408 15.392 1.00 0.00 O ATOM 576 CB THR A 38 97.101 2.230 16.482 1.00 0.00 C ATOM 577 OG1 THR A 38 97.079 0.896 15.959 1.00 0.00 O ATOM 578 CG2 THR A 38 95.761 2.551 17.124 1.00 0.00 C ATOM 0 H THR A 38 95.761 2.412 14.381 1.00 0.00 H new ATOM 0 HA THR A 38 97.389 4.244 15.763 1.00 0.00 H new ATOM 0 HB THR A 38 97.878 2.308 17.242 1.00 0.00 H new ATOM 0 HG1 THR A 38 96.875 0.265 16.681 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.554 1.830 17.915 1.00 0.00 H new ATOM 0 HG22 THR A 38 95.792 3.555 17.548 1.00 0.00 H new ATOM 0 HG23 THR A 38 94.975 2.499 16.371 1.00 0.00 H new ATOM 586 N LEU A 39 98.899 2.189 13.738 1.00 0.00 N ATOM 587 CA LEU A 39 100.179 1.844 13.131 1.00 0.00 C ATOM 588 C LEU A 39 100.327 2.501 11.762 1.00 0.00 C ATOM 589 O LEU A 39 99.655 2.119 10.803 1.00 0.00 O ATOM 590 CB LEU A 39 100.313 0.324 13.002 1.00 0.00 C ATOM 591 CG LEU A 39 101.151 -0.346 14.091 1.00 0.00 C ATOM 592 CD1 LEU A 39 102.608 0.076 13.979 1.00 0.00 C ATOM 593 CD2 LEU A 39 100.602 -0.008 15.469 1.00 0.00 C ATOM 0 H LEU A 39 98.087 1.801 13.259 1.00 0.00 H new ATOM 0 HA LEU A 39 100.973 2.217 13.778 1.00 0.00 H new ATOM 0 HB2 LEU A 39 99.316 -0.115 13.010 1.00 0.00 H new ATOM 0 HB3 LEU A 39 100.754 0.094 12.032 1.00 0.00 H new ATOM 0 HG LEU A 39 101.095 -1.426 13.953 1.00 0.00 H new ATOM 0 HD11 LEU A 39 103.189 -0.411 14.762 1.00 0.00 H new ATOM 0 HD12 LEU A 39 102.997 -0.216 13.004 1.00 0.00 H new ATOM 0 HD13 LEU A 39 102.683 1.158 14.091 1.00 0.00 H new ATOM 0 HD21 LEU A 39 101.211 -0.493 16.232 1.00 0.00 H new ATOM 0 HD22 LEU A 39 100.628 1.072 15.616 1.00 0.00 H new ATOM 0 HD23 LEU A 39 99.573 -0.360 15.547 1.00 0.00 H new ATOM 605 N ILE A 40 101.210 3.490 11.679 1.00 0.00 N ATOM 606 CA ILE A 40 101.449 4.200 10.428 1.00 0.00 C ATOM 607 C ILE A 40 102.923 4.139 10.036 1.00 0.00 C ATOM 608 O ILE A 40 103.806 4.178 10.893 1.00 0.00 O ATOM 609 CB ILE A 40 101.012 5.676 10.528 1.00 0.00 C ATOM 610 CG1 ILE A 40 101.202 6.384 9.184 1.00 0.00 C ATOM 611 CG2 ILE A 40 101.790 6.387 11.626 1.00 0.00 C ATOM 612 CD1 ILE A 40 100.837 7.853 9.214 1.00 0.00 C ATOM 0 H ILE A 40 101.773 3.818 12.464 1.00 0.00 H new ATOM 0 HA ILE A 40 100.852 3.705 9.662 1.00 0.00 H new ATOM 0 HB ILE A 40 99.953 5.707 10.783 1.00 0.00 H new ATOM 0 HG12 ILE A 40 102.242 6.283 8.874 1.00 0.00 H new ATOM 0 HG13 ILE A 40 100.595 5.883 8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 40 101.470 7.427 11.684 1.00 0.00 H new ATOM 0 HG22 ILE A 40 101.602 5.896 12.581 1.00 0.00 H new ATOM 0 HG23 ILE A 40 102.856 6.347 11.401 1.00 0.00 H new ATOM 0 HD11 ILE A 40 100.997 8.288 8.227 1.00 0.00 H new ATOM 0 HD12 ILE A 40 99.789 7.962 9.493 1.00 0.00 H new ATOM 0 HD13 ILE A 40 101.462 8.368 9.943 1.00 0.00 H new ATOM 624 N ASN A 41 103.180 4.041 8.736 1.00 0.00 N ATOM 625 CA ASN A 41 104.546 3.974 8.231 1.00 0.00 C ATOM 626 C ASN A 41 105.148 5.369 8.102 1.00 0.00 C ATOM 627 O ASN A 41 104.436 6.371 8.165 1.00 0.00 O ATOM 628 CB ASN A 41 104.576 3.265 6.873 1.00 0.00 C ATOM 629 CG ASN A 41 104.916 1.793 6.998 1.00 0.00 C ATOM 630 OD1 ASN A 41 104.130 0.928 6.608 1.00 0.00 O ATOM 631 ND2 ASN A 41 106.090 1.500 7.544 1.00 0.00 N ATOM 0 H ASN A 41 102.461 4.006 8.014 1.00 0.00 H new ATOM 0 HA ASN A 41 105.143 3.405 8.944 1.00 0.00 H new ATOM 0 HB2 ASN A 41 103.605 3.371 6.389 1.00 0.00 H new ATOM 0 HB3 ASN A 41 105.308 3.751 6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 41 106.372 0.526 7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 41 106.710 2.249 7.853 1.00 0.00 H new ATOM 638 N ASP A 42 106.464 5.427 7.923 1.00 0.00 N ATOM 639 CA ASP A 42 107.163 6.699 7.785 1.00 0.00 C ATOM 640 C ASP A 42 106.788 7.384 6.474 1.00 0.00 C ATOM 641 O ASP A 42 106.773 8.612 6.386 1.00 0.00 O ATOM 642 CB ASP A 42 108.676 6.484 7.849 1.00 0.00 C ATOM 643 CG ASP A 42 109.153 5.440 6.859 1.00 0.00 C ATOM 644 OD1 ASP A 42 109.228 5.754 5.653 1.00 0.00 O ATOM 645 OD2 ASP A 42 109.454 4.306 7.290 1.00 0.00 O ATOM 0 H ASP A 42 107.068 4.607 7.870 1.00 0.00 H new ATOM 0 HA ASP A 42 106.861 7.344 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 42 109.183 7.428 7.650 1.00 0.00 H new ATOM 0 HB3 ASP A 42 108.955 6.179 8.858 1.00 0.00 H new ATOM 650 N ALA A 43 106.488 6.582 5.458 1.00 0.00 N ATOM 651 CA ALA A 43 106.113 7.111 4.153 1.00 0.00 C ATOM 652 C ALA A 43 104.807 7.893 4.232 1.00 0.00 C ATOM 653 O ALA A 43 104.646 8.922 3.574 1.00 0.00 O ATOM 654 CB ALA A 43 105.992 5.980 3.141 1.00 0.00 C ATOM 0 H ALA A 43 106.497 5.564 5.514 1.00 0.00 H new ATOM 0 HA ALA A 43 106.896 7.795 3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 43 105.711 6.389 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 43 106.949 5.465 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 43 105.229 5.275 3.472 1.00 0.00 H new ATOM 660 N ALA A 44 103.875 7.400 5.042 1.00 0.00 N ATOM 661 CA ALA A 44 102.583 8.054 5.207 1.00 0.00 C ATOM 662 C ALA A 44 102.672 9.204 6.204 1.00 0.00 C ATOM 663 O ALA A 44 101.952 10.196 6.090 1.00 0.00 O ATOM 664 CB ALA A 44 101.536 7.044 5.658 1.00 0.00 C ATOM 0 H ALA A 44 103.991 6.550 5.594 1.00 0.00 H new ATOM 0 HA ALA A 44 102.286 8.466 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 44 100.575 7.545 5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 44 101.444 6.257 4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 44 101.838 6.607 6.610 1.00 0.00 H new ATOM 670 N GLN A 45 103.562 9.065 7.181 1.00 0.00 N ATOM 671 CA GLN A 45 103.748 10.092 8.199 1.00 0.00 C ATOM 672 C GLN A 45 104.362 11.352 7.597 1.00 0.00 C ATOM 673 O GLN A 45 103.820 12.448 7.737 1.00 0.00 O ATOM 674 CB GLN A 45 104.641 9.567 9.325 1.00 0.00 C ATOM 675 CG GLN A 45 103.961 8.539 10.214 1.00 0.00 C ATOM 676 CD GLN A 45 104.950 7.752 11.053 1.00 0.00 C ATOM 677 OE1 GLN A 45 105.564 6.797 10.578 1.00 0.00 O ATOM 678 NE2 GLN A 45 105.108 8.151 12.310 1.00 0.00 N ATOM 0 H GLN A 45 104.166 8.250 7.289 1.00 0.00 H new ATOM 0 HA GLN A 45 102.769 10.345 8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 45 105.536 9.123 8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 45 104.968 10.406 9.939 1.00 0.00 H new ATOM 0 HG2 GLN A 45 103.253 9.043 10.871 1.00 0.00 H new ATOM 0 HG3 GLN A 45 103.386 7.851 9.594 1.00 0.00 H new ATOM 0 HE21 GLN A 45 104.578 8.948 12.662 1.00 0.00 H new ATOM 0 HE22 GLN A 45 105.759 7.660 12.923 1.00 0.00 H new ATOM 687 N GLU A 46 105.498 11.186 6.927 1.00 0.00 N ATOM 688 CA GLU A 46 106.191 12.309 6.304 1.00 0.00 C ATOM 689 C GLU A 46 105.318 12.972 5.243 1.00 0.00 C ATOM 690 O GLU A 46 105.311 14.195 5.107 1.00 0.00 O ATOM 691 CB GLU A 46 107.506 11.839 5.679 1.00 0.00 C ATOM 692 CG GLU A 46 108.539 11.390 6.699 1.00 0.00 C ATOM 693 CD GLU A 46 109.831 10.928 6.055 1.00 0.00 C ATOM 694 OE1 GLU A 46 109.928 9.730 5.713 1.00 0.00 O ATOM 695 OE2 GLU A 46 110.745 11.762 5.892 1.00 0.00 O ATOM 0 H GLU A 46 105.959 10.285 6.801 1.00 0.00 H new ATOM 0 HA GLU A 46 106.406 13.044 7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 46 107.300 11.015 4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 46 107.925 12.649 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 46 108.752 12.213 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 46 108.125 10.578 7.297 1.00 0.00 H new ATOM 702 N LEU A 47 104.582 12.156 4.494 1.00 0.00 N ATOM 703 CA LEU A 47 103.708 12.665 3.444 1.00 0.00 C ATOM 704 C LEU A 47 102.676 13.634 4.012 1.00 0.00 C ATOM 705 O LEU A 47 102.613 14.796 3.609 1.00 0.00 O ATOM 706 CB LEU A 47 103.000 11.508 2.735 1.00 0.00 C ATOM 707 CG LEU A 47 102.362 11.866 1.392 1.00 0.00 C ATOM 708 CD1 LEU A 47 103.350 11.648 0.257 1.00 0.00 C ATOM 709 CD2 LEU A 47 101.100 11.047 1.168 1.00 0.00 C ATOM 0 H LEU A 47 104.574 11.141 4.595 1.00 0.00 H new ATOM 0 HA LEU A 47 104.325 13.202 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 47 103.719 10.705 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 47 102.226 11.116 3.395 1.00 0.00 H new ATOM 0 HG LEU A 47 102.089 12.921 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 47 102.878 11.908 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 47 104.226 12.278 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 47 103.655 10.602 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 47 100.659 11.314 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 47 101.350 9.986 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 47 100.386 11.253 1.965 1.00 0.00 H new ATOM 721 N LEU A 48 101.869 13.149 4.950 1.00 0.00 N ATOM 722 CA LEU A 48 100.840 13.973 5.573 1.00 0.00 C ATOM 723 C LEU A 48 101.456 14.966 6.553 1.00 0.00 C ATOM 724 O LEU A 48 101.506 16.167 6.287 1.00 0.00 O ATOM 725 CB LEU A 48 99.819 13.092 6.293 1.00 0.00 C ATOM 726 CG LEU A 48 98.954 12.223 5.379 1.00 0.00 C ATOM 727 CD1 LEU A 48 98.560 10.935 6.083 1.00 0.00 C ATOM 728 CD2 LEU A 48 97.718 12.989 4.932 1.00 0.00 C ATOM 0 H LEU A 48 101.908 12.190 5.295 1.00 0.00 H new ATOM 0 HA LEU A 48 100.334 14.534 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 100.349 12.443 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 48 99.165 13.731 6.887 1.00 0.00 H new ATOM 0 HG LEU A 48 99.537 11.965 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 48 97.945 10.330 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 48 99.458 10.379 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 48 97.995 11.171 