USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 541 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 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.54 F(o=-1.2,f=-0.54) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -65:sc= 0.785 USER MOD Single : A 44 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= -0.107 (180deg=-1.32!) USER MOD Single : A 56 THR OG1 : rot 170:sc= -0.963 USER MOD Single : A 58 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.026) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0281) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 67 MET CE :methyl 161:sc= -0.474 (180deg=-1.1) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0685 F(o=-1,f=-0.068) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.181) USER MOD Single : A 88 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.07) USER MOD Single : A 89 TYR OH : rot -69:sc= 0.0344 USER MOD Single : A 90 THR OG1 : rot 29:sc= 0.181 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 11.569 -9.498 6.849 1.00 54.01 N ATOM 433 CA VAL A 31 11.792 -9.579 5.410 1.00 14.43 C ATOM 434 C VAL A 31 10.755 -10.475 4.743 1.00 72.01 C ATOM 435 O VAL A 31 11.091 -11.313 3.907 1.00 22.21 O ATOM 436 CB VAL A 31 13.200 -10.114 5.090 1.00 72.12 C ATOM 437 CG1 VAL A 31 14.262 -9.112 5.516 1.00 60.31 C ATOM 438 CG2 VAL A 31 13.424 -11.460 5.763 1.00 14.31 C ATOM 0 HA VAL A 31 11.699 -8.567 5.017 1.00 14.43 H new ATOM 0 HB VAL A 31 13.280 -10.255 4.012 1.00 72.12 H new ATOM 0 HG11 VAL A 31 15.250 -9.508 5.282 1.00 60.31 H new ATOM 0 HG12 VAL A 31 14.111 -8.173 4.983 1.00 60.31 H new ATOM 0 HG13 VAL A 31 14.187 -8.936 6.589 1.00 60.31 H new ATOM 0 HG21 VAL A 31 14.424 -11.823 5.526 1.00 14.31 H new ATOM 0 HG22 VAL A 31 13.325 -11.348 6.843 1.00 14.31 H new ATOM 0 HG23 VAL A 31 12.684 -12.174 5.403 1.00 14.31 H new ATOM 448 N GLU A 32 9.493 -10.292 5.118 1.00 54.42 N ATOM 449 CA GLU A 32 8.406 -11.085 4.555 1.00 43.11 C ATOM 450 C GLU A 32 7.872 -10.446 3.276 1.00 63.20 C ATOM 451 O GLU A 32 7.112 -11.064 2.531 1.00 34.45 O ATOM 452 CB GLU A 32 7.275 -11.236 5.574 1.00 55.05 C ATOM 453 CG GLU A 32 6.564 -9.931 5.892 1.00 70.21 C ATOM 454 CD GLU A 32 5.555 -10.075 7.015 1.00 61.23 C ATOM 455 OE1 GLU A 32 4.908 -9.066 7.363 1.00 54.52 O ATOM 456 OE2 GLU A 32 5.413 -11.197 7.545 1.00 1.43 O ATOM 0 H GLU A 32 9.198 -9.602 5.809 1.00 54.42 H new ATOM 0 HA GLU A 32 8.799 -12.072 4.310 1.00 43.11 H new ATOM 0 HB2 GLU A 32 6.548 -11.953 5.193 1.00 55.05 H new ATOM 0 HB3 GLU A 32 7.681 -11.653 6.496 1.00 55.05 H new ATOM 0 HG2 GLU A 32 7.302 -9.177 6.166 1.00 70.21 H new ATOM 0 HG3 GLU A 32 6.057 -9.570 4.997 1.00 70.21 H new ATOM 464 N SER A 33 8.276 -9.204 3.028 1.00 23.34 N ATOM 465 CA SER A 33 7.836 -8.479 1.842 1.00 33.24 C ATOM 466 C SER A 33 9.003 -8.231 0.892 1.00 24.04 C ATOM 467 O SER A 33 8.809 -8.015 -0.304 1.00 4.41 O ATOM 468 CB SER A 33 7.196 -7.148 2.241 1.00 11.01 C ATOM 469 OG SER A 33 6.828 -6.396 1.097 1.00 33.45 O ATOM 0 H SER A 33 8.907 -8.679 3.633 1.00 23.34 H new ATOM 0 HA SER A 33 7.095 -9.090 1.327 1.00 33.24 H new ATOM 0 HB2 SER A 33 6.316 -7.334 2.856 1.00 11.01 H new ATOM 0 HB3 SER A 33 7.894 -6.573 2.849 1.00 11.01 H new ATOM 0 HG SER A 33 6.420 -5.551 1.379 1.00 33.45 H new ATOM 475 N ASP A 34 10.216 -8.264 1.434 1.00 12.03 N ATOM 476 CA ASP A 34 11.416 -8.044 0.636 1.00 3.22 C ATOM 477 C ASP A 34 11.479 -9.022 -0.533 1.00 33.24 C ATOM 478 O ASP A 34 12.092 -8.738 -1.562 1.00 43.32 O ATOM 479 CB ASP A 34 12.666 -8.188 1.506 1.00 62.23 C ATOM 480 CG ASP A 34 13.921 -7.714 0.799 1.00 11.23 C ATOM 481 OD1 ASP A 34 14.677 -8.570 0.294 1.00 43.43 O ATOM 482 OD2 ASP A 34 14.146 -6.487 0.751 1.00 0.41 O ATOM 0 H ASP A 34 10.394 -8.441 2.423 1.00 12.03 H new ATOM 0 HA ASP A 34 11.376 -7.031 0.236 1.00 3.22 H new ATOM 0 HB2 ASP A 34 12.533 -7.618 2.425 1.00 62.23 H new ATOM 0 HB3 ASP A 34 12.787 -9.232 1.793 1.00 62.23 H new ATOM 488 N LEU A 35 10.841 -10.176 -0.366 1.00 43.34 N ATOM 489 CA LEU A 35 10.825 -11.198 -1.407 1.00 51.33 C ATOM 490 C LEU A 35 9.702 -10.939 -2.406 1.00 74.44 C ATOM 491 O LEU A 35 9.844 -11.210 -3.599 1.00 35.41 O ATOM 492 CB LEU A 35 10.660 -12.585 -0.785 1.00 21.22 C ATOM 493 CG LEU A 35 11.308 -13.743 -1.545 1.00 32.22 C ATOM 494 CD1 LEU A 35 10.671 -13.904 -2.916 1.00 74.23 C ATOM 495 CD2 LEU A 35 12.808 -13.523 -1.674 1.00 70.42 C ATOM 0 H LEU A 35 10.329 -10.427 0.480 1.00 43.34 H new ATOM 0 HA LEU A 35 11.776 -11.156 -1.938 1.00 51.33 H new ATOM 0 HB2 LEU A 35 11.075 -12.561 0.223 1.00 21.22 H new ATOM 0 HB3 LEU A 35 9.594 -12.793 -0.686 1.00 21.22 H new ATOM 0 HG LEU A 35 11.143 -14.661 -0.981 1.00 32.22 H new ATOM 0 HD11 LEU A 35 11.145 -14.733 -3.442 1.00 74.23 H new ATOM 0 HD12 LEU A 35 9.607 -14.108 -2.801 1.00 74.23 H new ATOM 0 HD13 LEU A 35 10.804 -12.986 -3.489 1.00 74.23 H new ATOM 0 HD21 LEU A 35 13.253 -14.357 -2.217 1.00 70.42 H new ATOM 0 HD22 LEU A 35 12.994 -12.596 -2.216 1.00 70.42 H new ATOM 0 HD23 LEU A 35 13.253 -13.459 -0.681 1.00 70.42 H new ATOM 507 N ASP A 36 8.587 -10.412 -1.912 1.00 60.21 N ATOM 508 CA ASP A 36 7.440 -10.114 -2.762 1.00 1.22 C ATOM 509 C ASP A 36 7.843 -9.204 -3.918 1.00 54.22 C ATOM 510 O ASP A 36 7.213 -9.212 -4.975 1.00 70.14 O ATOM 511 CB ASP A 36 6.328 -9.456 -1.942 1.00 65.44 C ATOM 512 CG ASP A 36 4.971 -9.575 -2.608 1.00 4.42 C ATOM 513 OD1 ASP A 36 4.053 -8.821 -2.221 1.00 61.14 O ATOM 514 OD2 ASP A 36 4.828 -10.420 -3.515 1.00 52.24 O ATOM 0 H ASP A 36 8.453 -10.182 -0.927 1.00 60.21 H new ATOM 0 HA ASP A 36 7.070 -11.053 -3.174 1.00 1.22 H new ATOM 0 HB2 ASP A 36 6.287 -9.917 -0.955 1.00 65.44 H new ATOM 0 HB3 ASP A 36 6.565 -8.403 -1.792 1.00 65.44 H new ATOM 520 N MET A 37 8.895 -8.419 -3.709 1.00 31.55 N ATOM 521 CA MET A 37 9.381 -7.504 -4.734 1.00 2.41 C ATOM 522 C MET A 37 9.685 -8.250 -6.029 1.00 54.55 C ATOM 523 O MET A 37 9.639 -7.670 -7.114 1.00 74.22 O ATOM 524 CB MET A 37 10.635 -6.776 -4.245 1.00 60.00 C ATOM 525 CG MET A 37 10.798 -5.384 -4.832 1.00 55.55 C ATOM 526 SD MET A 37 12.392 -4.642 -4.432 1.00 34.33 S ATOM 527 CE MET A 37 12.450 -3.303 -5.620 1.00 25.14 C ATOM 0 H MET A 37 9.427 -8.399 -2.839 1.00 31.55 H new ATOM 0 HA MET A 37 8.598 -6.772 -4.932 1.00 2.41 H new ATOM 0 HB2 MET A 37 10.601 -6.701 -3.158 1.00 60.00 H new ATOM 0 HB3 MET A 37 11.512 -7.372 -4.496 1.00 60.00 H new ATOM 0 HG2 MET A 37 10.688 -5.436 -5.915 1.00 55.55 H new ATOM 0 HG3 MET A 37 9.999 -4.742 -4.461 1.00 55.55 H new ATOM 0 HE1 MET A 37 13.380 -2.748 -5.498 1.00 25.14 H new ATOM 0 HE2 MET A 37 12.400 -3.710 -6.630 1.00 25.14 H new ATOM 0 HE3 MET A 37 11.605 -2.634 -5.456 1.00 25.14 H new ATOM 537 N GLN A 38 9.994 -9.536 -5.908 1.00 24.24 N ATOM 538 CA GLN A 38 10.306 -10.360 -7.070 1.00 2.31 C ATOM 539 C GLN A 38 9.091 -10.499 -7.980 1.00 54.13 C ATOM 540 O GLN A 38 9.223 -10.557 -9.202 1.00 50.14 O ATOM 541 CB GLN A 38 10.788 -11.743 -6.627 1.00 54.52 C ATOM 542 CG GLN A 38 12.159 -11.728 -5.972 1.00 23.21 C ATOM 543 CD GLN A 38 13.250 -12.244 -6.890 1.00 10.40 C ATOM 544 OE1 GLN A 38 13.330 -11.857 -8.056 1.00 75.45 O ATOM 545 NE2 GLN A 38 14.099 -13.121 -6.367 1.00 75.12 N ATOM 0 H GLN A 38 10.035 -10.031 -5.017 1.00 24.24 H new ATOM 0 HA GLN A 38 11.102 -9.868 -7.630 1.00 2.31 H new ATOM 0 HB2 GLN A 38 10.065 -12.164 -5.928 1.00 54.52 H new ATOM 0 HB3 GLN A 38 10.816 -12.404 -7.493 1.00 54.52 H new ATOM 0 HG2 GLN A 38 12.399 -10.710 -5.664 1.00 23.21 H new ATOM 0 HG3 GLN A 38 12.132 -12.336 -5.068 1.00 23.21 H new ATOM 0 HE21 GLN A 38 13.995 -13.414 -5.396 1.00 75.12 H new ATOM 0 HE22 GLN A 38 14.855 -13.501 -6.937 1.00 75.12 H new ATOM 554 N GLN A 39 7.908 -10.552 -7.376 1.00 70.21 N ATOM 555 CA GLN A 39 6.669 -10.686 -8.133 1.00 41.35 C ATOM 556 C GLN A 39 6.432 -9.460 -9.009 1.00 55.21 C ATOM 557 O GLN A 39 6.004 -9.578 -10.157 1.00 31.41 O ATOM 558 CB GLN A 39 5.486 -10.887 -7.185 1.00 50.20 C ATOM 559 CG GLN A 39 5.777 -11.849 -6.045 1.00 0.03 C ATOM 560 CD GLN A 39 6.580 -13.056 -6.490 1.00 15.43 C ATOM 561 OE1 GLN A 39 6.202 -13.632 -7.625 1.00 42.04 O flip ATOM 562 NE2 GLN A 39 7.528 -13.466 -5.820 1.00 44.21 N flip ATOM 0 H GLN A 39 7.782 -10.504 -6.365 1.00 70.21 H new ATOM 0 HA GLN A 39 6.760 -11.560 -8.779 1.00 41.35 H new ATOM 0 HB2 GLN A 39 5.196 -9.922 -6.770 1.00 50.20 H new ATOM 0 HB3 GLN A 39 4.634 -11.258 -7.754 1.00 50.20 H new ATOM 0 HG2 GLN A 39 6.323 -11.323 -5.261 1.00 0.03 H new ATOM 0 HG3 GLN A 39 4.836 -12.184 -5.608 1.00 0.03 H new ATOM 0 HE21 GLN A 39 7.783 -12.992 -4.954 1.00 44.21 H new ATOM 0 HE22 GLN A 39 8.058 -14.280 -6.131 1.00 44.21 H new ATOM 571 N ALA A 40 6.711 -8.283 -8.459 1.00 45.22 N ATOM 572 CA ALA A 40 6.530 -7.035 -9.191 1.00 33.22 C ATOM 573 C ALA A 40 7.393 -7.005 -10.447 1.00 43.22 C ATOM 574 O ALA A 40 7.093 -6.287 -11.400 1.00 44.35 O ATOM 575 CB ALA A 40 6.853 -5.847 -8.297 1.00 20.21 C ATOM 0 H ALA A 40 7.063 -8.167 -7.509 1.00 45.22 H new ATOM 0 HA ALA A 40 5.486 -6.971 -9.498 1.00 33.22 H new ATOM 0 HB1 ALA A 40 6.714 -4.922 -8.857 1.00 20.21 H new ATOM 0 HB2 ALA A 40 6.190 -5.851 -7.432 1.00 20.21 H new ATOM 0 HB3 ALA A 40 7.888 -5.915 -7.961 1.00 20.21 H new ATOM 581 N MET A 41 8.467 -7.788 -10.441 1.00 31.22 N ATOM 582 CA MET A 41 9.374 -7.851 -11.581 1.00 53.42 C ATOM 583 C MET A 41 8.719 -8.568 -12.757 1.00 64.44 C ATOM 584 O MET A 41 8.964 -8.232 -13.917 1.00 31.11 O ATOM 585 CB MET A 41 10.670 -8.563 -11.191 1.00 30.31 C ATOM 586 CG MET A 41 11.414 -7.890 -10.049 1.00 52.53 C ATOM 587 SD MET A 41 13.203 -8.057 -10.192 1.00 25.03 S ATOM 588 CE MET A 41 13.739 -7.276 -8.671 1.00 73.41 C ATOM 0 H MET A 41 8.730 -8.388 -9.659 1.00 31.22 H new ATOM 0 HA MET A 41 9.607 -6.831 -11.885 1.00 53.42 H new ATOM 0 HB2 MET A 41 10.440 -9.590 -10.908 1.00 30.31 H new ATOM 0 HB3 MET A 41 11.324 -8.611 -12.061 1.00 30.31 H new ATOM 0 HG2 MET A 41 11.153 -6.832 -10.024 1.00 52.53 H new ATOM 0 HG3 MET A 41 11.087 -8.322 -9.103 1.00 52.53 H new ATOM 0 HE1 MET A 41 14.827 -7.301 -8.613 1.00 73.41 H new ATOM 0 HE2 MET A 41 13.398 -6.241 -8.654 1.00 73.41 H new ATOM 0 HE3 MET A 41 13.318 -7.811 -7.819 1.00 73.41 H new ATOM 598 N LEU A 42 7.888 -9.558 -12.452 1.00 73.21 N ATOM 599 CA LEU A 42 7.198 -10.324 -13.485 1.00 20.14 C ATOM 600 C LEU A 42 5.962 -9.581 -13.980 1.00 14.54 C ATOM 601 O LEU A 42 5.248 -10.058 -14.863 1.00 2.23 O ATOM 602 CB LEU A 42 6.799 -11.699 -12.946 1.00 72.12 C ATOM 603 CG LEU A 42 7.801 -12.830 -13.183 1.00 52.52 C ATOM 604 CD1 LEU A 42 9.129 -12.515 -12.513 1.00 0.23 C ATOM 605 CD2 LEU A 42 7.244 -14.151 -12.674 1.00 62.11 C ATOM 0 H LEU A 42 7.675 -9.850 -11.498 1.00 73.21 H new ATOM 0 HA LEU A 42 7.881 -10.453 -14.324 1.00 20.14 H new ATOM 0 HB2 LEU A 42 6.628 -11.611 -11.873 1.00 72.12 H new ATOM 0 HB3 LEU A 42 5.848 -11.982 -13.398 1.00 72.12 H new ATOM 0 HG LEU A 42 7.971 -12.920 -14.256 1.00 52.52 H new ATOM 0 HD11 LEU A 42 9.829 -13.331 -12.692 1.00 0.23 H new ATOM 0 HD12 LEU A 42 9.535 -11.591 -12.926 1.00 0.23 H new ATOM 0 HD13 LEU A 42 8.976 -12.397 -11.440 1.00 0.23 H new ATOM 0 HD21 LEU A 42 7.970 -14.944 -12.851 1.00 62.11 H new ATOM 0 HD22 LEU A 42 7.044 -14.074 -11.605 1.00 62.11 H new ATOM 0 HD23 LEU A 42 6.318 -14.383 -13.201 1.00 62.11 H new ATOM 617 N THR A 43 5.714 -8.407 -13.406 1.00 50.23 N ATOM 618 CA THR A 43 4.565 -7.596 -13.789 1.00 71.35 C ATOM 619 C THR A 43 4.926 -6.116 -13.833 1.00 63.13 C ATOM 620 O THR A 43 4.431 -5.323 -13.035 1.00 14.35 O ATOM 621 CB THR A 43 3.387 -7.797 -12.818 1.00 12.14 C ATOM 622 OG1 THR A 43 2.344 -6.861 -13.112 1.00 50.12 O ATOM 623 CG2 THR A 43 3.839 -7.623 -11.376 1.00 1.23 C ATOM 0 H THR A 43 6.294 -7.997 -12.674 1.00 50.23 H new ATOM 0 HA THR A 43 4.265 -7.923 -14.785 1.00 71.35 H new ATOM 0 HB THR A 43 3.010 -8.812 -12.945 1.00 12.14 H new ATOM 