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 48 97.113 12.356 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 48 97.133 13.277 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 48 98.021 13.883 4.388 1.00 0.00 H new ATOM 740 N ASN A 49 101.924 14.456 7.687 1.00 0.00 N ATOM 741 CA ASN A 49 102.536 15.299 8.708 1.00 0.00 C ATOM 742 C ASN A 49 103.070 14.454 9.861 1.00 0.00 C ATOM 743 O ASN A 49 102.603 13.340 10.096 1.00 0.00 O ATOM 744 CB ASN A 49 101.522 16.318 9.231 1.00 0.00 C ATOM 745 CG ASN A 49 101.759 17.707 8.675 1.00 0.00 C ATOM 746 OD1 ASN A 49 100.858 18.325 8.107 1.00 0.00 O ATOM 747 ND2 ASN A 49 102.979 18.207 8.835 1.00 0.00 N ATOM 0 H ASN A 49 101.891 13.464 7.922 1.00 0.00 H new ATOM 0 HA ASN A 49 103.372 15.831 8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 49 100.515 15.992 8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 49 101.573 16.352 10.319 1.00 0.00 H new ATOM 0 HD21 ASN A 49 103.199 19.138 8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 49 103.696 17.660 9.312 1.00 0.00 H new ATOM 754 N TYR A 50 104.053 14.992 10.577 1.00 0.00 N ATOM 755 CA TYR A 50 104.649 14.288 11.705 1.00 0.00 C ATOM 756 C TYR A 50 103.670 14.211 12.874 1.00 0.00 C ATOM 757 O TYR A 50 103.005 13.193 13.073 1.00 0.00 O ATOM 758 CB TYR A 50 105.941 14.982 12.144 1.00 0.00 C ATOM 759 CG TYR A 50 107.163 14.533 11.374 1.00 0.00 C ATOM 760 CD1 TYR A 50 107.594 13.213 11.428 1.00 0.00 C ATOM 761 CD2 TYR A 50 107.884 15.428 10.595 1.00 0.00 C ATOM 762 CE1 TYR A 50 108.712 12.800 10.727 1.00 0.00 C ATOM 763 CE2 TYR A 50 109.002 15.022 9.890 1.00 0.00 C ATOM 764 CZ TYR A 50 109.411 13.707 9.960 1.00 0.00 C ATOM 765 OH TYR A 50 110.523 13.298 9.261 1.00 0.00 O ATOM 0 H TYR A 50 104.453 15.913 10.395 1.00 0.00 H new ATOM 0 HA TYR A 50 104.885 13.273 11.386 1.00 0.00 H new ATOM 0 HB2 TYR A 50 105.823 16.059 12.025 1.00 0.00 H new ATOM 0 HB3 TYR A 50 106.102 14.794 13.206 1.00 0.00 H new ATOM 0 HD1 TYR A 50 107.048 12.499 12.026 1.00 0.00 H new ATOM 0 HD2 TYR A 50 107.566 16.459 10.539 1.00 0.00 H new ATOM 0 HE1 TYR A 50 109.036 11.771 10.780 1.00 0.00 H new ATOM 0 HE2 TYR A 50 109.552 15.731 9.288 1.00 0.00 H new ATOM 0 HH TYR A 50 110.899 14.058 8.770 1.00 0.00 H new ATOM 775 N ARG A 51 103.585 15.292 13.645 1.00 0.00 N ATOM 776 CA ARG A 51 102.685 15.350 14.795 1.00 0.00 C ATOM 777 C ARG A 51 102.825 14.105 15.670 1.00 0.00 C ATOM 778 O ARG A 51 103.769 13.331 15.519 1.00 0.00 O ATOM 779 CB ARG A 51 101.237 15.500 14.325 1.00 0.00 C ATOM 780 CG ARG A 51 100.436 16.505 15.137 1.00 0.00 C ATOM 781 CD ARG A 51 100.487 17.892 14.515 1.00 0.00 C ATOM 782 NE ARG A 51 101.458 18.756 15.183 1.00 0.00 N ATOM 783 CZ ARG A 51 101.685 20.022 14.837 1.00 0.00 C ATOM 784 NH1 ARG A 51 101.014 20.572 13.833 1.00 0.00 N ATOM 785 NH2 ARG A 51 102.585 20.738 15.497 1.00 0.00 N ATOM 0 H ARG A 51 104.129 16.141 13.494 1.00 0.00 H new ATOM 0 HA ARG A 51 102.960 16.218 15.394 1.00 0.00 H new ATOM 0 HB2 ARG A 51 101.233 15.805 13.279 1.00 0.00 H new ATOM 0 HB3 ARG A 51 100.745 14.529 14.376 1.00 0.00 H new ATOM 0 HG2 ARG A 51 99.400 16.174 15.207 1.00 0.00 H new ATOM 0 HG3 ARG A 51 100.827 16.547 16.154 1.00 0.00 H new ATOM 0 HD2 ARG A 51 100.744 17.807 13.459 1.00 0.00 H new ATOM 0 HD3 ARG A 51 99.499 18.349 14.567 1.00 0.00 H new ATOM 0 HE ARG A 51 101.993 18.367 15.959 1.00 0.00 H new ATOM 0 HH11 ARG A 51 100.321 20.025 13.323 1.00 0.00 H new ATOM 0 HH12 ARG A 51 101.191 21.542 13.572 1.00 0.00 H new ATOM 0 HH21 ARG A 51 103.103 20.319 16.269 1.00 0.00 H new ATOM 0 HH22 ARG A 51 102.759 21.708 15.232 1.00 0.00 H new ATOM 799 N LYS A 52 101.877 13.923 16.584 1.00 0.00 N ATOM 800 CA LYS A 52 101.894 12.773 17.482 1.00 0.00 C ATOM 801 C LYS A 52 100.481 12.416 17.932 1.00 0.00 C ATOM 802 O LYS A 52 100.272 11.975 19.063 1.00 0.00 O ATOM 803 CB LYS A 52 102.771 13.065 18.701 1.00 0.00 C ATOM 804 CG LYS A 52 102.258 14.208 19.562 1.00 0.00 C ATOM 805 CD LYS A 52 103.391 14.904 20.303 1.00 0.00 C ATOM 806 CE LYS A 52 103.597 16.326 19.803 1.00 0.00 C ATOM 807 NZ LYS A 52 103.046 17.333 20.750 1.00 0.00 N ATOM 0 H LYS A 52 101.089 14.556 16.722 1.00 0.00 H new ATOM 0 HA LYS A 52 102.310 11.924 16.939 1.00 0.00 H new ATOM 0 HB2 LYS A 52 102.841 12.165 19.312 1.00 0.00 H new ATOM 0 HB3 LYS A 52 103.780 13.300 18.364 1.00 0.00 H new ATOM 0 HG2 LYS A 52 101.735 14.930 18.935 1.00 0.00 H new ATOM 0 HG3 LYS A 52 101.533 13.826 20.281 1.00 0.00 H new ATOM 0 HD2 LYS A 52 103.172 14.921 21.371 1.00 0.00 H new ATOM 0 HD3 LYS A 52 104.313 14.336 20.176 1.00 0.00 H new ATOM 0 HE2 LYS A 52 104.662 16.509 19.658 1.00 0.00 H new ATOM 0 HE3 LYS A 52 103.118 16.442 18.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 103.207 18.289 20.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 102.025 17.175 20.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 103.521 17.240 21.671 1.00 0.00 H new ATOM 821 N SER A 53 99.513 12.605 17.040 1.00 0.00 N ATOM 822 CA SER A 53 98.120 12.302 17.348 1.00 0.00 C ATOM 823 C SER A 53 97.361 11.891 16.090 1.00 0.00 C ATOM 824 O SER A 53 96.850 10.775 15.999 1.00 0.00 O ATOM 825 CB SER A 53 97.442 13.512 17.991 1.00 0.00 C ATOM 826 OG SER A 53 97.613 13.504 19.399 1.00 0.00 O ATOM 0 H SER A 53 99.668 12.966 16.099 1.00 0.00 H new ATOM 0 HA SER A 53 98.104 11.469 18.050 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.859 14.430 17.576 1.00 0.00 H new ATOM 0 HB3 SER A 53 96.379 13.508 17.751 1.00 0.00 H new ATOM 0 HG SER A 53 98.463 13.071 19.623 1.00 0.00 H new ATOM 832 N GLN A 54 97.293 12.799 15.122 1.00 0.00 N ATOM 833 CA GLN A 54 96.596 12.531 13.869 1.00 0.00 C ATOM 834 C GLN A 54 97.181 11.308 13.168 1.00 0.00 C ATOM 835 O GLN A 54 96.474 10.584 12.468 1.00 0.00 O ATOM 836 CB GLN A 54 96.674 13.748 12.946 1.00 0.00 C ATOM 837 CG GLN A 54 95.408 13.982 12.136 1.00 0.00 C ATOM 838 CD GLN A 54 94.810 15.355 12.370 1.00 0.00 C ATOM 839 OE1 GLN A 54 94.731 16.174 11.454 1.00 0.00 O ATOM 840 NE2 GLN A 54 94.385 15.614 13.600 1.00 0.00 N ATOM 0 H GLN A 54 97.712 13.727 15.181 1.00 0.00 H new ATOM 0 HA GLN A 54 95.551 12.327 14.102 1.00 0.00 H new ATOM 0 HB2 GLN A 54 96.881 14.635 13.545 1.00 0.00 H new ATOM 0 HB3 GLN A 54 97.514 13.622 12.263 1.00 0.00 H new ATOM 0 HG2 GLN A 54 95.633 13.864 11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 54 94.671 13.221 12.393 1.00 0.00 H new ATOM 0 HE21 GLN A 54 94.470 14.905 14.329 1.00 0.00 H new ATOM 0 HE22 GLN A 54 93.973 16.522 13.817 1.00 0.00 H new ATOM 849 N ASP A 55 98.477 11.085 13.361 1.00 0.00 N ATOM 850 CA ASP A 55 99.157 9.951 12.747 1.00 0.00 C ATOM 851 C ASP A 55 98.767 8.646 13.434 1.00 0.00 C ATOM 852 O ASP A 55 98.498 7.642 12.773 1.00 0.00 O ATOM 853 CB ASP A 55 100.673 10.141 12.814 1.00 0.00 C ATOM 854 CG ASP A 55 101.178 10.266 14.239 1.00 0.00 C ATOM 855 OD1 ASP A 55 100.997 11.345 14.841 1.00 0.00 O ATOM 856 OD2 ASP A 55 101.753 9.282 14.752 1.00 0.00 O ATOM 0 H ASP A 55 99.077 11.675 13.938 1.00 0.00 H new ATOM 0 HA ASP A 55 98.850 9.898 11.703 1.00 0.00 H new ATOM 0 HB2 ASP A 55 101.164 9.297 12.330 1.00 0.00 H new ATOM 0 HB3 ASP A 55 100.950 11.034 12.254 1.00 0.00 H new ATOM 861 N ASP A 56 98.739 8.667 14.762 1.00 0.00 N ATOM 862 CA ASP A 56 98.383 7.484 15.537 1.00 0.00 C ATOM 863 C ASP A 56 96.870 7.307 15.599 1.00 0.00 C ATOM 864 O ASP A 56 96.319 6.379 15.007 1.00 0.00 O ATOM 865 CB ASP A 56 98.953 7.588 16.954 1.00 0.00 C ATOM 866 CG ASP A 56 98.683 6.344 17.779 1.00 0.00 C ATOM 867 OD1 ASP A 56 99.032 5.237 17.316 1.00 0.00 O ATOM 868 OD2 ASP A 56 98.121 6.477 18.886 1.00 0.00 O ATOM 0 H ASP A 56 98.958 9.489 15.324 1.00 0.00 H new ATOM 0 HA ASP A 56 98.812 6.613 15.041 1.00 0.00 H new ATOM 0 HB2 ASP A 56 100.028 7.757 16.899 1.00 0.00 H new ATOM 0 HB3 ASP A 56 98.519 8.454 17.454 1.00 0.00 H new ATOM 873 N GLU A 57 96.202 8.203 16.318 1.00 0.00 N ATOM 874 CA GLU A 57 94.752 8.143 16.457 1.00 0.00 C ATOM 875 C GLU A 57 94.068 9.019 15.414 1.00 0.00 C ATOM 876 O GLU A 57 94.381 10.202 15.280 1.00 0.00 O ATOM 877 CB GLU A 57 94.335 8.582 17.862 1.00 0.00 C ATOM 878 CG GLU A 57 94.336 7.453 18.878 1.00 0.00 C ATOM 879 CD GLU A 57 94.091 7.941 20.292 1.00 0.00 C ATOM 880 OE1 GLU A 57 94.762 8.909 20.710 1.00 0.00 O ATOM 881 OE2 GLU A 57 93.229 7.358 20.982 1.00 0.00 O ATOM 0 H GLU A 57 96.642 8.979 16.813 1.00 0.00 H new ATOM 0 HA GLU A 57 94.440 7.111 16.298 1.00 0.00 H new ATOM 0 HB2 GLU A 57 95.010 9.367 18.203 1.00 0.00 H new ATOM 0 HB3 GLU A 57 93.337 9.017 17.816 1.00 0.00 H new ATOM 0 HG2 GLU A 57 93.568 6.727 18.610 1.00 0.00 H new ATOM 0 HG3 GLU A 57 95.293 6.934 18.838 1.00 0.00 H new ATOM 888 N LYS A 58 93.132 8.430 14.675 1.00 0.00 N ATOM 889 CA LYS A 58 92.402 9.157 13.643 1.00 0.00 C ATOM 890 C LYS A 58 90.963 8.662 13.545 1.00 0.00 C ATOM 891 O LYS A 58 90.644 7.559 13.988 1.00 0.00 O ATOM 892 CB LYS A 58 93.101 9.003 12.290 1.00 0.00 C ATOM 893 CG LYS A 58 92.827 10.150 11.330 1.00 0.00 C ATOM 894 CD LYS A 58 94.076 10.541 10.556 1.00 0.00 C ATOM 895 CE LYS A 58 93.764 10.818 9.095 1.00 0.00 C ATOM 896 NZ LYS A 58 94.992 10.804 8.252 1.00 0.00 N ATOM 0 H LYS A 58 92.862 7.451 14.772 1.00 0.00 H new ATOM 0 HA LYS A 58 92.386 10.212 13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 58 94.176 8.925 12.452 1.00 0.00 H new ATOM 0 HB3 LYS A 58 92.780 8.069 11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 58 92.041 9.862 10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 58 92.458 11.011 11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 58 94.522 11.427 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 58 94.814 9.741 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 58 93.062 10.071 8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 58 93.274 11.787 9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 94.736 10.997 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 95.652 11.534 8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 95.447 9.871 8.316 1.00 0.00 H new ATOM 910 N LEU A 59 90.099 9.484 12.960 1.00 0.00 N ATOM 911 CA LEU A 59 88.693 9.130 12.803 1.00 0.00 C ATOM 912 C LEU A 59 88.498 8.194 11.614 1.00 0.00 C ATOM 913 O LEU A 59 87.767 7.207 11.702 1.00 0.00 O ATOM 914 CB LEU A 59 87.845 10.391 12.622 1.00 0.00 C ATOM 915 CG LEU A 59 86.473 10.351 13.305 1.00 0.00 C ATOM 916 CD1 LEU A 59 86.353 11.466 14.333 1.00 0.00 C ATOM 917 CD2 LEU A 59 85.359 10.456 12.273 1.00 0.00 C ATOM 0 H LEU A 59 90.347 10.400 12.587 1.00 0.00 H new ATOM 0 HA LEU A 59 88.370 8.612 13.706 1.00 0.00 H new ATOM 0 HB2 LEU A 59 88.402 11.244 13.009 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.699 10.563 11.556 1.00 0.00 H new ATOM 0 HG LEU A 59 86.376 9.396 13.821 1.00 0.00 H new ATOM 0 HD11 LEU A 59 85.372 11.420 14.806 1.00 0.00 H new ATOM 0 HD12 LEU A 59 87.128 11.347 15.091 1.00 0.00 H new ATOM 0 HD13 LEU A 59 86.473 12.430 13.839 1.00 0.00 H new ATOM 0 HD21 LEU A 59 84.393 10.426 12.776 1.00 0.00 H new ATOM 0 HD22 LEU A 59 85.455 11.395 11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 59 85.430 9.622 11.574 1.00 0.00 H new ATOM 929 N SER A 60 89.157 8.511 10.505 1.00 0.00 N ATOM 930 CA SER A 60 89.056 7.699 9.298 1.00 0.00 C ATOM 931 C SER A 60 87.617 7.648 8.794 1.00 0.00 C ATOM 932 O SER A 60 87.167 6.629 8.271 1.00 0.00 O ATOM 933 CB SER A 60 89.563 6.281 9.569 1.00 0.00 C ATOM 934 OG SER A 60 90.953 6.279 9.841 1.00 0.00 O ATOM 0 H SER A 60 89.767 9.324 10.417 1.00 0.00 H new ATOM 0 HA SER A 60 89.675 8.159 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 60 89.023 5.854 10.414 1.00 0.00 H new ATOM 0 HB3 SER A 60 89.357 5.647 8.707 1.00 0.00 H new ATOM 0 HG SER A 60 91.342 5.429 9.548 1.00 0.00 H new ATOM 940 N THR A 61 86.902 8.757 8.953 1.00 0.00 N ATOM 941 CA THR A 61 85.514 8.840 8.514 1.00 0.00 C ATOM 942 C THR A 61 85.062 10.291 8.391 1.00 0.00 C ATOM 943 O THR A 61 85.408 11.133 9.221 1.00 0.00 O ATOM 944 CB THR A 61 84.573 8.101 9.484 1.00 0.00 C ATOM 945 OG1 THR A 61 85.292 7.076 10.181 1.00 0.00 O ATOM 946 CG2 THR A 61 83.401 7.486 8.737 1.00 0.00 C ATOM 0 H THR A 61 87.261 9.610 9.382 1.00 0.00 H new ATOM 0 HA THR A 61 85.463 8.362 7.536 1.00 0.00 H new ATOM 0 HB THR A 61 84.187 8.825 10.202 1.00 0.00 H new ATOM 0 HG1 THR A 61 84.686 6.612 10.797 1.00 0.00 H new ATOM 0 HG21 THR A 61 82.750 6.970 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 61 82.838 8.272 8.233 1.00 0.00 H new ATOM 0 HG23 THR A 61 83.773 6.775 7.999 1.00 0.00 H new ATOM 954 N LEU A 62 84.286 10.579 7.351 1.00 0.00 N ATOM 955 CA LEU A 62 83.787 11.929 7.120 1.00 0.00 C ATOM 956 C LEU A 62 82.266 11.973 7.232 1.00 0.00 C ATOM 957 O LEU A 62 81.718 12.629 8.118 1.00 0.00 O ATOM 958 CB LEU A 62 84.223 12.426 5.741 1.00 0.00 C ATOM 959 CG LEU A 62 85.663 12.083 5.355 1.00 0.00 C ATOM 960 CD1 LEU A 62 85.993 12.638 3.978 1.00 0.00 C ATOM 961 CD2 LEU A 62 86.634 12.620 6.395 1.00 0.00 C ATOM 0 H LEU A 62 83.989 9.895 6.655 1.00 0.00 H new ATOM 0 HA LEU A 62 84.209 12.582 7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 62 83.552 12.006 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 62 84.102 13.509 5.707 1.00 0.00 H new ATOM 0 HG LEU A 62 85.762 10.998 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 62 87.021 12.384 3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 62 85.317 12.206 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 62 85.878 13.722 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 62 87.654 12.367 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 62 86.533 13.703 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 62 86.411 12.175 7.365 1.00 0.00 H new ATOM 973 N SER A 63 81.589 11.271 6.328 1.00 0.00 N ATOM 974 CA SER A 63 80.131 11.230 6.328 1.00 0.00 C ATOM 975 C SER A 63 79.621 9.794 6.434 1.00 0.00 C ATOM 976 O SER A 63 78.468 9.511 6.106 1.00 0.00 O ATOM 977 CB SER A 63 79.584 11.882 5.057 1.00 0.00 C ATOM 978 OG SER A 63 80.137 13.172 4.865 1.00 0.00 O ATOM 0 H SER A 63 82.027 10.723 5.587 1.00 0.00 H new ATOM 0 HA SER A 63 79.779 11.785 7.198 1.00 0.00 H new ATOM 0 HB2 SER A 63 79.812 11.254 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 63 78.498 11.954 5.120 1.00 0.00 H new ATOM 0 HG SER A 63 79.772 13.566 4.045 1.00 0.00 H new ATOM 984 N HIS A 64 80.483 8.891 6.895 1.00 0.00 N ATOM 985 CA HIS A 64 80.115 7.485 7.043 1.00 0.00 C ATOM 986 C HIS A 64 79.510 6.938 5.753 1.00 0.00 C ATOM 987 O HIS A 64 78.292 6.804 5.635 1.00 0.00 O ATOM 988 CB HIS A 64 79.124 7.315 8.196 1.00 0.00 C ATOM 989 CG HIS A 64 79.559 7.982 9.464 1.00 0.00 C ATOM 990 ND1 HIS A 64 80.070 7.291 10.543 1.00 0.00 N ATOM 991 CD2 HIS A 64 79.556 9.289 9.823 1.00 0.00 C ATOM 992 CE1 HIS A 64 80.361 8.143 11.509 1.00 0.00 C ATOM 993 NE2 HIS A 64 80.060 9.361 11.098 1.00 0.00 N ATOM 0 H HIS A 64 81.440 9.107 7.172 1.00 0.00 H new ATOM 0 HA HIS A 64 81.021 6.921 7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 64 78.157 7.719 7.896 1.00 0.00 H new ATOM 0 HB3 HIS A 64 78.979 6.251 8.386 1.00 0.00 H new ATOM 0 HD2 HIS A 64 79.220 10.119 9.219 1.00 0.00 H new ATOM 0 HE1 HIS A 64 80.775 7.887 12.473 1.00 0.00 H new ATOM 0 HE2 HIS A 64 80.182 10.217 11.640 1.00 0.00 H new ATOM 1001 N SER A 65 80.369 6.625 4.789 1.00 0.00 N ATOM 1002 CA SER A 65 79.919 6.091 3.508 1.00 0.00 C ATOM 1003 C SER A 65 79.043 7.104 2.777 1.00 0.00 C ATOM 1004 O SER A 65 78.683 8.144 3.331 1.00 0.00 O ATOM 1005 CB SER A 65 79.147 4.785 3.720 1.00 0.00 C ATOM 1006 OG SER A 65 78.172 4.591 2.709 1.00 0.00 O ATOM 0 H SER A 65 81.380 6.732 4.870 1.00 0.00 H new ATOM 0 HA SER A 65 80.797 5.889 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 65 79.842 3.946 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 65 78.663 4.801 4.696 1.00 0.00 H new ATOM 0 HG SER A 65 77.584 3.849 2.960 1.00 0.00 H new ATOM 1012 N TRP A 66 78.703 6.791 1.532 1.00 0.00 N ATOM 1013 CA TRP A 66 77.864 7.669 0.726 1.00 0.00 C ATOM 1014 C TRP A 66 76.390 7.405 0.997 1.00 0.00 C ATOM 1015 O TRP A 66 75.596 8.337 1.130 1.00 0.00 O ATOM 1016 CB TRP A 66 78.165 7.477 -0.762 1.00 0.00 C ATOM 1017 CG TRP A 66 77.703 8.621 -1.612 1.00 0.00 C ATOM 1018 CD1 TRP A 66 77.672 9.940 -1.263 1.00 0.00 C ATOM 1019 CD2 TRP A 66 77.204 8.547 -2.951 1.00 0.00 C ATOM 1020 NE1 TRP A 66 77.186 10.692 -2.305 1.00 0.00 N ATOM 1021 CE2 TRP A 66 76.890 9.860 -3.353 1.00 0.00 C ATOM 1022 CE3 TRP A 66 76.992 7.498 -3.853 1.00 0.00 C ATOM 1023 CZ2 TRP A 66 76.377 10.150 -4.615 1.00 0.00 C ATOM 1024 CZ3 TRP A 66 76.482 7.789 -5.104 1.00 0.00 C ATOM 1025 CH2 TRP A 66 76.180 9.105 -5.475 1.00 0.00 C ATOM 0 H TRP A 66 78.995 5.936 1.059 1.00 0.00 H new ATOM 0 HA TRP A 66 78.088 8.699 1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 66 79.239 7.345 -0.894 1.00 0.00 H new ATOM 0 HB3 TRP A 66 77.687 6.560 -1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 66 77.984 10.335 -0.307 1.00 0.00 H new ATOM 0 HE1 TRP A 66 77.065 11.705 -2.300 1.00 0.00 H new ATOM 0 HE3 TRP A 66 77.223 6.480 -3.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 76.143 11.164 -4.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 76.313 6.987 -5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 66 75.783 9.299 -6.461 1.00 0.00 H new ATOM 1036 N SER A 67 76.026 6.132 1.080 1.00 0.00 N ATOM 1037 CA SER A 67 74.645 5.752 1.338 1.00 0.00 C ATOM 1038 C SER A 67 74.570 4.400 2.044 1.00 0.00 C ATOM 1039 O SER A 67 73.995 4.286 3.126 1.00 0.00 O ATOM 1040 CB SER A 67 73.854 5.701 0.029 1.00 0.00 C ATOM 1041 OG SER A 67 73.823 6.973 -0.597 1.00 0.00 O ATOM 0 H SER A 67 76.668 5.346 0.972 1.00 0.00 H new ATOM 0 HA SER A 67 74.206 6.506 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 67 74.305 4.972 -0.644 1.00 0.00 H new ATOM 0 HB3 SER A 67 72.836 5.365 0.228 1.00 0.00 H new ATOM 0 HG SER A 67 73.313 6.914 -1.432 1.00 0.00 H new ATOM 1047 N GLN A 68 75.157 3.382 1.424 1.00 0.00 N ATOM 1048 CA GLN A 68 75.155 2.036 1.990 1.00 0.00 C ATOM 1049 C GLN A 68 75.803 2.019 3.371 1.00 0.00 C ATOM 1050 O GLN A 68 76.954 2.422 3.533 1.00 0.00 O ATOM 1051 CB GLN A 68 75.887 1.068 1.061 1.00 0.00 C ATOM 1052 CG GLN A 68 74.989 0.436 0.011 1.00 0.00 C ATOM 1053 CD GLN A 68 75.742 0.057 -1.249 1.00 0.00 C ATOM 1054 OE1 GLN A 68 76.951 -0.176 -1.217 1.00 0.00 O ATOM 1055 NE2 GLN A 68 75.030 -0.007 -2.368 1.00 0.00 N ATOM 0 H GLN A 68 75.640 3.462 0.529 1.00 0.00 H new ATOM 0 HA GLN A 68 74.118 1.718 2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 68 76.697 1.599 0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 68 76.344 0.279 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 68 74.517 -0.453 0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 68 74.189 1.131 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 68 74.030 0.194 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 