0 HG1 THR A 43 2.663 -5.951 -12.940 1.00 50.12 H new ATOM 0 HG21 THR A 43 2.990 -7.770 -10.708 1.00 1.23 H new ATOM 0 HG22 THR A 43 4.612 -8.356 -11.146 1.00 1.23 H new ATOM 0 HG23 THR A 43 4.239 -6.618 -11.239 1.00 1.23 H new ATOM 631 N ASN A 44 5.793 -5.751 -14.773 1.00 10.25 N ATOM 632 CA ASN A 44 6.221 -4.364 -14.920 1.00 74.43 C ATOM 633 C ASN A 44 5.050 -3.474 -15.326 1.00 71.34 C ATOM 634 O ASN A 44 3.895 -3.899 -15.302 1.00 74.32 O ATOM 635 CB ASN A 44 7.338 -4.262 -15.960 1.00 44.30 C ATOM 636 CG ASN A 44 8.394 -3.244 -15.575 1.00 44.30 C ATOM 637 OD1 ASN A 44 8.623 -2.269 -16.291 1.00 52.41 O ATOM 638 ND2 ASN A 44 9.044 -3.467 -14.439 1.00 5.43 N ATOM 0 H ASN A 44 6.212 -6.395 -15.443 1.00 10.25 H new ATOM 0 HA ASN A 44 6.598 -4.021 -13.956 1.00 74.43 H new ATOM 0 HB2 ASN A 44 7.806 -5.239 -16.083 1.00 44.30 H new ATOM 0 HB3 ASN A 44 6.909 -3.990 -16.924 1.00 44.30 H new ATOM 0 HD21 ASN A 44 9.766 -2.817 -14.128 1.00 5.43 H new ATOM 0 HD22 ASN A 44 8.821 -4.288 -13.877 1.00 5.43 H new ATOM 718 N VAL A 49 -0.012 2.874 -18.681 1.00 71.00 N ATOM 719 CA VAL A 49 -0.295 2.573 -17.283 1.00 0.43 C ATOM 720 C VAL A 49 -0.083 3.800 -16.403 1.00 4.20 C ATOM 721 O VAL A 49 -0.736 3.959 -15.371 1.00 31.41 O ATOM 722 CB VAL A 49 0.591 1.425 -16.765 1.00 61.42 C ATOM 723 CG1 VAL A 49 0.333 1.176 -15.287 1.00 25.31 C ATOM 724 CG2 VAL A 49 0.352 0.161 -17.577 1.00 34.51 C ATOM 0 HA VAL A 49 -1.340 2.267 -17.231 1.00 0.43 H new ATOM 0 HB VAL A 49 1.636 1.713 -16.883 1.00 61.42 H new ATOM 0 HG11 VAL A 49 0.968 0.361 -14.939 1.00 25.31 H new ATOM 0 HG12 VAL A 49 0.559 2.080 -14.721 1.00 25.31 H new ATOM 0 HG13 VAL A 49 -0.713 0.908 -15.140 1.00 25.31 H new ATOM 0 HG21 VAL A 49 0.986 -0.640 -17.198 1.00 34.51 H new ATOM 0 HG22 VAL A 49 -0.694 -0.133 -17.493 1.00 34.51 H new ATOM 0 HG23 VAL A 49 0.593 0.350 -18.623 1.00 34.51 H new ATOM 734 N LEU A 50 0.835 4.667 -16.818 1.00 31.14 N ATOM 735 CA LEU A 50 1.134 5.882 -16.068 1.00 20.14 C ATOM 736 C LEU A 50 -0.041 6.853 -16.114 1.00 0.42 C ATOM 737 O LEU A 50 -0.169 7.732 -15.260 1.00 63.52 O ATOM 738 CB LEU A 50 2.389 6.554 -16.627 1.00 52.33 C ATOM 739 CG LEU A 50 3.617 5.657 -16.785 1.00 42.43 C ATOM 740 CD1 LEU A 50 4.765 6.431 -17.415 1.00 62.32 C ATOM 741 CD2 LEU A 50 4.034 5.082 -15.440 1.00 1.14 C ATOM 0 H LEU A 50 1.385 4.551 -17.669 1.00 31.14 H new ATOM 0 HA LEU A 50 1.311 5.604 -15.029 1.00 20.14 H new ATOM 0 HB2 LEU A 50 2.146 6.978 -17.601 1.00 52.33 H new ATOM 0 HB3 LEU A 50 2.653 7.386 -15.974 1.00 52.33 H new ATOM 0 HG LEU A 50 3.357 4.830 -17.446 1.00 42.43 H new ATOM 0 HD11 LEU A 50 5.631 5.777 -17.520 1.00 62.32 H new ATOM 0 HD12 LEU A 50 4.463 6.794 -18.398 1.00 62.32 H new ATOM 0 HD13 LEU A 50 5.025 7.278 -16.780 1.00 62.32 H new ATOM 0 HD21 LEU A 50 4.909 4.446 -15.572 1.00 1.14 H new ATOM 0 HD22 LEU A 50 4.276 5.895 -14.756 1.00 1.14 H new ATOM 0 HD23 LEU A 50 3.216 4.492 -15.027 1.00 1.14 H new ATOM 753 N LYS A 51 -0.899 6.689 -17.115 1.00 1.01 N ATOM 754 CA LYS A 51 -2.066 7.548 -17.272 1.00 13.43 C ATOM 755 C LYS A 51 -3.096 7.272 -16.181 1.00 72.51 C ATOM 756 O LYS A 51 -3.740 8.190 -15.675 1.00 72.10 O ATOM 757 CB LYS A 51 -2.698 7.339 -18.650 1.00 32.23 C ATOM 758 CG LYS A 51 -1.753 7.628 -19.803 1.00 3.13 C ATOM 759 CD LYS A 51 -1.908 9.053 -20.307 1.00 5.34 C ATOM 760 CE LYS A 51 -0.844 9.970 -19.721 1.00 54.01 C ATOM 761 NZ LYS A 51 -1.428 10.968 -18.782 1.00 72.41 N ATOM 0 H LYS A 51 -0.808 5.968 -17.831 1.00 1.01 H new ATOM 0 HA LYS A 51 -1.738 8.584 -17.183 1.00 13.43 H new ATOM 0 HB2 LYS A 51 -3.048 6.310 -18.727 1.00 32.23 H new ATOM 0 HB3 LYS A 51 -3.574 7.981 -18.740 1.00 32.23 H new ATOM 0 HG2 LYS A 51 -0.724 7.465 -19.481 1.00 3.13 H new ATOM 0 HG3 LYS A 51 -1.947 6.930 -20.617 1.00 3.13 H new ATOM 0 HD2 LYS A 51 -1.841 9.065 -21.395 1.00 5.34 H new ATOM 0 HD3 LYS A 51 -2.897 9.427 -20.044 1.00 5.34 H new ATOM 0 HE2 LYS A 51 -0.098 9.372 -19.198 1.00 54.01 H new ATOM 0 HE3 LYS A 51 -0.328 10.490 -20.528 1.00 54.01 H new ATOM 0 HZ1 LYS A 51 -0.766 11.135 -17.997 1.00 72.41 H new ATOM 0 HZ2 LYS A 51 -1.599 11.861 -19.287 1.00 72.41 H new ATOM 0 HZ3 LYS A 51 -2.327 10.606 -18.405 1.00 72.41 H new ATOM 775 N ALA A 52 -3.245 6.000 -15.823 1.00 40.31 N ATOM 776 CA ALA A 52 -4.194 5.604 -14.790 1.00 62.31 C ATOM 777 C ALA A 52 -3.836 6.229 -13.446 1.00 44.23 C ATOM 778 O ALA A 52 -4.705 6.732 -12.732 1.00 64.44 O ATOM 779 CB ALA A 52 -4.243 4.088 -14.672 1.00 63.55 C ATOM 0 H ALA A 52 -2.721 5.227 -16.233 1.00 40.31 H new ATOM 0 HA ALA A 52 -5.180 5.968 -15.079 1.00 62.31 H new ATOM 0 HB1 ALA A 52 -4.956 3.806 -13.897 1.00 63.55 H new ATOM 0 HB2 ALA A 52 -4.554 3.659 -15.624 1.00 63.55 H new ATOM 0 HB3 ALA A 52 -3.254 3.711 -14.410 1.00 63.55 H new ATOM 785 N LEU A 53 -2.552 6.195 -13.107 1.00 21.14 N ATOM 786 CA LEU A 53 -2.078 6.758 -11.847 1.00 54.30 C ATOM 787 C LEU A 53 -2.432 8.239 -11.745 1.00 74.54 C ATOM 788 O LEU A 53 -2.498 8.797 -10.651 1.00 25.33 O ATOM 789 CB LEU A 53 -0.565 6.574 -11.720 1.00 52.20 C ATOM 790 CG LEU A 53 -0.034 5.169 -12.004 1.00 21.33 C ATOM 791 CD1 LEU A 53 1.486 5.154 -11.963 1.00 43.51 C ATOM 792 CD2 LEU A 53 -0.605 4.171 -11.006 1.00 52.35 C ATOM 0 H LEU A 53 -1.820 5.784 -13.687 1.00 21.14 H new ATOM 0 HA LEU A 53 -2.572 6.228 -11.032 1.00 54.30 H new ATOM 0 HB2 LEU A 53 -0.076 7.270 -12.401 1.00 52.20 H new ATOM 0 HB3 LEU A 53 -0.268 6.856 -10.710 1.00 52.20 H new ATOM 0 HG LEU A 53 -0.353 4.877 -13.004 1.00 21.33 H new ATOM 0 HD11 LEU A 53 1.846 4.146 -12.167 1.00 43.51 H new ATOM 0 HD12 LEU A 53 1.877 5.838 -12.716 1.00 43.51 H new ATOM 0 HD13 LEU A 53 1.826 5.467 -10.976 1.00 43.51 H new ATOM 0 HD21 LEU A 53 -0.216 3.176 -11.223 1.00 52.35 H new ATOM 0 HD22 LEU A 53 -0.316 4.461 -9.996 1.00 52.35 H new ATOM 0 HD23 LEU A 53 -1.692 4.161 -11.083 1.00 52.35 H new ATOM 804 N GLU A 54 -2.662 8.867 -12.894 1.00 41.11 N ATOM 805 