68 75.483 -0.257 -3.247 1.00 0.00 H new ATOM 1064 N VAL A 69 75.053 1.552 4.364 1.00 0.00 N ATOM 1065 CA VAL A 69 75.552 1.482 5.733 1.00 0.00 C ATOM 1066 C VAL A 69 76.398 0.231 5.954 1.00 0.00 C ATOM 1067 O VAL A 69 77.609 0.317 6.154 1.00 0.00 O ATOM 1068 CB VAL A 69 74.394 1.494 6.751 1.00 0.00 C ATOM 1069 CG1 VAL A 69 74.929 1.505 8.176 1.00 0.00 C ATOM 1070 CG2 VAL A 69 73.483 2.688 6.509 1.00 0.00 C ATOM 0 H VAL A 69 74.097 1.216 4.246 1.00 0.00 H new ATOM 0 HA VAL A 69 76.174 2.364 5.887 1.00 0.00 H new ATOM 0 HB VAL A 69 73.810 0.584 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 69 74.095 1.513 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 69 75.535 0.615 8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 69 75.540 2.395 8.328 1.00 0.00 H new ATOM 0 HG21 VAL A 69 72.672 2.680 7.237 1.00 0.00 H new ATOM 0 HG22 VAL A 69 74.055 3.610 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 69 73.068 2.631 5.503 1.00 0.00 H new ATOM 1080 N VAL A 70 75.751 -0.930 5.918 1.00 0.00 N ATOM 1081 CA VAL A 70 76.441 -2.199 6.125 1.00 0.00 C ATOM 1082 C VAL A 70 77.160 -2.658 4.859 1.00 0.00 C ATOM 1083 O VAL A 70 78.230 -3.262 4.929 1.00 0.00 O ATOM 1084 CB VAL A 70 75.463 -3.302 6.571 1.00 0.00 C ATOM 1085 CG1 VAL A 70 76.220 -4.565 6.954 1.00 0.00 C ATOM 1086 CG2 VAL A 70 74.598 -2.819 7.727 1.00 0.00 C ATOM 0 H VAL A 70 74.749 -1.018 5.747 1.00 0.00 H new ATOM 0 HA VAL A 70 77.176 -2.029 6.912 1.00 0.00 H new ATOM 0 HB VAL A 70 74.807 -3.538 5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 70 75.512 -5.333 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 70 76.788 -4.923 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 70 76.903 -4.345 7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.914 -3.613 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.234 -2.551 8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.025 -1.947 7.413 1.00 0.00 H new ATOM 1096 N ASP A 71 76.568 -2.369 3.704 1.00 0.00 N ATOM 1097 CA ASP A 71 77.153 -2.758 2.423 1.00 0.00 C ATOM 1098 C ASP A 71 78.606 -2.303 2.319 1.00 0.00 C ATOM 1099 O ASP A 71 79.467 -3.042 1.839 1.00 0.00 O ATOM 1100 CB ASP A 71 76.338 -2.171 1.270 1.00 0.00 C ATOM 1101 CG ASP A 71 75.946 -3.219 0.246 1.00 0.00 C ATOM 1102 OD1 ASP A 71 76.730 -3.449 -0.699 1.00 0.00 O ATOM 1103 OD2 ASP A 71 74.855 -3.809 0.389 1.00 0.00 O ATOM 0 H ASP A 71 75.683 -1.867 3.628 1.00 0.00 H new ATOM 0 HA ASP A 71 77.132 -3.846 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 71 75.438 -1.701 1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 71 76.917 -1.388 0.781 1.00 0.00 H new ATOM 1108 N VAL A 72 78.872 -1.084 2.772 1.00 0.00 N ATOM 1109 CA VAL A 72 80.219 -0.526 2.730 1.00 0.00 C ATOM 1110 C VAL A 72 81.128 -1.189 3.761 1.00 0.00 C ATOM 1111 O VAL A 72 82.350 -1.153 3.637 1.00 0.00 O ATOM 1112 CB VAL A 72 80.198 0.994 2.976 1.00 0.00 C ATOM 1113 CG1 VAL A 72 81.591 1.585 2.821 1.00 0.00 C ATOM 1114 CG2 VAL A 72 79.218 1.668 2.029 1.00 0.00 C ATOM 0 H VAL A 72 78.171 -0.461 3.174 1.00 0.00 H new ATOM 0 HA VAL A 72 80.613 -0.722 1.733 1.00 0.00 H new ATOM 0 HB VAL A 72 79.868 1.174 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 72 81.552 2.660 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 72 82.265 1.122 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 72 81.955 1.398 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 72 79.213 2.742 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 72 79.519 1.479 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 72 78.218 1.267 2.194 1.00 0.00 H new ATOM 1124 N SER A 73 80.525 -1.783 4.785 1.00 0.00 N ATOM 1125 CA SER A 73 81.284 -2.454 5.832 1.00 0.00 C ATOM 1126 C SER A 73 81.679 -3.865 5.404 1.00 0.00 C ATOM 1127 O SER A 73 82.856 -4.223 5.412 1.00 0.00 O ATOM 1128 CB SER A 73 80.466 -2.510 7.124 1.00 0.00 C ATOM 1129 OG SER A 73 81.023 -1.666 8.117 1.00 0.00 O ATOM 0 H SER A 73 79.513 -1.813 4.912 1.00 0.00 H new ATOM 0 HA SER A 73 82.195 -1.882 6.009 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.438 -2.209 6.921 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.431 -3.535 7.492 1.00 0.00 H new ATOM 0 HG SER A 73 80.481 -1.718 8.932 1.00 0.00 H new ATOM 1135 N GLU A 74 80.682 -4.660 5.027 1.00 0.00 N ATOM 1136 CA GLU A 74 80.915 -6.037 4.601 1.00 0.00 C ATOM 1137 C GLU A 74 81.761 -6.099 3.331 1.00 0.00 C ATOM 1138 O GLU A 74 82.386 -7.121 3.044 1.00 0.00 O ATOM 1139 CB GLU A 74 79.581 -6.750 4.370 1.00 0.00 C ATOM 1140 CG GLU A 74 78.636 -5.992 3.450 1.00 0.00 C ATOM 1141 CD GLU A 74 78.536 -6.620 2.073 1.00 0.00 C ATOM 1142 OE1 GLU A 74 78.697 -7.854 1.970 1.00 0.00 O ATOM 1143 OE2 GLU A 74 78.299 -5.876 1.098 1.00 0.00 O ATOM 0 H GLU A 74 79.703 -4.374 5.008 1.00 0.00 H new ATOM 0 HA GLU A 74 81.465 -6.540 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 74 79.774 -7.736 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 74 79.091 -6.906 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 74 77.645 -5.957 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 74 78.979 -4.962 3.352 1.00 0.00 H new ATOM 1150 N VAL A 75 81.781 -5.007 2.570 1.00 0.00 N ATOM 1151 CA VAL A 75 82.551 -4.950 1.328 1.00 0.00 C ATOM 1152 C VAL A 75 83.965 -5.499 1.517 1.00 0.00 C ATOM 1153 O VAL A 75 84.507 -6.161 0.631 1.00 0.00 O ATOM 1154 CB VAL A 75 82.634 -3.511 0.780 1.00 0.00 C ATOM 1155 CG1 VAL A 75 83.482 -2.633 1.689 1.00 0.00 C ATOM 1156 CG2 VAL A 75 83.185 -3.511 -0.638 1.00 0.00 C ATOM 0 H VAL A 75 81.274 -4.150 2.791 1.00 0.00 H new ATOM 0 HA VAL A 75 82.023 -5.574 0.607 1.00 0.00 H new ATOM 0 HB VAL A 75 81.626 -3.096 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 75 83.526 -1.623 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 75 83.038 -2.604 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 75 84.490 -3.042 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 75 83.236 -2.487 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 75 84.183 -3.948 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 75 82.530 -4.098 -1.283 1.00 0.00 H new ATOM 1166 N LEU A 76 84.556 -5.218 2.673 1.00 0.00 N ATOM 1167 CA LEU A 76 85.904 -5.684 2.975 1.00 0.00 C ATOM 1168 C LEU A 76 85.886 -7.137 3.442 1.00 0.00 C ATOM 1169 O LEU A 76 86.834 -7.887 3.209 1.00 0.00 O ATOM 1170 CB LEU A 76 86.543 -4.799 4.048 1.00 0.00 C ATOM 1171 CG LEU A 76 85.921 -4.918 5.441 1.00 0.00 C ATOM 1172 CD1 LEU A 76 86.688 -5.923 6.286 1.00 0.00 C ATOM 1173 CD2 LEU A 76 85.885 -3.560 6.128 1.00 0.00 C ATOM 0 H LEU A 76 84.123 -4.670 3.416 1.00 0.00 H new ATOM 0 HA LEU A 76 86.496 -5.622 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 76 87.602 -5.046 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 76 86.479 -3.760 3.726 1.00 0.00 H new ATOM 0 HG LEU A 76 84.897 -5.275 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 76 86.230 -5.993 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 76 86.661 -6.900 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 76 87.723 -5.597 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.439 -3.664 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 76 86.900 -3.175 6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 76 85.290 -2.867 5.533 1.00 0.00 H new ATOM 1185 N ARG A 77 84.799 -7.526 4.103 1.00 0.00 N ATOM 1186 CA ARG A 77 84.656 -8.888 4.604 1.00 0.00 C ATOM 1187 C ARG A 77 84.494 -9.880 3.456 1.00 0.00 C ATOM 1188 O ARG A 77 84.943 -11.022 3.543 1.00 0.00 O ATOM 1189 CB ARG A 77 83.454 -8.982 5.546 1.00 0.00 C ATOM 1190 CG ARG A 77 83.804 -8.748 7.007 1.00 0.00 C ATOM 1191 CD ARG A 77 82.567 -8.442 7.834 1.00 0.00 C ATOM 1192 NE ARG A 77 82.629 -9.052 9.160 1.00 0.00 N ATOM 1193 CZ ARG A 77 81.566 -9.244 9.937 1.00 0.00 C ATOM 1194 NH1 ARG A 77 80.359 -8.874 9.527 1.00 0.00 N ATOM 1195 NH2 ARG A 77 81.710 -9.806 11.130 1.00 0.00 N ATOM 0 H ARG A 77 84.006 -6.917 4.304 1.00 0.00 H new ATOM 0 HA ARG A 77 85.563 -9.142 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 77 82.705 -8.252 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 77 82.999 -9.967 5.444 1.00 0.00 H new ATOM 0 HG2 ARG A 77 84.302 -9.630 7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 77 84.509 -7.920 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 77 82.458 -7.362 7.937 1.00 0.00 H new ATOM 0 HD3 ARG A 77 81.682 -8.803 7.310 1.00 0.00 H new ATOM 0 HE ARG A 77 83.540 -9.348 9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 77 80.242 -8.440 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 77 79.548 -9.024 10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 77 82.635 -10.091 11.451 1.00 0.00 H new ATOM 0 HH22 ARG A 77 80.895 -9.953 11.726 1.00 0.00 H new ATOM 1209 N ASP A 78 83.849 -9.436 2.382 1.00 0.00 N ATOM 1210 CA ASP A 78 83.627 -10.286 1.218 1.00 0.00 C ATOM 1211 C ASP A 78 84.950 -10.802 0.657 1.00 0.00 C ATOM 1212 O ASP A 78 85.208 -12.005 0.657 1.00 0.00 O ATOM 1213 CB ASP A 78 82.868 -9.516 0.135 1.00 0.00 C ATOM 1214 CG ASP A 78 82.114 -10.435 -0.807 1.00 0.00 C ATOM 1215 OD1 ASP A 78 82.690 -11.463 -1.221 1.00 0.00 O ATOM 1216 OD2 ASP A 78 80.948 -10.126 -1.129 1.00 0.00 O ATOM 0 H ASP A 78 83.471 -8.493 2.294 1.00 0.00 H new ATOM 0 HA ASP A 78 83.030 -11.141 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 78 82.166 -8.828 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 78 83.571 -8.911 -0.437 1.00 0.00 H new ATOM 1221 N GLY A 79 85.782 -9.882 0.181 1.00 0.00 N ATOM 1222 CA GLY A 79 87.067 -10.263 -0.378 1.00 0.00 C ATOM 1223 C GLY A 79 87.244 -9.771 -1.801 1.00 0.00 C ATOM 1224 O GLY A 79 87.756 -10.494 -2.656 1.00 0.00 O ATOM 0 H GLY A 79 85.590 -8.880 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 79 87.866 -9.860 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 79 87.163 -11.349 -0.357 1.00 0.00 H new ATOM 1228 N THR A 80 86.819 -8.538 -2.054 1.00 0.00 N ATOM 1229 CA THR A 80 86.930 -7.947 -3.382 1.00 0.00 C ATOM 1230 C THR A 80 87.563 -6.558 -3.312 1.00 0.00 C ATOM 1231 O THR A 80 87.794 -6.030 -2.225 1.00 0.00 O ATOM 1232 CB THR A 80 85.553 -7.846 -4.066 1.00 0.00 C ATOM 1233 OG1 THR A 80 84.513 -7.940 -3.085 1.00 0.00 O ATOM 1234 CG2 THR A 80 85.380 -8.946 -5.102 1.00 0.00 C ATOM 0 H THR A 80 86.394 -7.928 -1.356 1.00 0.00 H new ATOM 0 HA THR A 80 87.570 -8.603 -3.973 1.00 0.00 H new ATOM 0 HB THR A 80 85.492 -6.882 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 80 83.640 -7.873 -3.526 1.00 0.00 H new ATOM 0 HG21 THR A 80 84.400 -8.853 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 80 86.156 -8.855 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 80 85.459 -9.919 -4.617 1.00 0.00 H new ATOM 1242 N PRO A 81 87.852 -5.949 -4.475 1.00 0.00 N ATOM 1243 CA PRO A 81 88.462 -4.617 -4.536 1.00 0.00 C ATOM 1244 C PRO A 81 87.628 -3.561 -3.817 1.00 0.00 C ATOM 1245 O PRO A 81 86.783 -3.886 -2.984 1.00 0.00 O ATOM 1246 CB PRO A 81 88.528 -4.313 -6.037 1.00 0.00 C ATOM 1247 CG PRO A 81 88.471 -5.647 -6.700 1.00 0.00 C ATOM 1248 CD PRO A 81 87.613 -6.508 -5.818 1.00 0.00 C ATOM 0 HA PRO A 81 89.434 -4.598 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 81 87.697 -3.681 -6.349 1.00 0.00 H new ATOM 0 HB3 PRO A 81 89.445 -3.783 -6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 81 88.047 -5.568 -7.701 1.00 0.00 H new ATOM 0 HG3 PRO A 81 89.469 -6.072 -6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 81 86.561 -6.450 -6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 81 87.901 -7.558 -5.875 1.00 0.00 H new ATOM 1256 N ARG A 82 87.872 -2.296 -4.146 1.00 0.00 N ATOM 1257 CA ARG A 82 87.148 -1.194 -3.526 1.00 0.00 C ATOM 1258 C ARG A 82 87.023 -0.008 -4.479 1.00 0.00 C ATOM 1259 O ARG A 82 87.879 0.206 -5.338 1.00 0.00 O ATOM 1260 CB ARG A 82 87.850 -0.759 -2.237 1.00 0.00 C ATOM 1261 CG ARG A 82 87.152 -1.240 -0.976 1.00 0.00 C ATOM 1262 CD ARG A 82 85.819 -0.537 -0.775 1.00 0.00 C ATOM 1263 NE ARG A 82 85.923 0.571 0.171 1.00 0.00 N ATOM 1264 CZ ARG A 82 85.077 1.598 0.209 1.00 0.00 C ATOM 1265 NH1 ARG A 82 84.059 1.662 -0.641 1.00 0.00 N ATOM 1266 NH2 ARG A 82 85.250 2.564 1.100 1.00 0.00 N ATOM 0 H ARG A 82 88.565 -2.010 -4.838 1.00 0.00 H new ATOM 0 HA ARG A 82 86.144 -1.544 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 82 88.872 -1.137 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 82 87.913 0.329 -2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 82 86.992 -2.316 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 82 87.793 -1.061 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG A 82 85.458 -0.163 -1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 82 85.082 -1.254 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 82 86.690 0.557 0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 82 83.921 0.921 -1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 82 83.415 2.452 -0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 82 86.031 2.520 1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 82 84.603 3.352 1.130 1.00 0.00 H new ATOM 1280 N ARG A 83 85.948 0.757 -4.318 1.00 0.00 N ATOM 1281 CA ARG A 83 85.700 1.925 -5.154 1.00 0.00 C ATOM 1282 C ARG A 83 86.121 3.201 -4.431 1.00 0.00 C ATOM 1283 O ARG A 83 86.087 3.266 -3.201 1.00 0.00 O ATOM 1284 CB ARG A 83 84.222 2.001 -5.539 1.00 0.00 C ATOM 1285 CG ARG A 83 83.796 0.924 -6.523 1.00 0.00 C ATOM 1286 CD ARG A 83 82.288 0.906 -6.716 1.00 0.00 C ATOM 1287 NE ARG A 83 81.780 -0.446 -6.940 1.00 0.00 N ATOM 1288 CZ ARG A 83 82.062 -1.176 -8.017 1.00 0.00 C ATOM 1289 NH1 ARG A 83 82.843 -0.688 -8.974 1.00 0.00 N ATOM 1290 NH2 ARG A 83 81.560 -2.397 -8.139 1.00 0.00 N ATOM 0 H ARG A 83 85.232 0.587 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 83 86.294 1.828 -6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 83 83.615 1.919 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 83 84.018 2.980 -5.973 1.00 0.00 H new ATOM 0 HG2 ARG A 83 84.284 1.094 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 83 84.129 -0.050 -6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 83 81.805 1.334 -5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 83 82.024 1.538 -7.564 1.00 0.00 H new ATOM 0 HE ARG A 83 81.173 -0.854 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 83 83.231 0.251 -8.886 1.00 0.00 H new ATOM 0 HH12 ARG A 83 83.055 -1.253 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 83 80.958 -2.776 -7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 83 81.776 -2.957 -8.964 1.00 0.00 H new ATOM 1304 N ASP A 84 86.516 4.214 -5.195 1.00 0.00 N ATOM 1305 CA ASP A 84 86.955 5.479 -4.612 1.00 0.00 C ATOM 1306 C ASP A 84 85.846 6.519 -4.632 1.00 0.00 C ATOM 1307 O ASP A 84 84.969 6.505 -5.495 1.00 0.00 O ATOM 1308 CB ASP A 84 88.186 6.026 -5.332 1.00 0.00 C ATOM 1309 CG ASP A 84 88.130 5.823 -6.834 1.00 0.00 C ATOM 1310 OD1 ASP A 84 88.146 4.654 -7.275 1.00 0.00 O ATOM 1311 OD2 ASP A 84 88.067 6.831 -7.568 1.00 0.00 O ATOM 0 H ASP A 84 86.542 4.186 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 84 87.218 5.272 -3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 84 88.283 7.090 -5.118 1.00 0.00 H new ATOM 0 HB3 ASP A 84 89.078 5.539 -4.938 1.00 0.00 H new ATOM 1316 N GLU A 85 85.903 7.419 -3.661 1.00 0.00 N ATOM 1317 CA GLU A 85 84.907 8.473 -3.512 1.00 0.00 C ATOM 1318 C GLU A 85 85.536 9.858 -3.632 1.00 0.00 C ATOM 1319 O GLU A 85 86.701 10.055 -3.286 1.00 0.00 O ATOM 1320 CB GLU A 85 84.217 8.340 -2.154 1.00 0.00 C ATOM 1321 CG GLU A 85 85.149 7.866 -1.047 1.00 0.00 C ATOM 1322 CD GLU A 85 85.168 8.806 0.144 1.00 0.00 C ATOM 1323 OE1 GLU A 85 84.102 8.996 0.766 1.00 0.00 O ATOM 1324 OE2 GLU A 85 86.248 9.352 0.453 1.00 0.00 O ATOM 0 H GLU A 85 86.639 7.440 -2.955 1.00 0.00 H new ATOM 0 HA GLU A 85 84.177 8.362 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 85 83.793 9.304 -1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 85 83.386 7.640 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 85 84.840 6.874 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 85 86.159 7.769 -1.445 1.00 0.00 H new ATOM 1331 N GLU A 86 84.755 10.816 -4.118 1.00 0.00 N ATOM 1332 CA GLU A 86 85.230 12.186 -4.277 1.00 0.00 C ATOM 1333 C GLU A 86 84.587 13.110 -3.277 1.00 0.00 C ATOM 1334 O GLU A 86 83.485 13.623 -3.468 1.00 0.00 O ATOM 1335 CB GLU A 86 84.937 12.673 -5.701 1.00 0.00 C ATOM 1336 CG GLU A 86 85.262 14.141 -5.930 1.00 0.00 C ATOM 1337 CD GLU A 86 85.650 14.434 -7.366 1.00 0.00 C ATOM 1338 OE1 GLU A 86 85.179 13.710 -8.268 1.00 0.00 O ATOM 1339 OE2 GLU A 86 86.425 15.388 -7.588 1.00 0.00 O ATOM 0 H GLU A 86 83.789 10.669 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 86 86.305 12.195 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 86 85.510 12.070 -6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 86 83.883 12.506 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 86 84.397 14.747 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 86 86.077 14.436 -5.270 1.00 0.00 H new ATOM 1346 N ILE A 87 85.320 13.301 -2.204 1.00 0.00 N ATOM 1347 CA ILE A 87 84.970 14.249 -1.193 1.00 0.00 C ATOM 1348 C ILE A 87 86.094 15.231 -1.316 1.00 0.00 C ATOM 1349 O ILE A 87 87.158 15.047 -0.737 1.00 0.00 O ATOM 1350 CB ILE A 87 84.924 13.621 0.225 1.00 0.00 C ATOM 1351 CG1 ILE A 87 83.499 13.176 0.561 1.00 0.00 C ATOM 1352 CG2 ILE A 87 85.444 14.592 1.281 1.00 0.00 C ATOM 1353 CD1 ILE A 87 83.418 11.766 1.105 1.00 0.00 C ATOM 0 H ILE A 87 86.184 12.793 -2.015 1.00 0.00 H new ATOM 0 HA ILE A 87 83.974 14.674 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 87 85.577 12.748 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.075 13.864 1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 87 82.884 13.246 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 87 85.398 14.121 2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 87 86.476 14.858 1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 87 84.829 15.492 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 87 82.379 11.518 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 87 83.811 11.068 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 87 84.006 11.695 2.020 1.00 0.00 H new ATOM 1365 N THR A 88 85.866 16.269 -2.081 1.00 0.00 N ATOM 1366 CA THR A 88 86.924 17.202 -2.352 1.00 0.00 C ATOM 1367 C THR A 88 86.701 18.537 -1.649 1.00 0.00 C ATOM 1368 O THR A 88 85.918 19.371 -2.103 1.00 0.00 O ATOM 1369 CB THR A 88 87.108 17.400 -3.874 1.00 0.00 C ATOM 1370 OG1 THR A 88 87.475 18.753 -4.168 1.00 0.00 O ATOM 1371 CG2 THR A 88 85.849 17.031 -4.639 1.00 0.00 C ATOM 0 H THR A 88 84.971 16.485 -2.520 1.00 0.00 H new ATOM 0 HA THR A 88 87.843 16.776 -1.949 1.00 0.00 H new ATOM 0 HB THR A 88 87.910 16.735 -4.194 1.00 0.00 H new ATOM 0 HG1 THR A 88 86.801 19.155 