CA GLU A 54 -3.011 10.282 -12.933 1.00 41.41 C ATOM 806 C GLU A 54 -4.314 10.543 -12.182 1.00 65.51 C ATOM 807 O GLU A 54 -4.408 11.478 -11.387 1.00 50.15 O ATOM 808 CB GLU A 54 -3.141 10.759 -14.381 1.00 65.34 C ATOM 809 CG GLU A 54 -1.937 10.419 -15.244 1.00 62.31 C ATOM 810 CD GLU A 54 -0.659 11.062 -14.742 1.00 23.44 C ATOM 811 OE1 GLU A 54 0.014 10.451 -13.884 1.00 43.45 O ATOM 812 OE2 GLU A 54 -0.332 12.174 -15.205 1.00 4.14 O ATOM 0 H GLU A 54 -2.613 8.419 -13.809 1.00 41.11 H new ATOM 0 HA GLU A 54 -2.212 10.839 -12.444 1.00 41.41 H new ATOM 0 HB2 GLU A 54 -4.032 10.313 -14.823 1.00 65.34 H new ATOM 0 HB3 GLU A 54 -3.289 11.839 -14.387 1.00 65.34 H new ATOM 0 HG2 GLU A 54 -1.808 9.337 -15.271 1.00 62.31 H new ATOM 0 HG3 GLU A 54 -2.125 10.744 -16.267 1.00 62.31 H new ATOM 820 N ARG A 55 -5.315 9.708 -12.440 1.00 53.34 N ATOM 821 CA ARG A 55 -6.613 9.848 -11.791 1.00 10.40 C ATOM 822 C ARG A 55 -6.560 9.338 -10.354 1.00 3.01 C ATOM 823 O ARG A 55 -7.251 9.853 -9.474 1.00 61.31 O ATOM 824 CB ARG A 55 -7.684 9.087 -12.574 1.00 51.24 C ATOM 825 CG ARG A 55 -8.992 8.924 -11.817 1.00 40.44 C ATOM 826 CD ARG A 55 -9.569 10.270 -11.407 1.00 12.03 C ATOM 827 NE ARG A 55 -10.934 10.452 -11.894 1.00 43.14 N ATOM 828 CZ ARG A 55 -11.640 11.561 -11.704 1.00 33.30 C ATOM 829 NH1 ARG A 55 -11.114 12.581 -11.040 1.00 61.42 N ATOM 830 NH2 ARG A 55 -12.876 11.651 -12.178 1.00 72.25 N ATOM 0 H ARG A 55 -5.252 8.928 -13.094 1.00 53.34 H new ATOM 0 HA ARG A 55 -6.870 10.907 -11.774 1.00 10.40 H new ATOM 0 HB2 ARG A 55 -7.879 9.611 -13.510 1.00 51.24 H new ATOM 0 HB3 ARG A 55 -7.300 8.101 -12.835 1.00 51.24 H new ATOM 0 HG2 ARG A 55 -9.711 8.393 -12.441 1.00 40.44 H new ATOM 0 HG3 ARG A 55 -8.827 8.312 -10.930 1.00 40.44 H new ATOM 0 HD2 ARG A 55 -9.558 10.353 -10.320 1.00 12.03 H new ATOM 0 HD3 ARG A 55 -8.936 11.069 -11.794 1.00 12.03 H new ATOM 0 HE ARG A 55 -11.369 9.686 -12.408 1.00 43.14 H new ATOM 0 HH11 ARG A 55 -10.164 12.516 -10.673 1.00 61.42 H new ATOM 0 HH12 ARG A 55 -11.659 13.431 -10.896 1.00 61.42 H new ATOM 0 HH21 ARG A 55 -13.285 10.868 -12.689 1.00 72.25 H new ATOM 0 HH22 ARG A 55 -13.418 12.503 -12.032 1.00 72.25 H new ATOM 844 N THR A 56 -5.734 8.322 -10.122 1.00 75.34 N ATOM 845 CA THR A 56 -5.592 7.740 -8.794 1.00 1.34 C ATOM 846 C THR A 56 -4.893 8.706 -7.843 1.00 61.32 C ATOM 847 O THR A 56 -5.310 8.874 -6.697 1.00 41.32 O ATOM 848 CB THR A 56 -4.800 6.420 -8.840 1.00 70.01 C ATOM 849 OG1 THR A 56 -3.401 6.692 -8.973 1.00 45.42 O ATOM 850 CG2 THR A 56 -5.265 5.551 -9.999 1.00 20.44 C ATOM 0 H THR A 56 -5.153 7.885 -10.838 1.00 75.34 H new ATOM 0 HA THR A 56 -6.599 7.538 -8.428 1.00 1.34 H new ATOM 0 HB THR A 56 -4.978 5.883 -7.909 1.00 70.01 H new ATOM 0 HG1 THR A 56 -2.893 5.865 -8.840 1.00 45.42 H new ATOM 0 HG21 THR A 56 -4.692 4.624 -10.012 1.00 20.44 H new ATOM 0 HG22 THR A 56 -6.324 5.321 -9.880 1.00 20.44 H new ATOM 0 HG23 THR A 56 -5.113 6.084 -10.937 1.00 20.44 H new ATOM 858 N ARG A 57 -3.828 9.338 -8.327 1.00 34.35 N ATOM 859 CA ARG A 57 -3.071 10.286 -7.519 1.00 12.41 C ATOM 860 C ARG A 57 -3.977 11.395 -6.990 1.00 70.22 C ATOM 861 O ARG A 57 -3.740 11.942 -5.914 1.00 21.23 O ATOM 862 CB ARG A 57 -1.932 10.893 -8.340 1.00 61.43 C ATOM 863 CG ARG A 57 -2.310 12.185 -9.046 1.00 30.25 C ATOM 864 CD ARG A 57 -1.316 12.532 -10.143 1.00 32.10 C ATOM 865 NE ARG A 57 0.016 12.004 -9.862 1.00 2.33 N ATOM 866 CZ ARG A 57 0.887 12.599 -9.054 1.00 13.32 C ATOM 867 NH1 ARG A 57 0.567 13.736 -8.450 1.00 74.42 N ATOM 868 NH2 ARG A 57 2.080 12.057 -8.848 1.00 3.32 N ATOM 0 H ARG A 57 -3.471 9.210 -9.274 1.00 34.35 H new ATOM 0 HA ARG A 57 -2.651 9.747 -6.670 1.00 12.41 H new ATOM 0 HB2 ARG A 57 -1.083 11.083 -7.683 1.00 61.43 H new ATOM 0 HB3 ARG A 57 -1.604 10.166 -9.083 1.00 61.43 H new ATOM 0 HG2 ARG A 57 -3.307 12.088 -9.475 1.00 30.25 H new ATOM 0 HG3 ARG A 57 -2.352 12.998 -8.321 1.00 30.25 H new ATOM 0 HD2 ARG A 57 -1.671 12.133 -11.093 1.00 32.10 H new ATOM 0 HD3 ARG A 57 -1.261 13.615 -10.253 1.00 32.10 H new ATOM 0 HE ARG A 57 0.293 11.131 -10.310 1.00 2.33 H new ATOM 0 HH11 ARG A 57 -0.350 14.156 -8.605 1.00 74.42 H new ATOM 0 HH12 ARG A 57 1.238 14.191 -7.830 1.00 74.42 H new ATOM 0 HH21 ARG A 57 2.330 11.183 -9.310 1.00 3.32 H new ATOM 0 HH22 ARG A 57 2.748 12.515 -8.228 1.00 3.32 H new ATOM 882 N GLN A 58 -5.014 11.720 -7.755 1.00 41.04 N ATOM 883 CA GLN A 58 -5.954 12.764 -7.364 1.00 61.21 C ATOM 884 C GLN A 58 -6.590 12.445 -6.015 1.00 54.32 C ATOM 885 O GLN A 58 -6.745 13.325 -5.167 1.00 34.22 O ATOM 886 CB GLN A 58 -7.040 12.926 -8.428 1.00 55.15 C ATOM 887 CG GLN A 58 -6.524 13.481 -9.746 1.00 5.42 C ATOM 888 CD GLN A 58 -6.282 14.977 -9.694 1.00 4.00 C ATOM 889 OE1 GLN A 58 -7.110 15.768 -10.146 1.00 72.43 O ATOM 890 NE2 GLN A 58 -5.142 15.374 -9.140 1.00 63.24 N ATOM 0 H GLN A 58 -5.225 11.276 -8.649 1.00 41.04 H new ATOM 0 HA GLN A 58 -5.403 13.700 -7.273 1.00 61.21 H new ATOM 0 HB2 GLN A 58 -7.507 11.958 -8.609 1.00 55.15 H new ATOM 0 HB3 GLN A 58 -7.817 13.587 -8.044 1.00 55.15 H new ATOM 0 HG2 GLN A 58 -5.595 12.975 -10.010 1.00 5.42 H new ATOM 0 HG3 GLN A 58 -7.243 13.260 -10.535 1.00 5.42 H new ATOM 0 HE21 GLN A 58 -4.484 14.684 -8.778 1.00 63.24 H new ATOM 0 HE22 GLN A 58 -4.925 16.369 -9.077 1.00 63.24 H new ATOM 899 N LEU A 59 -6.958 11.183 -5.823 1.00 42.24 N ATOM 900 CA LEU A 59 -7.578 10.748 -4.577 1.00 13.01 C ATOM 901 C LEU A 59 -6.524 10.284 -3.577 1.00 32.11 C ATOM 902 O LEU A 59 -6.848 9.684 -2.552 1.00 13.34 O ATOM 903 CB LEU A 59 -8.574 9.618 -4.847 1.00 42.51 C ATOM 904 CG LEU A 59 -9.527 9.831 -6.024 1.00 11.04 C ATOM 905 CD1 LEU A 59 -9.433 8.671 -7.003 1.00 11.40 C ATOM 906 CD2 LEU A 59 -10.956 9.999 -5.528 1.00 72.15 C ATOM 0 H LEU A 59 -6.838 10.443 -6.515 1.00 42.24 H new ATOM 0 HA LEU A 59 -8.109 11.598 -4.149 1.00 13.01 H new ATOM 0 HB2 LEU A 59 -8.013 8.700 -5.021 1.00 42.51 H