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 88 86.014 17.182 -5.706 1.00 0.00 H new ATOM 0 HG22 THR A 88 85.605 15.985 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 88 85.024 17.661 -4.307 1.00 0.00 H new ATOM 1379 N ILE A 89 87.399 18.726 -0.533 1.00 0.00 N ATOM 1380 CA ILE A 89 87.283 19.947 0.259 1.00 0.00 C ATOM 1381 C ILE A 89 87.374 21.201 -0.609 1.00 0.00 C ATOM 1382 O ILE A 89 86.669 22.183 -0.371 1.00 0.00 O ATOM 1383 CB ILE A 89 88.368 20.002 1.354 1.00 0.00 C ATOM 1384 CG1 ILE A 89 89.753 20.202 0.735 1.00 0.00 C ATOM 1385 CG2 ILE A 89 88.337 18.728 2.188 1.00 0.00 C ATOM 1386 CD1 ILE A 89 90.865 20.297 1.757 1.00 0.00 C ATOM 0 H ILE A 89 88.056 18.044 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 89 86.299 19.923 0.727 1.00 0.00 H new ATOM 0 HB ILE A 89 88.160 20.852 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.962 19.374 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 89 89.745 21.111 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 89 89.107 18.778 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 89 87.359 18.625 2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 89 88.522 17.868 1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 89 91.818 20.438 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 89 90.679 21.143 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.900 19.379 2.343 1.00 0.00 H new ATOM 1398 N LYS A 90 88.241 21.164 -1.615 1.00 0.00 N ATOM 1399 CA LYS A 90 88.419 22.303 -2.508 1.00 0.00 C ATOM 1400 C LYS A 90 88.418 21.864 -3.970 1.00 0.00 C ATOM 1401 O LYS A 90 87.777 22.488 -4.815 1.00 0.00 O ATOM 1402 CB LYS A 90 89.725 23.032 -2.185 1.00 0.00 C ATOM 1403 CG LYS A 90 89.960 24.268 -3.039 1.00 0.00 C ATOM 1404 CD LYS A 90 90.968 24.000 -4.145 1.00 0.00 C ATOM 1405 CE LYS A 90 92.377 23.854 -3.591 1.00 0.00 C ATOM 1406 NZ LYS A 90 93.160 22.826 -4.330 1.00 0.00 N ATOM 0 H LYS A 90 88.830 20.360 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 90 87.581 22.982 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 90 89.719 23.322 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 90 90.559 22.343 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 90 89.016 24.593 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 90 90.317 25.083 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 90 90.690 23.092 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 90 90.943 24.816 -4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 90 92.891 24.813 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 90 92.326 23.583 -2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 94.114 22.757 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 92.683 21.905 -4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 93.231 23.097 -5.332 1.00 0.00 H new ATOM 1420 N ASP A 91 89.140 20.786 -4.260 1.00 0.00 N ATOM 1421 CA ASP A 91 89.222 20.269 -5.622 1.00 0.00 C ATOM 1422 C ASP A 91 89.768 18.844 -5.636 1.00 0.00 C ATOM 1423 O ASP A 91 89.300 17.998 -6.398 1.00 0.00 O ATOM 1424 CB ASP A 91 90.108 21.175 -6.480 1.00 0.00 C ATOM 1425 CG ASP A 91 90.088 20.784 -7.945 1.00 0.00 C ATOM 1426 OD1 ASP A 91 89.172 21.233 -8.666 1.00 0.00 O ATOM 1427 OD2 ASP A 91 90.987 20.030 -8.371 1.00 0.00 O ATOM 0 H ASP A 91 89.675 20.255 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 91 88.215 20.255 -6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 91 89.774 22.208 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 91 91.132 21.133 -6.110 1.00 0.00 H new ATOM 1432 N ARG A 92 90.760 18.585 -4.791 1.00 0.00 N ATOM 1433 CA ARG A 92 91.368 17.262 -4.709 1.00 0.00 C ATOM 1434 C ARG A 92 90.409 16.251 -4.087 1.00 0.00 C ATOM 1435 O ARG A 92 90.278 16.173 -2.864 1.00 0.00 O ATOM 1436 CB ARG A 92 92.662 17.324 -3.895 1.00 0.00 C ATOM 1437 CG ARG A 92 93.911 17.461 -4.752 1.00 0.00 C ATOM 1438 CD ARG A 92 94.819 18.570 -4.245 1.00 0.00 C ATOM 1439 NE ARG A 92 95.655 19.123 -5.309 1.00 0.00 N ATOM 1440 CZ ARG A 92 96.457 20.173 -5.149 1.00 0.00 C ATOM 1441 NH1 ARG A 92 96.535 20.785 -3.975 1.00 0.00 N ATOM 1442 NH2 ARG A 92 97.184 20.611 -6.168 1.00 0.00 N ATOM 0 H ARG A 92 91.160 19.273 -4.153 1.00 0.00 H new ATOM 0 HA ARG A 92 91.597 16.935 -5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 92 92.609 18.167 -3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 92 92.744 16.422 -3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 92 94.456 16.517 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 92 93.625 17.667 -5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 92 94.213 19.365 -3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 92 95.455 18.182 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 92 95.622 18.679 -6.227 1.00 0.00 H new ATOM 0 HH11 ARG A 92 95.978 20.451 -3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 92 97.152 21.589 -3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 92 97.128 20.143 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 92 97.799 21.416 -6.047 1.00 0.00 H new ATOM 1456 N LEU A 93 89.739 15.480 -4.938 1.00 0.00 N ATOM 1457 CA LEU A 93 88.794 14.462 -4.483 1.00 0.00 C ATOM 1458 C LEU A 93 89.424 13.580 -3.399 1.00 0.00 C ATOM 1459 O LEU A 93 90.552 13.111 -3.550 1.00 0.00 O ATOM 1460 CB LEU A 93 88.355 13.594 -5.668 1.00 0.00 C ATOM 1461 CG LEU A 93 89.438 12.680 -6.248 1.00 0.00 C ATOM 1462 CD1 LEU A 93 88.813 11.595 -7.111 1.00 0.00 C ATOM 1463 CD2 LEU A 93 90.446 13.487 -7.053 1.00 0.00 C ATOM 0 H LEU A 93 89.833 15.540 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 93 87.925 14.964 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 93 87.513 12.977 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 93 87.992 14.248 -6.461 1.00 0.00 H new ATOM 0 HG LEU A 93 89.963 12.203 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 93 89.597 10.955 -7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 93 88.132 10.997 -6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 93 88.262 12.055 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 93 91.207 12.819 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 93 89.936 13.993 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 93 90.918 14.227 -6.407 1.00 0.00 H new ATOM 1475 N LEU A 94 88.698 13.365 -2.304 1.00 0.00 N ATOM 1476 CA LEU A 94 89.198 12.532 -1.210 1.00 0.00 C ATOM 1477 C LEU A 94 88.562 11.148 -1.253 1.00 0.00 C ATOM 1478 O LEU A 94 87.361 11.000 -1.030 1.00 0.00 O ATOM 1479 CB LEU A 94 88.913 13.175 0.151 1.00 0.00 C ATOM 1480 CG LEU A 94 89.514 14.568 0.362 1.00 0.00 C ATOM 1481 CD1 LEU A 94 88.774 15.306 1.470 1.00 0.00 C ATOM 1482 CD2 LEU A 94 90.997 14.464 0.683 1.00 0.00 C ATOM 0 H LEU A 94 87.767 13.753 -2.150 1.00 0.00 H new ATOM 0 HA LEU A 94 90.276 12.440 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 94 87.833 13.241 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 94 89.290 12.514 0.931 1.00 0.00 H new ATOM 0 HG LEU A 94 89.402 15.137 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 94 89.214 16.294 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 94 87.724 15.411 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 94 88.854 14.742 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 94 91.408 15.463 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 94 91.132 13.878 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 94 91.515 13.976 -0.143 1.00 0.00 H new ATOM 1494 N LEU A 95 89.372 10.133 -1.540 1.00 0.00 N ATOM 1495 CA LEU A 95 88.878 8.764 -1.598 1.00 0.00 C ATOM 1496 C LEU A 95 89.602 7.887 -0.584 1.00 0.00 C ATOM 1497 O LEU A 95 90.721 7.433 -0.823 1.00 0.00 O ATOM 1498 CB LEU A 95 89.049 8.187 -3.004 1.00 0.00 C ATOM 1499 CG LEU A 95 90.375 8.525 -3.689 1.00 0.00 C ATOM 1500 CD1 LEU A 95 90.796 7.399 -4.619 1.00 0.00 C ATOM 1501 CD2 LEU A 95 90.259 9.836 -4.453 1.00 0.00 C ATOM 0 H LEU A 95 90.368 10.233 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 95 87.816 8.779 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 95 88.953 7.103 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 95 88.233 8.548 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 95 91.141 8.640 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 95 91.741 7.656 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.918 6.480 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 95 90.031 7.252 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 95 91.210 10.062 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 95 89.481 9.748 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 95 90.003 10.639 -3.762 1.00 0.00 H new ATOM 1513 N ILE A 96 88.952 7.653 0.550 1.00 0.00 N ATOM 1514 CA ILE A 96 89.526 6.831 1.605 1.00 0.00 C ATOM 1515 C ILE A 96 88.788 5.500 1.714 1.00 0.00 C ATOM 1516 O ILE A 96 87.713 5.421 2.307 1.00 0.00 O ATOM 1517 CB ILE A 96 89.475 7.557 2.966 1.00 0.00 C ATOM 1518 CG1 ILE A 96 90.103 8.950 2.851 1.00 0.00 C ATOM 1519 CG2 ILE A 96 90.187 6.736 4.032 1.00 0.00 C ATOM 1520 CD1 ILE A 96 89.219 9.966 2.155 1.00 0.00 C ATOM 0 H ILE A 96 88.025 8.022 0.761 1.00 0.00 H new ATOM 0 HA ILE A 96 90.568 6.645 1.344 1.00 0.00 H new ATOM 0 HB ILE A 96 88.432 7.672 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 96 90.341 9.314 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 96 91.045 8.870 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 96 90.142 7.261 4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 96 89.700 5.765 4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 96 91.229 6.592 3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 96 89.733 10.927 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 96 89.001 9.626 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 96 88.287 10.077 2.709 1.00 0.00 H new ATOM 1532 N ASN A 97 89.375 4.454 1.135 1.00 0.00 N ATOM 1533 CA ASN A 97 88.766 3.128 1.156 1.00 0.00 C ATOM 1534 C ASN A 97 89.746 2.073 1.659 1.00 0.00 C ATOM 1535 O ASN A 97 90.956 2.203 1.489 1.00 0.00 O ATOM 1536 CB ASN A 97 88.274 2.751 -0.242 1.00 0.00 C ATOM 1537 CG ASN A 97 89.359 2.887 -1.294 1.00 0.00 C ATOM 1538 OD1 ASN A 97 89.907 1.890 -1.768 1.00 0.00 O ATOM 1539 ND2 ASN A 97 89.675 4.122 -1.662 1.00 0.00 N ATOM 0 H ASN A 97 90.269 4.500 0.647 1.00 0.00 H new ATOM 0 HA ASN A 97 87.920 3.162 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 97 87.909 1.724 -0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 97 87.430 3.386 -0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 97 90.398 4.275 -2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 97 89.195 4.918 -1.242 1.00 0.00 H new ATOM 1546 N THR A 98 89.211 1.030 2.285 1.00 0.00 N ATOM 1547 CA THR A 98 90.036 -0.051 2.809 1.00 0.00 C ATOM 1548 C THR A 98 89.799 -1.344 2.033 1.00 0.00 C ATOM 1549 O THR A 98 88.665 -1.803 1.901 1.00 0.00 O ATOM 1550 CB THR A 98 89.754 -0.303 4.303 1.00 0.00 C ATOM 1551 OG1 THR A 98 88.428 -0.819 4.472 1.00 0.00 O ATOM 1552 CG2 THR A 98 89.909 0.980 5.105 1.00 0.00 C ATOM 0 H THR A 98 88.210 0.911 2.441 1.00 0.00 H new ATOM 0 HA THR A 98 91.075 0.258 2.692 1.00 0.00 H new ATOM 0 HB THR A 98 90.476 -1.033 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 98 88.158 -1.299 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 98 89.705 0.779 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 98 90.927 1.355 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 98 89.206 1.727 4.736 1.00 0.00 H new ATOM 1560 N VAL A 99 90.879 -1.926 1.520 1.00 0.00 N ATOM 1561 CA VAL A 99 90.790 -3.164 0.753 1.00 0.00 C ATOM 1562 C VAL A 99 91.259 -4.361 1.578 1.00 0.00 C ATOM 1563 O VAL A 99 92.115 -4.222 2.452 1.00 0.00 O ATOM 1564 CB VAL A 99 91.628 -3.088 -0.537 1.00 0.00 C ATOM 1565 CG1 VAL A 99 91.040 -2.068 -1.498 1.00 0.00 C ATOM 1566 CG2 VAL A 99 93.076 -2.752 -0.212 1.00 0.00 C ATOM 0 H VAL A 99 91.826 -1.560 1.622 1.00 0.00 H new ATOM 0 HA VAL A 99 89.740 -3.295 0.490 1.00 0.00 H new ATOM 0 HB VAL A 99 91.604 -4.064 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 99 91.646 -2.029 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 99 90.021 -2.356 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 99 91.031 -1.086 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 99 93.654 -2.702 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 99 93.121 -1.789 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 99 93.492 -3.524 0.436 1.00 0.00 H new ATOM 1576 N PRO A 100 90.704 -5.556 1.308 1.00 0.00 N ATOM 1577 CA PRO A 100 91.061 -6.776 2.014 1.00 0.00 C ATOM 1578 C PRO A 100 92.066 -7.625 1.240 1.00 0.00 C ATOM 1579 O PRO A 100 91.750 -8.170 0.182 1.00 0.00 O ATOM 1580 CB PRO A 100 89.716 -7.487 2.081 1.00 0.00 C ATOM 1581 CG PRO A 100 89.040 -7.129 0.792 1.00 0.00 C ATOM 1582 CD PRO A 100 89.641 -5.818 0.323 1.00 0.00 C ATOM 0 HA PRO A 100 91.538 -6.589 2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 100 89.841 -8.565 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 100 89.134 -7.155 2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 100 89.192 -7.911 0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 100 87.964 -7.030 0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 100 90.041 -5.899 -0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 100 88.900 -5.019 0.310 1.00 0.00 H new ATOM 1590 N VAL A 101 93.279 -7.731 1.774 1.00 0.00 N ATOM 1591 CA VAL A 101 94.330 -8.513 1.133 1.00 0.00 C ATOM 1592 C VAL A 101 94.008 -10.003 1.172 1.00 0.00 C ATOM 1593 O VAL A 101 93.487 -10.510 2.165 1.00 0.00 O ATOM 1594 CB VAL A 101 95.697 -8.276 1.805 1.00 0.00 C ATOM 1595 CG1 VAL A 101 96.799 -9.003 1.050 1.00 0.00 C ATOM 1596 CG2 VAL A 101 95.997 -6.788 1.897 1.00 0.00 C ATOM 0 H VAL A 101 93.558 -7.286 2.648 1.00 0.00 H new ATOM 0 HA VAL A 101 94.382 -8.182 0.096 1.00 0.00 H new ATOM 0 HB VAL A 101 95.656 -8.679 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 101 97.756 -8.823 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 101 96.590 -10.073 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 101 96.842 -8.635 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 101 96.966 -6.641 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 101 96.017 -6.358 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 101 95.224 -6.297 2.487 1.00 0.00 H new ATOM 1606 N ARG A 102 94.322 -10.700 0.083 1.00 0.00 N ATOM 1607 CA ARG A 102 94.065 -12.132 -0.011 1.00 0.00 C ATOM 1608 C ARG A 102 92.569 -12.422 0.045 1.00 0.00 C ATOM 1609 O ARG A 102 91.854 -11.891 0.895 1.00 0.00 O ATOM 1610 CB ARG A 102 94.787 -12.878 1.116 1.00 0.00 C ATOM 1611 CG ARG A 102 95.552 -14.103 0.641 1.00 0.00 C ATOM 1612 CD ARG A 102 96.614 -13.737 -0.384 1.00 0.00 C ATOM 1613 NE ARG A 102 97.901 -14.360 -0.086 1.00 0.00 N ATOM 1614 CZ ARG A 102 98.710 -13.957 0.892 1.00 0.00 C ATOM 1615 NH1 ARG A 102 98.370 -12.934 1.665 1.00 0.00 N ATOM 1616 NH2 ARG A 102 99.863 -14.580 1.097 1.00 0.00 N ATOM 0 H ARG A 102 94.755 -10.295 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 102 94.447 -12.482 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 102 95.480 -12.195 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 102 94.056 -13.184 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 102 96.022 -14.592 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 102 94.857 -14.820 0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 102 96.283 -14.046 -1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 102 96.733 -12.654 -0.411 1.00 0.00 H new ATOM 0 HE ARG A 102 98.197 -15.149 -0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 102 97.485 -12.451 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 102 98.994 -12.630 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 102 100.130 -15.367 0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 102 100.483 -14.272 1.846 1.00 0.00 H new ATOM 1630 N SER A 103 92.100 -13.267 -0.868 1.00 0.00 N ATOM 1631 CA SER A 103 90.687 -13.623 -0.926 1.00 0.00 C ATOM 1632 C SER A 103 90.424 -14.937 -0.197 1.00 0.00 C ATOM 1633 O SER A 103 91.075 -15.948 -0.460 1.00 0.00 O ATOM 1634 CB SER A 103 90.227 -13.733 -2.381 1.00 0.00 C ATOM 1635 OG SER A 103 90.505 -12.541 -3.095 1.00 0.00 O ATOM 0 H SER A 103 92.678 -13.718 -1.577 1.00 0.00 H new ATOM 0 HA SER A 103 90.120 -12.835 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 103 90.728 -14.574 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 103 89.157 -13.939 -2.413 1.00 0.00 H new ATOM 0 HG SER A 103 90.203 -12.637 -4.022 1.00 0.00 H new ATOM 1641 N ASN A 104 89.464 -14.914 0.723 1.00 0.00 N ATOM 1642 CA ASN A 104 89.109 -16.103 1.490 1.00 0.00 C ATOM 1643 C ASN A 104 90.307 -16.622 2.277 1.00 0.00 C ATOM 1644 O ASN A 104 91.453 -16.284 1.980 1.00 0.00 O ATOM 1645 CB ASN A 104 88.583 -17.197 0.561 1.00 0.00 C ATOM 1646 CG ASN A 104 87.451 -17.990 1.185 1.00 0.00 C ATOM 1647 OD1 ASN A 104 86.583 -17.432 1.854 1.00 0.00 O ATOM 1648 ND2 ASN A 104 87.455 -19.300 0.967 1.00 0.00 N ATOM 0 H ASN A 104 88.918 -14.084 0.955 1.00 0.00 H new ATOM 0 HA ASN A 104 88.326 -15.827 2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 104 88.237 -16.745 -0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 104 89.398 -17.873 0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 104 86.718 -19.885 1.361 1.00 0.00 H new ATOM 0 HD22 ASN A 104 88.195 -19.721 0.406 1.00 0.00 H new ATOM 1655 N GLY A 105 90.035 -17.447 3.284 1.00 0.00 N ATOM 1656 CA GLY A 105 91.099 -18.001 4.100 1.00 0.00 C ATOM 1657 C GLY A 105 91.657 -16.996 5.087 1.00 0.00 C ATOM 1658 O GLY A 105 91.311 -17.019 6.269 1.00 0.00 O ATOM 0 H GLY A 105 89.095 -17.742 3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 105 90.722 -18.868 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 105 91.902 -18.354 3.453 1.00 0.00 H new ATOM 1662 N VAL A 106 92.523 -16.112 4.603 1.00 0.00 N ATOM 1663 CA VAL A 106 93.130 -15.094 5.452 1.00 0.00 C ATOM 1664 C VAL A 106 92.512 -13.723 5.191 1.00 0.00 C ATOM 1665 O VAL A 106 93.148 -12.842 4.612 1.00 0.00 O ATOM 1666 CB VAL A 106 94.653 -15.011 5.229 1.00 0.00 C ATOM 1667 CG1 VAL A 106 95.298 -14.113 6.274 1.00 0.00 C ATOM 1668 CG2 VAL A 106 95.273 -16.399 5.252 1.00 0.00 C ATOM 0 H VAL A 106 92.820 -16.080 3.628 1.00 0.00 H new ATOM 0 HA VAL A 106 92.938 -15.386 6.485 1.00 0.00 H new ATOM 0 HB VAL A 106 94.834 -14.574 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 106 96.373 -14.067 6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 106 94.876 -13.111 6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 106 95.108 -14.517 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 106 96.348 -16.320 5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 106 95.083 -16.867 6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 106 94.833 -17.007 4.462 1.00 0.00 H