new ATOM 0 HB3 LEU A 59 -9.169 9.462 -3.947 1.00 42.51 H new ATOM 0 HG LEU A 59 -9.234 10.743 -6.544 1.00 11.04 H new ATOM 0 HD11 LEU A 59 -10.118 8.840 -7.834 1.00 11.40 H new ATOM 0 HD12 LEU A 59 -8.414 8.597 -7.382 1.00 11.40 H new ATOM 0 HD13 LEU A 59 -9.700 7.744 -6.495 1.00 11.40 H new ATOM 0 HD21 LEU A 59 -11.621 10.150 -6.378 1.00 72.15 H new ATOM 0 HD22 LEU A 59 -11.260 9.105 -4.984 1.00 72.15 H new ATOM 0 HD23 LEU A 59 -11.012 10.863 -4.866 1.00 72.15 H new ATOM 918 N ASP A 60 -5.262 10.567 -3.881 1.00 75.22 N ATOM 919 CA ASP A 60 -4.160 10.181 -3.008 1.00 13.45 C ATOM 920 C ASP A 60 -4.058 8.663 -2.899 1.00 14.22 C ATOM 921 O ASP A 60 -4.227 8.096 -1.819 1.00 74.11 O ATOM 922 CB ASP A 60 -4.345 10.793 -1.618 1.00 41.40 C ATOM 923 CG ASP A 60 -3.066 10.779 -0.805 1.00 5.53 C ATOM 924 OD1 ASP A 60 -3.145 10.567 0.424 1.00 72.14 O ATOM 925 OD2 ASP A 60 -1.985 10.980 -1.396 1.00 44.35 O ATOM 0 H ASP A 60 -4.977 11.063 -4.726 1.00 75.22 H new ATOM 0 HA ASP A 60 -3.235 10.558 -3.443 1.00 13.45 H new ATOM 0 HB2 ASP A 60 -4.696 11.820 -1.720 1.00 41.40 H new ATOM 0 HB3 ASP A 60 -5.119 10.243 -1.082 1.00 41.40 H new ATOM 931 N ILE A 61 -3.782 8.012 -4.024 1.00 32.14 N ATOM 932 CA ILE A 61 -3.658 6.560 -4.054 1.00 70.11 C ATOM 933 C ILE A 61 -2.250 6.137 -4.461 1.00 15.04 C ATOM 934 O ILE A 61 -1.690 6.620 -5.445 1.00 33.21 O ATOM 935 CB ILE A 61 -4.672 5.928 -5.026 1.00 14.52 C ATOM 936 CG1 ILE A 61 -6.073 6.488 -4.770 1.00 52.20 C ATOM 937 CG2 ILE A 61 -4.668 4.414 -4.886 1.00 24.42 C ATOM 938 CD1 ILE A 61 -7.086 6.086 -5.819 1.00 64.25 C ATOM 0 H ILE A 61 -3.640 8.467 -4.926 1.00 32.14 H new ATOM 0 HA ILE A 61 -3.865 6.205 -3.044 1.00 70.11 H new ATOM 0 HB ILE A 61 -4.381 6.179 -6.046 1.00 14.52 H new ATOM 0 HG12 ILE A 61 -6.419 6.148 -3.794 1.00 52.20 H new ATOM 0 HG13 ILE A 61 -6.018 7.576 -4.727 1.00 52.20 H new ATOM 0 HG21 ILE A 61 -5.390 3.983 -5.580 1.00 24.42 H new ATOM 0 HG22 ILE A 61 -3.673 4.030 -5.112 1.00 24.42 H new ATOM 0 HG23 ILE A 61 -4.938 4.142 -3.866 1.00 24.42 H new ATOM 0 HD11 ILE A 61 -8.056 6.519 -5.573 1.00 64.25 H new ATOM 0 HD12 ILE A 61 -6.763 6.450 -6.795 1.00 64.25 H new ATOM 0 HD13 ILE A 61 -7.170 5.000 -5.846 1.00 64.25 H new ATOM 950 N PRO A 62 -1.664 5.212 -3.687 1.00 20.24 N ATOM 951 CA PRO A 62 -0.315 4.701 -3.948 1.00 20.04 C ATOM 952 C PRO A 62 -0.256 3.833 -5.200 1.00 31.54 C ATOM 953 O PRO A 62 -1.158 3.035 -5.456 1.00 71.13 O ATOM 954 CB PRO A 62 -0.005 3.866 -2.703 1.00 3.13 C ATOM 955 CG PRO A 62 -1.338 3.459 -2.178 1.00 32.22 C ATOM 956 CD PRO A 62 -2.273 4.593 -2.497 1.00 61.54 C ATOM 0 HA PRO A 62 0.398 5.506 -4.127 1.00 20.04 H new ATOM 0 HB2 PRO A 62 0.605 2.997 -2.951 1.00 3.13 H new ATOM 0 HB3 PRO A 62 0.551 4.446 -1.966 1.00 3.13 H new ATOM 0 HG2 PRO A 62 -1.675 2.533 -2.644 1.00 32.22 H new ATOM 0 HG3 PRO A 62 -1.296 3.278 -1.104 1.00 32.22 H new ATOM 0 HD2 PRO A 62 -3.282 4.236 -2.702 1.00 61.54 H new ATOM 0 HD3 PRO A 62 -2.346 5.299 -1.670 1.00 61.54 H new ATOM 964 N ASP A 63 0.811 3.992 -5.975 1.00 54.31 N ATOM 965 CA ASP A 63 0.988 3.221 -7.200 1.00 53.21 C ATOM 966 C ASP A 63 1.220 1.747 -6.885 1.00 72.34 C ATOM 967 O ASP A 63 1.200 0.901 -7.779 1.00 42.43 O ATOM 968 CB ASP A 63 2.162 3.773 -8.010 1.00 55.44 C ATOM 969 CG ASP A 63 2.092 5.279 -8.178 1.00 72.54 C ATOM 970 OD1 ASP A 63 3.048 5.967 -7.764 1.00 41.10 O ATOM 971 OD2 ASP A 63 1.082 5.768 -8.725 1.00 74.11 O ATOM 0 H ASP A 63 1.567 4.648 -5.777 1.00 54.31 H new ATOM 0 HA ASP A 63 0.076 3.309 -7.791 1.00 53.21 H new ATOM 0 HB2 ASP A 63 3.097 3.508 -7.516 1.00 55.44 H new ATOM 0 HB3 ASP A 63 2.176 3.301 -8.992 1.00 55.44 H new ATOM 977 N GLU A 64 1.440 1.447 -5.609 1.00 63.22 N ATOM 978 CA GLU A 64 1.678 0.074 -5.178 1.00 1.32 C ATOM 979 C GLU A 64 0.382 -0.731 -5.187 1.00 21.20 C ATOM 980 O GLU A 64 0.372 -1.909 -5.545 1.00 71.11 O ATOM 981 CB GLU A 64 2.293 0.056 -3.777 1.00 21.21 C ATOM 982 CG GLU A 64 3.482 0.989 -3.622 1.00 11.34 C ATOM 983 CD GLU A 64 4.221 0.780 -2.314 1.00 51.21 C ATOM 984 OE1 GLU A 64 5.345 0.237 -2.349 1.00 41.21 O ATOM 985 OE2 GLU A 64 3.676 1.159 -1.257 1.00 13.04 O ATOM 0 H GLU A 64 1.458 2.135 -4.856 1.00 63.22 H new ATOM 0 HA GLU A 64 2.375 -0.385 -5.879 1.00 1.32 H new ATOM 0 HB2 GLU A 64 1.529 0.331 -3.050 1.00 21.21 H new ATOM 0 HB3 GLU A 64 2.606 -0.961 -3.540 1.00 21.21 H new ATOM 0 HG2 GLU A 64 4.171 0.835 -4.453 1.00 11.34 H new ATOM 0 HG3 GLU A 64 3.139 2.022 -3.680 1.00 11.34 H new ATOM 993 N LYS A 65 -0.710 -0.088 -4.790 1.00 14.42 N ATOM 994 CA LYS A 65 -2.013 -0.741 -4.752 1.00 71.40 C ATOM 995 C LYS A 65 -2.763 -0.536 -6.064 1.00 70.33 C ATOM 996 O LYS A 65 -3.579 -1.369 -6.463 1.00 4.35 O ATOM 997 CB LYS A 65 -2.845 -0.200 -3.587 1.00 22.00 C ATOM 998 CG LYS A 65 -3.481 1.150 -3.870 1.00 35.43 C ATOM 999 CD LYS A 65 -4.138 1.728 -2.627 1.00 63.12 C ATOM 1000 CE LYS A 65 -5.241 0.820 -2.106 1.00 12.20 C ATOM 1001 NZ LYS A 65 -4.804 0.044 -0.913 1.00 3.02 N ATOM 0 H LYS A 65 -0.719 0.887 -4.489 1.00 14.42 H new ATOM 0 HA LYS A 65 -1.851 -1.809 -4.609 1.00 71.40 H new ATOM 0 HB2 LYS A 65 -3.629 -0.918 -3.347 1.00 22.00 H new ATOM 0 HB3 LYS A 65 -2.209 -0.115 -2.706 1.00 22.00 H new ATOM 0 HG2 LYS A 65 -2.722 1.841 -4.236 1.00 35.43 H new ATOM 0 HG3 LYS A 65 -4.224 1.045 -4.660 1.00 35.43 H new ATOM 0 HD2 LYS A 65 -3.387 1.872 -1.851 1.00 63.12 H new ATOM 0 HD3 LYS A 65 -4.552 2.710 -2.856 1.00 63.12 H new ATOM 0 HE2 LYS A 65 -6.114 1.420 -1.849 1.00 12.20 H new ATOM 0 HE3 LYS A 65 -5.548 0.132 -2.894 1.00 12.20 H new ATOM 0 HZ1 LYS A 65 -5.608 -0.498 -0.538 1.00 3.02 H new ATOM 0 HZ2 LYS A 65 -4.042 -0.610 -1.184 1.00 3.02 H new ATOM 0 HZ3 LYS A 65 -4.456 0.697 -0.182 1.00 3.02 H new ATOM 1015 N THR A 66 -2.481 0.577 -6.734 1.00 71.12 N ATOM 1016 CA THR A 66 -3.129 0.891 -8.002 1.00 25.04 C ATOM 1017 C THR A 66 -2.582 0.022 -9.128 1.00 73.43 C ATOM 1018 O THR A 66 -3.292 -0.290 -10.084 1.00 40.02 O ATOM 1019 CB THR A 66 -2.942 2.373 -8.376 1.00 3.53 C ATOM 1020 OG1 THR A 66 -3.526 3.210 -7.371 1.00 24.34 O ATOM 1021 CG2 THR A 66 -3.576 2.675 -9.725 1.00 12.20 C ATOM 0 H THR A 66 -1.808 1.276 -6.420 1.00 71.12 H new ATOM 0 HA THR A 66 -4.192 0.688 -7.873 1.00 25.04 H new ATOM 0 HB THR A 66 -1.873 2.576 -8.441 1.00 3.53 H new ATOM 0 HG1 THR A 66 -3.401 4.151 -7.616 1.00 24.34 H new ATOM 0 HG21 THR A 66 -3.431 3.728 -9.968 1.00 12.20 H new ATOM 0 HG22 THR A 66 -3.109 2.058 -10.493 1.00 12.20 H new ATOM 0 HG23 THR A 66 -4.643 2.456 -9.683 1.00 12.20 H new ATOM 1029 N MET A 67 -1.317 -0.368 -9.009 1.00 11.50 N ATOM 1030 CA MET A 67 -0.677 -1.203 -10.018 1.00 23.51 C ATOM 1031 C MET A 67 -1.544 -2.413 -10.352 1.00 60.00 C ATOM 1032 O MET A 67 -1.954 -2.616 -11.495 1.00 64.41 O ATOM 1033 CB MET A 67 0.698 -1.666 -9.530 1.00 53.23 C ATOM 1034 CG MET A 67 1.856 -0.982 -10.239 1.00 14.10 C ATOM 1035 SD MET A 67 2.450 -1.918 -11.661 1.00 2.03 S ATOM 1036 CE MET A 67 1.321 -1.356 -12.932 1.00 42.24 C ATOM 0 H MET A 67 -0.715 -0.119 -8.224 1.00 11.50 H new ATOM 0 HA MET A 67 -0.553 -0.606 -10.922 1.00 23.51 H new ATOM 0 HB2 MET A 67 0.777 -1.479 -8.459 1.00 53.23 H new ATOM 0 HB3 MET A 67 0.781 -2.744 -9.672 1.00 53.23 H new ATOM 0 HG2 MET A 67 1.542 0.009 -10.567 1.00 14.10 H new ATOM 0 HG3 MET A 67 2.675 -0.840 -9.534 1.00 14.10 H new ATOM 0 HE1 MET A 67 1.745 -1.565 -13.914 1.00 42.24 H new ATOM 0 HE2 MET A 67 0.369 -1.877 -12.830 1.00 42.24 H new ATOM 0 HE3 MET A 67 1.160 -0.283 -12.827 1.00 42.24 H new ATOM 1046 N PRO A 68 -1.831 -3.236 -9.333 1.00 32.23 N ATOM 1047 CA PRO A 68 -2.653 -4.439 -9.494 1.00 63.53 C ATOM 1048 C PRO A 68 -4.116 -4.110 -9.769 1.00 0.22 C ATOM 1049 O PRO A 68 -4.894 -4.977 -10.166 1.00 33.10 O ATOM 1050 CB PRO A 68 -2.509 -5.151 -8.147 1.00 5.03 C ATOM 1051 CG PRO A 68 -2.185 -4.066 -7.178 1.00 62.23 C ATOM 1052 CD PRO A 68 -1.376 -3.055 -7.944 1.00 35.42 C ATOM 0 HA PRO A 68 -2.333 -5.040 -10.345 1.00 63.53 H new ATOM 0 HB2 PRO A 68 -3.429 -5.666 -7.871 1.00 5.03 H new ATOM 0 HB3 PRO A 68 -1.720 -5.902 -8.179 1.00 5.03 H new ATOM 0 HG2 PRO A 68 -3.094 -3.616 -6.777 1.00 62.23 H new ATOM 0 HG3 PRO A 68 -1.621 -4.455 -6.330 1.00 62.23 H new ATOM 0 HD2 PRO A 68 -1.560 -2.041 -7.590 1.00 35.42 H new ATOM 0 HD3 PRO A 68 -0.306 -3.238 -7.845 1.00 35.42 H new ATOM 1060 N VAL A 69 -4.484 -2.851 -9.555 1.00 14.40 N ATOM 1061 CA VAL A 69 -5.854 -2.406 -9.781 1.00 74.00 C ATOM 1062 C VAL A 69 -6.101 -2.114 -11.257 1.00 2.52 C ATOM 1063 O VAL A 69 -6.996 -2.691 -11.875 1.00 34.15 O ATOM 1064 CB VAL A 69 -6.178 -1.145 -8.958 1.00 33.10 C ATOM 1065 CG1 VAL A 69 -7.482 -0.519 -9.431 1.00 5.15 C ATOM 1066 CG2 VAL A 69 -6.245 -1.480 -7.475 1.00 43.55 C ATOM 0 H VAL A 69 -3.852 -2.121 -9.225 1.00 14.40 H new ATOM 0 HA VAL A 69 -6.507 -3.218 -9.460 1.00 74.00 H new ATOM 0 HB VAL A 69 -5.379 -0.419 -9.108 1.00 33.10 H new ATOM 0 HG11 VAL A 69 -7.695 0.371 -8.838 1.00 5.15 H new ATOM 0 HG12 VAL A 69 -7.393 -0.242 -10.481 1.00 5.15 H new ATOM 0 HG13 VAL A 69 -8.294 -1.236 -9.313 1.00 5.15 H new ATOM 0 HG21 VAL A 69 -6.475 -0.578 -6.908 1.00 43.55 H new ATOM 0 HG22 VAL A 69 -7.024 -2.224 -7.305 1.00 43.55 H new ATOM 0 HG23 VAL A 69 -5.285 -1.879 -7.148 1.00 43.55 H new ATOM 1076 N LEU A 70 -5.301 -1.213 -11.817 1.00 64.53 N ATOM 1077 CA LEU A 70 -5.431 -0.844 -13.222 1.00 42.45 C ATOM 1078 C LEU A 70 -5.285 -2.066 -14.123 1.00 73.10 C ATOM 1079 O LEU A 70 -6.049 -2.245 -15.071 1.00 50.13 O ATOM 1080 CB LEU A 70 -4.381 0.205 -13.594 1.00 1.25 C ATOM 1081 CG LEU A 70 -2.923 -0.249 -13.518 1.00 3.34 C ATOM 1082 CD1 LEU A 70 -2.445 -0.739 -14.876 1.00 3.25 C ATOM 1083 CD2 LEU A 70 -2.038 0.882 -13.015 1.00 5.51 C ATOM 0 H LEU A 70 -4.556 -0.725 -11.320 1.00 64.53 H new ATOM 0 HA LEU A 70 -6.426 -0.423 -13.370 1.00 42.45 H new ATOM 0 HB2 LEU A 70 -4.582 0.547 -14.609 1.00 1.25 H new ATOM 0 HB3 LEU A 70 -4.507 1.066 -12.937 1.00 1.25 H new ATOM 0 HG LEU A 70 -2.856 -1.077 -12.812 1.00 3.34 H new ATOM 0 HD11 LEU A 70 -1.405 -1.058 -14.802 1.00 3.25 H new ATOM 0 HD12 LEU A 70 -3.061 -1.579 -15.197 1.00 3.25 H new ATOM 0 HD13 LEU A 70 -2.526 0.069 -15.603 1.00 3.25 H new ATOM 0 HD21 LEU A 70 -1.004 0.541 -12.967 1.00 5.51 H new ATOM 0 HD22 LEU A 70 -2.109 1.730 -13.696 1.00 5.51 H new ATOM 0 HD23 LEU A 70 -2.366 1.186 -12.021 1.00 5.51 H new ATOM 1095 N MET A 71 -4.301 -2.906 -13.818 1.00 51.51 N ATOM 1096 CA MET A 71 -4.058 -4.113 -14.598 1.00 71.43 C ATOM 1097 C MET A 71 -5.279 -5.028 -14.579 1.00 40.32 C ATOM 1098 O MET A 71 -5.463 -5.854 -15.473 1.00 40.24 O ATOM 1099 CB MET A 71 -2.838 -4.860 -14.055 1.00 75.32 C ATOM 1100 CG MET A 71 -3.131 -5.673 -12.804 1.00 41.22 C ATOM 1101 SD MET A 71 -1.786 -6.794 -12.374 1.00 2.11 S ATOM 1102 CE MET A 71 -2.655 -8.359 -12.316 1.00 41.02 C ATOM 0 H MET A 71 -3.659 -2.773 -13.036 1.00 51.51 H new ATOM 0 HA MET A 71 -3.864 -3.816 -15.629 1.00 71.43 H new ATOM 0 HB2 MET A 71 -2.455 -5.525 -14.829 1.00 75.32 H new ATOM 0 HB3 MET A 71 -2.050 -4.140 -13.834 1.00 75.32 H new ATOM 0 HG2 MET A 71 -3.315 -4.996 -11.970 1.00 41.22 H new ATOM 0 HG3 MET A 71 -4.044 -6.248 -12.955 1.00 41.22 H new ATOM 0 HE1 MET A 71 -1.955 -9.155 -12.061 1.00 41.02 H new ATOM 0 HE2 MET A 71 -3.440 -8.311 -11.562 1.00 41.02 H new ATOM 0 HE3 MET A 71 -3.099 -8.565 -13.290 1.00 41.02 H new ATOM 1112 N LYS A 72 -6.111 -4.875 -13.555 1.00 20.05 N ATOM 1113 CA LYS A 72 -7.315 -5.686 -13.419 1.00 12.22 C ATOM 1114 C LYS A 72 -8.378 -5.254 -14.424 1.00 60.12 C ATOM 1115 O LYS A 72 -9.186 -6.066 -14.876 1.00 34.43 O ATOM 1116 CB LYS A 72 -7.870 -5.578 -11.996 1.00 42.15 C ATOM 1117 CG LYS A 72 -8.897 -6.645 -11.662 1.00 30.44 C ATOM 1118 CD LYS A 72 -8.248 -8.008 -11.483 1.00 3.40 C ATOM 1119 CE LYS A 72 -7.567 -8.127 -10.128 1.00 62.12 C ATOM 1120 NZ LYS A 72 -8.534 -8.469 -9.049 1.00 75.22 N ATOM 0 H LYS A 72 -5.974 -4.196 -12.806 1.00 20.05 H new ATOM 0 HA LYS A 72 -7.049 -6.723 -13.621 1.00 12.22 H new ATOM 0 HB2 LYS A 72 -7.045 -5.645 -11.287 1.00 42.15 H new ATOM 0 HB3 LYS A 72 -8.323 -4.595 -11.865 1.00 42.15 H new ATOM 0 HG2 LYS A 72 -9.425 -6.370 -10.749 1.00 30.44 H new ATOM 0 HG3 LYS A 72 -9.641 -6.697 -12.457 1.00 30.44 H new ATOM 0 HD2 LYS A 72 -9.003 -8.788 -11.582 1.00 3.40 H new ATOM 0 HD3 LYS A 72 -7.517 -8.171 -12.275 1.00 3.40 H new ATOM 0 HE2 LYS A 72 -6.792 -8.892 -10.177 1.00 62.12 H new ATOM 0 HE3 LYS A 72 -7.072 -7.187 -9.887 1.00 62.12 H new ATOM 0 HZ1 LYS A 72 -8.031 -8.541 -8.142 1.00 75.22 H new ATOM 0 HZ2 LYS A 72 -9.259 -7.726 -8.985 1.00 75.22 H new ATOM 0 HZ3 LYS A 72 -8.989 -9.379 -9.266 1.00 75.22 H new ATOM 1134 N LEU A 73 -8.371 -3.972 -14.772 1.00 24.10 N ATOM 1135 CA LEU A 73 -9.333 -3.433 -15.726 1.00 54.40 C ATOM 1136 C LEU A 73 -8.971 -3.835 -17.152 1.00 2.30 C ATOM 1137 O LEU A 73 -9.804 -4.361 -17.891 1.00 41.11 O ATOM 1138 CB LEU A 73 -9.393 -1.908 -15.613 1.00 74.24 C ATOM 1139 CG LEU A 73 -9.242 -1.333 -14.205 1.00 14.22 C ATOM 1140 CD1 LEU A 73 -9.319 0.186 -14.237 1.00 60.34 C ATOM 1141 CD2 LEU A 73 -10.307 -1.903 -13.279 1.00 12.41 C ATOM 0 H LEU A 73 -7.709 -3.286 -14.408 1.00 24.10 H new ATOM 0 HA LEU A 73 -10.313 -3.848 -15.490 1.00 54.40 H new ATOM 0 HB2 LEU A 73 -8.609 -1.486 -16.242 1.00 74.24 H new ATOM 0 HB3 LEU A 73 -10.346 -1.571 -16.021 1.00 74.24 H new ATOM 0 HG LEU A 73 -8.263 -1.619 -13.820 1.00 14.22 H new ATOM 0 HD11 LEU A 73 -9.210 0.577 -13.226 1.00 60.34 H new ATOM 0 HD12 LEU A 73 -8.520 0.578 -14.866 1.00 60.34 H new ATOM 0 HD13 LEU A 73 -10.283 0.493 -14.642 1.00 60.34 H new ATOM 0 HD21 LEU A 73 -10.184 -1.483 -12.281 1.00 12.41 H new ATOM 0 HD22 LEU A 73 -11.296 -1.648 -13.661 1.00 12.41 H new ATOM 0 HD23 LEU A 73 -10.205 -2.987 -13.231 1.00 12.41 H new ATOM 1153 N LEU A 74 -7.722 -3.586 -17.532 1.00 15.41 N ATOM 1154 CA LEU A 74 -7.248 -3.924 -18.869 1.00 41.23 C ATOM 1155 C LEU A 74 -7.371 -5.422 -19.128 1.00 55.24 C ATOM 1156 O LEU A 74 -7.458 -5.857 -20.276 1.00 32.31 O ATOM 1157 CB LEU A 74 -5.793 -3.483 -19.042 1.00 73.03 C ATOM 1158 CG LEU A 74 -5.566 -1.985 -19.247 1.00 3.25 C ATOM 1159 CD1 LEU A 74 -6.379 -1.477 -20.427 1.00 33.40 C ATOM 1160 CD2 LEU A 74 -5.919 -1.215 -17.983 1.00 1.54 C ATOM 0 H LEU A 74 -7.020 -3.151 -16.933 1.00 15.41 H new ATOM 0 HA LEU A 74 -7.870 -3.397 -19.592 1.00 41.23 H new ATOM 0 HB2 LEU A 74 -5.232 -3.798 -18.162 1.00 73.03 H new ATOM 0 HB3 LEU A 74 -5.372 -4.014 -19.896 1.00 73.03 H new ATOM 0 HG LEU A 74 -4.510 -1.824 -19.465 1.00 3.25 H new ATOM 0 HD11 LEU A 74 -6.204 -0.409 -20.557 1.00 33.40 H new ATOM 0 HD12 LEU A 74 -6.078 -2.006 -21.331 1.00 33.40 H new ATOM 0 HD13 LEU A 74 -7.439 -1.651 -20.241 1.00 33.40 H new ATOM 0 HD21 LEU A 74 -5.751 -0.150 -18.147 1.00 1.54 H new ATOM 0 HD22 LEU A 74 -6.967 -1.384 -17.735 1.00 1.54 H new ATOM 0 HD23 LEU A 74 -5.292 -1.559 -17.160 1.00 1.54 H new ATOM 1172 N GLU A 75 -7.381 -6.204 -18.054 1.00 22.33 N ATOM 1173 CA GLU A 75 -7.495 -7.654 -18.166 1.00 15.31 C ATOM 1174 C GLU A 75 -8.771 -8.043 -18.908 1.00 43.33 C ATOM 1175 O GLU A 75 -8.728 -8.784 -19.890 1.00 4.24 O ATOM 1176 CB GLU A 75 -7.484 -8.297 -16.778 1.00 22.41 C ATOM 1177 CG GLU A 75 -6.189 -9.025 -16.455 1.00 54.31 C ATOM 1178 CD GLU A 75 -6.049 -10.330 -17.214 1.00 21.13 C ATOM 1179 OE1 GLU A 75 -6.728 -11.309 -16.839 1.00 72.13 O ATOM 1180 OE2 GLU A 75 -5.260 -10.373 -18.181 1.00 32.23 O ATOM 0 H GLU A 75 -7.312 -5.859 -17.097 1.00 22.33 H new ATOM 0 HA GLU A 75 -6.639 -8.018 -18.734 1.00 15.31 H new ATOM 0 HB2 GLU A 75 -7.654 -7.525 -16.028 1.00 22.41 H new ATOM 0 HB3 GLU A 75 -8.314 -9.000 -16.706 1.00 22.41 H new ATOM 0 HG2 GLU A 75 -5.344 -8.378 -16.692 1.00 54.31 H new ATOM 0 HG3 GLU A 75 -6.146 -9.225 -15.384 1.00 54.31 H new ATOM 1188 N GLU A 76 -9.904 -7.537 -18.431 1.00 61.22 N ATOM 1189 CA GLU A 76 -11.191 -7.833 -19.049 1.00 33.12 C ATOM 1190 C GLU A 76 -11.384 -7.016 -20.323 1.00 63.44 C ATOM 1191 O GLU A 76 -12.063 -7.449 -21.254 1.00 23.30 O ATOM 1192 CB GLU A 76 -12.330 -7.545 -18.069 1.00 34.14 C ATOM 1193 CG GLU A 76 -12.091 -8.104 -16.676 1.00 72.12 C ATOM 1194 CD GLU A 76 -13.304 -7.968 -15.777 1.00 12.05 C ATOM 1195 OE1 GLU A 76 -13.372 -6.977 -15.019 1.00 22.42 O ATOM 1196 OE2 GLU A 76 -14.185 -8.851 -15.830 1.00 32.23 O ATOM 0 H GLU A 76 -9.957 -6.921 -17.620 1.00 61.22 H new ATOM 0 HA GLU A 76 -11.204 -8.891 -19.311 1.00 33.12 H new ATOM 0 HB2 GLU A 76 -12.474 -6.467 -17.999 1.00 34.14 H new ATOM 0 HB3 GLU A 76 -13.254 -7.965 -18.466 1.00 34.14 H new ATOM 0 HG2 GLU A 76 -11.817 -9.156 -16.753 1.00 72.12 H new ATOM 0 HG3 GLU A 76 -11.246 -7.587 -16.221 1.00 72.12 H new ATOM 1204 N ALA A 77 -10.781 -5.832 -20.357 1.00 73.30 N ATOM 1205 CA ALA A 77 -10.885 -4.955 -21.517 1.00 24.33 C ATOM 1206 C ALA A 77 -9.853 -5.324 -22.577 1.00 41.14 C ATOM 1207 O ALA A 77 -9.726 -4.646 -23.596 1.00 4.52 O ATOM 1208 CB ALA A 77 -10.716 -3.503 -21.096 1.00 55.45 C ATOM 0 H ALA A 77 -10.216 -5.458 -19.595 1.00 73.30 H new ATOM 0 HA ALA A 77 -11.876 -5.083 -21.952 1.00 24.33 H new ATOM 0 HB1 ALA A 77 -10.796 -2.859 -21.972 1.00 55.45 H new ATOM 0 HB2 ALA A 77 -11.494 -3.239 -20.379 1.00 55.45 H new ATOM 0 HB3 ALA A 77 -9.737 -3.369 -20.635 1.00 55.45 H new ATOM 1214 N GLY A 78 -9.117 -6.404 -22.331 1.00 11.31 N ATOM 1215 CA GLY A 78 -8.105 -6.843 -23.274 1.00 12.10 C ATOM 1216 C GLY A 78 -7.107 -5.751 -23.603 1.00 64.12 C ATOM 1217 O GLY A 78 -6.472 -5.778 -24.657 1.00 11.42 O ATOM 0 H GLY A 78 -9.204 -6.983 -21.495 1.00 11.31 H new ATOM 0 HA2 GLY A 78 -7.576 -7.702 -22.861 1.00 12.10 H new ATOM 0 HA3 GLY A 78 -8.589 -7.178 -24.192 1.00 12.10 H new ATOM 1221 N GLY A 79 -6.968 -4.786 -22.699 1.00 43.33 N ATOM 1222 CA GLY A 79 -6.039 -3.692 -22.919 1.00 31.34 C ATOM 1223 C GLY A 79 -6.680 -2.523 -23.639 1.00 52.11 C ATOM 1224 