new ATOM 1678 N ILE A 107 91.267 -13.549 5.622 1.00 0.00 N ATOM 1679 CA ILE A 107 90.563 -12.286 5.435 1.00 0.00 C ATOM 1680 C ILE A 107 90.010 -11.765 6.760 1.00 0.00 C ATOM 1681 O ILE A 107 88.802 -11.799 6.999 1.00 0.00 O ATOM 1682 CB ILE A 107 89.410 -12.433 4.419 1.00 0.00 C ATOM 1683 CG1 ILE A 107 88.728 -11.081 4.184 1.00 0.00 C ATOM 1684 CG2 ILE A 107 88.403 -13.470 4.897 1.00 0.00 C ATOM 1685 CD1 ILE A 107 88.627 -10.704 2.722 1.00 0.00 C ATOM 0 H ILE A 107 90.725 -14.267 6.103 1.00 0.00 H new ATOM 0 HA ILE A 107 91.286 -11.570 5.045 1.00 0.00 H new ATOM 0 HB ILE A 107 89.826 -12.776 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 107 87.727 -11.108 4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 107 89.282 -10.306 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 107 87.598 -13.559 4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 107 88.899 -14.434 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 107 87.990 -13.160 5.857 1.00 0.00 H new ATOM 0 HD11 ILE A 107 88.134 -9.736 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 107 89.627 -10.645 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 107 88.047 -11.459 2.191 1.00 0.00 H new ATOM 1697 N ILE A 108 90.902 -11.284 7.618 1.00 0.00 N ATOM 1698 CA ILE A 108 90.506 -10.757 8.918 1.00 0.00 C ATOM 1699 C ILE A 108 90.887 -9.285 9.054 1.00 0.00 C ATOM 1700 O ILE A 108 90.092 -8.468 9.520 1.00 0.00 O ATOM 1701 CB ILE A 108 91.150 -11.556 10.068 1.00 0.00 C ATOM 1702 CG1 ILE A 108 90.654 -11.043 11.425 1.00 0.00 C ATOM 1703 CG2 ILE A 108 92.668 -11.479 9.986 1.00 0.00 C ATOM 1704 CD1 ILE A 108 90.068 -12.127 12.303 1.00 0.00 C ATOM 0 H ILE A 108 91.905 -11.248 7.436 1.00 0.00 H new ATOM 0 HA ILE A 108 89.422 -10.854 8.983 1.00 0.00 H new ATOM 0 HB ILE A 108 90.854 -12.600 9.970 1.00 0.00 H new ATOM 0 HG12 ILE A 108 91.483 -10.570 11.951 1.00 0.00 H new ATOM 0 HG13 ILE A 108 89.900 -10.273 11.260 1.00 0.00 H new ATOM 0 HG21 ILE A 108 93.106 -12.049 10.806 1.00 0.00 H new ATOM 0 HG22 ILE A 108 93.003 -11.895 9.036 1.00 0.00 H new ATOM 0 HG23 ILE A 108 92.984 -10.438 10.058 1.00 0.00 H new ATOM 0 HD11 ILE A 108 89.738 -11.692 13.246 1.00 0.00 H new ATOM 0 HD12 ILE A 108 89.218 -12.585 11.797 1.00 0.00 H new ATOM 0 HD13 ILE A 108 90.826 -12.886 12.499 1.00 0.00 H new ATOM 1716 N GLY A 109 92.107 -8.954 8.645 1.00 0.00 N ATOM 1717 CA GLY A 109 92.571 -7.581 8.732 1.00 0.00 C ATOM 1718 C GLY A 109 92.109 -6.737 7.560 1.00 0.00 C ATOM 1719 O GLY A 109 91.410 -7.226 6.673 1.00 0.00 O ATOM 0 H GLY A 109 92.783 -9.611 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 109 92.210 -7.137 9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 109 93.660 -7.571 8.776 1.00 0.00 H new ATOM 1723 N ALA A 110 92.500 -5.467 7.557 1.00 0.00 N ATOM 1724 CA ALA A 110 92.121 -4.553 6.486 1.00 0.00 C ATOM 1725 C ALA A 110 93.197 -3.497 6.258 1.00 0.00 C ATOM 1726 O ALA A 110 93.823 -3.018 7.204 1.00 0.00 O ATOM 1727 CB ALA A 110 90.789 -3.891 6.805 1.00 0.00 C ATOM 0 H ALA A 110 93.079 -5.047 8.284 1.00 0.00 H new ATOM 0 HA ALA A 110 92.017 -5.132 5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 110 90.518 -3.211 5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 110 90.019 -4.655 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 110 90.875 -3.332 7.737 1.00 0.00 H new ATOM 1733 N ILE A 111 93.405 -3.138 4.995 1.00 0.00 N ATOM 1734 CA ILE A 111 94.404 -2.138 4.640 1.00 0.00 C ATOM 1735 C ILE A 111 93.756 -0.782 4.384 1.00 0.00 C ATOM 1736 O ILE A 111 92.605 -0.706 3.956 1.00 0.00 O ATOM 1737 CB ILE A 111 95.196 -2.557 3.387 1.00 0.00 C ATOM 1738 CG1 ILE A 111 95.665 -4.008 3.511 1.00 0.00 C ATOM 1739 CG2 ILE A 111 96.382 -1.627 3.175 1.00 0.00 C ATOM 1740 CD1 ILE A 111 96.663 -4.229 4.626 1.00 0.00 C ATOM 0 H ILE A 111 92.895 -3.525 4.201 1.00 0.00 H new ATOM 0 HA ILE A 111 95.087 -2.059 5.485 1.00 0.00 H new ATOM 0 HB ILE A 111 94.540 -2.482 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 111 94.799 -4.648 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 111 96.113 -4.318 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 111 96.932 -1.936 2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 111 96.025 -0.606 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 111 97.040 -1.673 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 111 96.950 -5.280 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 111 97.547 -3.616 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 111 96.212 -3.951 5.578 1.00 0.00 H new ATOM 1752 N SER A 112 94.499 0.286 4.654 1.00 0.00 N ATOM 1753 CA SER A 112 93.994 1.640 4.451 1.00 0.00 C ATOM 1754 C SER A 112 94.529 2.232 3.152 1.00 0.00 C ATOM 1755 O SER A 112 95.733 2.211 2.897 1.00 0.00 O ATOM 1756 CB SER A 112 94.381 2.532 5.633 1.00 0.00 C ATOM 1757 OG SER A 112 93.263 2.793 6.464 1.00 0.00 O ATOM 0 H SER A 112 95.452 0.241 5.014 1.00 0.00 H new ATOM 0 HA SER A 112 92.907 1.590 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 112 95.166 2.049 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 112 94.791 3.472 5.264 1.00 0.00 H new ATOM 0 HG SER A 112 93.438 3.589 7.007 1.00 0.00 H new ATOM 1763 N THR A 113 93.626 2.759 2.330 1.00 0.00 N ATOM 1764 CA THR A 113 94.010 3.356 1.056 1.00 0.00 C ATOM 1765 C THR A 113 94.066 4.877 1.155 1.00 0.00 C ATOM 1766 O THR A 113 93.226 5.499 1.808 1.00 0.00 O ATOM 1767 CB THR A 113 93.036 2.964 -0.071 1.00 0.00 C ATOM 1768 OG1 THR A 113 92.806 1.549 -0.048 1.00 0.00 O ATOM 1769 CG2 THR A 113 93.592 3.369 -1.428 1.00 0.00 C ATOM 0 H THR A 113 92.625 2.785 2.523 1.00 0.00 H new ATOM 0 HA THR A 113 95.001 2.971 0.817 1.00 0.00 H new ATOM 0 HB THR A 113 92.094 3.488 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 113 91.940 1.365 0.373 1.00 0.00 H new ATOM 0 HG21 THR A 113 92.888 3.083 -2.210 1.00 0.00 H new ATOM 0 HG22 THR A 113 93.742 4.448 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 113 94.545 2.866 -1.596 1.00 0.00 H new ATOM 1777 N PHE A 114 95.060 5.470 0.504 1.00 0.00 N ATOM 1778 CA PHE A 114 95.228 6.917 0.516 1.00 0.00 C ATOM 1779 C PHE A 114 95.880 7.399 -0.777 1.00 0.00 C ATOM 1780 O PHE A 114 97.065 7.163 -1.011 1.00 0.00 O ATOM 1781 CB PHE A 114 96.072 7.343 1.721 1.00 0.00 C ATOM 1782 CG PHE A 114 95.396 8.356 2.598 1.00 0.00 C ATOM 1783 CD1 PHE A 114 95.236 9.665 2.173 1.00 0.00 C ATOM 1784 CD2 PHE A 114 94.920 8.001 3.850 1.00 0.00 C ATOM 1785 CE1 PHE A 114 94.615 10.601 2.978 1.00 0.00 C ATOM 1786 CE2 PHE A 114 94.299 8.932 4.661 1.00 0.00 C ATOM 1787 CZ PHE A 114 94.146 10.233 4.224 1.00 0.00 C ATOM 0 H PHE A 114 95.763 4.969 -0.040 1.00 0.00 H new ATOM 0 HA PHE A 114 94.241 7.374 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 114 96.312 6.462 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 114 97.017 7.755 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 114 95.601 9.958 1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 114 95.036 6.985 4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 114 94.497 11.618 2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 114 93.934 8.642 5.635 1.00 0.00 H new ATOM 0 HZ PHE A 114 93.660 10.962 4.856 1.00 0.00 H new ATOM 1797 N ARG A 115 95.099 8.072 -1.615 1.00 0.00 N ATOM 1798 CA ARG A 115 95.600 8.585 -2.885 1.00 0.00 C ATOM 1799 C ARG A 115 95.378 10.090 -2.990 1.00 0.00 C ATOM 1800 O ARG A 115 94.402 10.622 -2.460 1.00 0.00 O ATOM 1801 CB ARG A 115 94.915 7.872 -4.052 1.00 0.00 C ATOM 1802 CG ARG A 115 94.791 6.368 -3.860 1.00 0.00 C ATOM 1803 CD ARG A 115 94.931 5.624 -5.177 1.00 0.00 C ATOM 1804 NE ARG A 115 93.637 5.196 -5.704 1.00 0.00 N ATOM 1805 CZ ARG A 115 93.489 4.240 -6.618 1.00 0.00 C ATOM 1806 NH1 ARG A 115 94.550 3.612 -7.112 1.00 0.00 N ATOM 1807 NH2 ARG A 115 92.276 3.911 -7.042 1.00 0.00 N ATOM 0 H ARG A 115 94.115 8.275 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 115 96.672 8.392 -2.930 1.00 0.00 H new ATOM 0 HB2 ARG A 115 93.920 8.295 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 115 95.476 8.068 -4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 115 95.557 6.025 -3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 115 93.825 6.136 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 115 95.425 6.267 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 115 95.571 4.753 -5.035 1.00 0.00 H new ATOM 0 HE ARG A 115 92.798 5.657 -5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 115 95.486 3.861 -6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 115 94.429 2.880 -7.812 1.00 0.00 H new ATOM 0 HH21 ARG A 115 91.457 4.391 -6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 115 92.162 3.178 -7.742 1.00 0.00 H new ATOM 1821 N ASP A 116 96.288 10.770 -3.680 1.00 0.00 N ATOM 1822 CA ASP A 116 96.191 12.216 -3.855 1.00 0.00 C ATOM 1823 C ASP A 116 96.741 12.637 -5.214 1.00 0.00 C ATOM 1824 O ASP A 116 97.773 12.137 -5.660 1.00 0.00 O ATOM 1825 CB ASP A 116 96.950 12.936 -2.739 1.00 0.00 C ATOM 1826 CG ASP A 116 96.647 14.422 -2.699 1.00 0.00 C ATOM 1827 OD1 ASP A 116 95.605 14.830 -3.255 1.00 0.00 O ATOM 1828 OD2 ASP A 116 97.451 15.177 -2.113 1.00 0.00 O ATOM 0 H ASP A 116 97.100 10.344 -4.127 1.00 0.00 H new ATOM 0 HA ASP A 116 95.138 12.494 -3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 116 96.690 12.489 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 116 98.021 12.790 -2.879 1.00 0.00 H new