O GLY A 79 -6.061 -1.903 -24.503 1.00 14.12 O ATOM 0 H GLY A 79 -7.482 -4.742 -21.819 1.00 43.33 H new ATOM 0 HA2 GLY A 79 -5.648 -3.353 -21.960 1.00 31.34 H new ATOM 0 HA3 GLY A 79 -5.190 -4.052 -23.501 1.00 31.34 H new ATOM 1228 N ASN A 80 -7.925 -2.222 -23.284 1.00 52.25 N ATOM 1229 CA ASN A 80 -8.652 -1.120 -23.905 1.00 64.14 C ATOM 1230 C ASN A 80 -8.962 -0.030 -22.885 1.00 14.43 C ATOM 1231 O ASN A 80 -9.864 -0.177 -22.059 1.00 42.23 O ATOM 1232 CB ASN A 80 -9.949 -1.629 -24.536 1.00 54.32 C ATOM 1233 CG ASN A 80 -10.298 -0.892 -25.815 1.00 12.11 C ATOM 1234 OD1 ASN A 80 -10.789 0.334 -25.676 1.00 41.14 O flip ATOM 1235 ND2 ASN A 80 -10.128 -1.419 -26.914 1.00 13.10 N flip ATOM 0 H ASN A 80 -8.451 -2.725 -22.570 1.00 52.25 H new ATOM 0 HA ASN A 80 -8.020 -0.694 -24.684 1.00 64.14 H new ATOM 0 HB2 ASN A 80 -9.853 -2.694 -24.748 1.00 54.32 H new ATOM 0 HB3 ASN A 80 -10.765 -1.518 -23.822 1.00 54.32 H new ATOM 0 HD21 ASN A 80 -9.748 -2.364 -26.973 1.00 13.10 H new ATOM 0 HD22 ASN A 80 -10.367 -0.911 -27.766 1.00 13.10 H new ATOM 1242 N TRP A 81 -8.211 1.063 -22.948 1.00 2.41 N ATOM 1243 CA TRP A 81 -8.406 2.179 -22.029 1.00 55.44 C ATOM 1244 C TRP A 81 -9.565 3.061 -22.483 1.00 20.13 C ATOM 1245 O TRP A 81 -10.139 3.805 -21.688 1.00 1.04 O ATOM 1246 CB TRP A 81 -7.127 3.011 -21.925 1.00 51.11 C ATOM 1247 CG TRP A 81 -5.947 2.227 -21.437 1.00 21.21 C ATOM 1248 CD1 TRP A 81 -5.163 1.383 -22.171 1.00 51.10 C ATOM 1249 CD2 TRP A 81 -5.419 2.212 -20.106 1.00 44.43 C ATOM 1250 NE1 TRP A 81 -4.179 0.845 -21.377 1.00 34.02 N ATOM 1251 CE2 TRP A 81 -4.314 1.338 -20.106 1.00 42.51 C ATOM 1252 CE3 TRP A 81 -5.770 2.854 -18.916 1.00 2.14 C ATOM 1253 CZ2 TRP A 81 -3.561 1.091 -18.961 1.00 40.03 C ATOM 1254 CZ3 TRP A 81 -5.022 2.607 -17.780 1.00 42.22 C ATOM 1255 CH2 TRP A 81 -3.927 1.733 -17.810 1.00 33.45 C ATOM 0 H TRP A 81 -7.461 1.201 -23.626 1.00 2.41 H new ATOM 0 HA TRP A 81 -8.646 1.771 -21.047 1.00 55.44 H new ATOM 0 HB2 TRP A 81 -6.895 3.432 -22.903 1.00 51.11 H new ATOM 0 HB3 TRP A 81 -7.301 3.849 -21.251 1.00 51.11 H new ATOM 0 HD1 TRP A 81 -5.297 1.170 -23.221 1.00 51.10 H new ATOM 0 HE1 TRP A 81 -3.464 0.186 -21.684 1.00 34.02 H new ATOM 0 HE3 TRP A 81 -6.611 3.531 -18.884 1.00 2.14 H new ATOM 0 HZ2 TRP A 81 -2.718 0.416 -18.981 1.00 40.03 H new ATOM 0 HZ3 TRP A 81 -5.286 3.096 -16.854 1.00 42.22 H new ATOM 0 HH2 TRP A 81 -3.361 1.563 -16.906 1.00 33.45 H new ATOM 1266 N SER A 82 -9.904 2.972 -23.765 1.00 12.02 N ATOM 1267 CA SER A 82 -10.993 3.765 -24.324 1.00 63.22 C ATOM 1268 C SER A 82 -12.265 3.600 -23.499 1.00 31.43 C ATOM 1269 O SER A 82 -12.875 4.581 -23.074 1.00 41.41 O ATOM 1270 CB SER A 82 -11.256 3.357 -25.775 1.00 20.40 C ATOM 1271 OG SER A 82 -11.768 4.444 -26.526 1.00 24.01 O ATOM 0 H SER A 82 -9.441 2.359 -24.436 1.00 12.02 H new ATOM 0 HA SER A 82 -10.697 4.814 -24.296 1.00 63.22 H new ATOM 0 HB2 SER A 82 -10.331 3.001 -26.229 1.00 20.40 H new ATOM 0 HB3 SER A 82 -11.963 2.528 -25.800 1.00 20.40 H new ATOM 0 HG SER A 82 -11.926 4.158 -27.450 1.00 24.01 H new ATOM 1277 N TYR A 83 -12.660 2.351 -23.275 1.00 44.13 N ATOM 1278 CA TYR A 83 -13.861 2.056 -22.503 1.00 25.40 C ATOM 1279 C TYR A 83 -13.602 2.223 -21.009 1.00 12.33 C ATOM 1280 O TYR A 83 -14.430 2.775 -20.283 1.00 22.13 O ATOM 1281 CB TYR A 83 -14.341 0.633 -22.792 1.00 60.52 C ATOM 1282 CG TYR A 83 -15.238 0.065 -21.715 1.00 2.50 C ATOM 1283 CD1 TYR A 83 -16.616 0.234 -21.771 1.00 41.50 C ATOM 1284 CD2 TYR A 83 -14.707 -0.638 -20.641 1.00 33.21 C ATOM 1285 CE1 TYR A 83 -17.439 -0.281 -20.789 1.00 33.12 C ATOM 1286 CE2 TYR A 83 -15.523 -1.159 -19.655 1.00 51.40 C ATOM 1287 CZ TYR A 83 -16.888 -0.977 -19.733 1.00 72.22 C ATOM 1288 OH TYR A 83 -17.704 -1.493 -18.752 1.00 51.24 O ATOM 0 H TYR A 83 -12.166 1.527 -23.617 1.00 44.13 H new ATOM 0 HA TYR A 83 -14.636 2.762 -22.801 1.00 25.40 H new ATOM 0 HB2 TYR A 83 -14.877 0.625 -23.741 1.00 60.52 H new ATOM 0 HB3 TYR A 83 -13.474 -0.017 -22.911 1.00 60.52 H new ATOM 0 HD1 TYR A 83 -17.051 0.777 -22.597 1.00 41.50 H new ATOM 0 HD2 TYR A 83 -13.638 -0.780 -20.576 1.00 33.21 H new ATOM 0 HE1 TYR A 83 -18.508 -0.140 -20.847 1.00 33.12 H new ATOM 0 HE2 TYR A 83 -15.094 -1.706 -18.828 1.00 51.40 H new ATOM 0 HH TYR A 83 -17.158 -1.955 -18.082 1.00 51.24 H new ATOM 1298 N ILE A 84 -12.448 1.744 -20.557 1.00 52.01 N ATOM 1299 CA ILE A 84 -12.079 1.842 -19.150 1.00 71.15 C ATOM 1300 C ILE A 84 -12.053 3.295 -18.689 1.00 1.12 C ATOM 1301 O ILE A 84 -12.223 3.585 -17.505 1.00 11.35 O ATOM 1302 CB ILE A 84 -10.702 1.206 -18.884 1.00 71.42 C ATOM 1303 CG1 ILE A 84 -10.746 -0.296 -19.173 1.00 23.43 C ATOM 1304 CG2 ILE A 84 -10.269 1.462 -17.449 1.00 3.34 C ATOM 1305 CD1 ILE A 84 -9.395 -0.970 -19.073 1.00 71.31 C ATOM 0 H ILE A 84 -11.752 1.284 -21.145 1.00 52.01 H new ATOM 0 HA ILE A 84 -12.837 1.298 -18.586 1.00 71.15 H new ATOM 0 HB ILE A 84 -9.971 1.664 -19.550 1.00 71.42 H new ATOM 0 HG12 ILE A 84 -11.433 -0.772 -18.474 1.00 23.43 H new ATOM 0 HG13 ILE A 84 -11.149 -0.454 -20.174 1.00 23.43 H new ATOM 0 HG21 ILE A 84 -9.294 1.006 -17.276 1.00 3.34 H new ATOM 0 HG22 ILE A 84 -10.204 2.536 -17.275 1.00 3.34 H new ATOM 0 HG23 ILE A 84 -10.999 1.027 -16.766 1.00 3.34 H new ATOM 0 HD11 ILE A 84 -9.502 -2.033 -19.290 1.00 71.31 H new ATOM 0 HD12 ILE A 84 -8.710 -0.520 -19.791 1.00 71.31 H new ATOM 0 HD13 ILE A 84 -8.999 -0.844 -18.065 1.00 71.31 H new ATOM 1317 N LYS A 85 -11.840 4.206 -19.632 1.00 52.04 N ATOM 1318 CA LYS A 85 -11.795 5.631 -19.325 1.00 23.41 C ATOM 1319 C LYS A 85 -13.129 6.298 -19.641 1.00 51.44 C ATOM 1320 O LYS A 85 -13.249 7.523 -19.594 1.00 4.43 O ATOM 1321 CB LYS A 85 -10.673 6.308 -20.115 1.00 40.32 C ATOM 1322 CG LYS A 85 -11.123 6.863 -21.456 1.00 24.31 C ATOM 1323 CD LYS A 85 -10.002 6.821 -22.481 1.00 4.02 C ATOM 1324 CE LYS A 85 -8.725 7.444 -21.936 1.00 71.53 C ATOM 1325 NZ LYS A 85 -8.961 8.812 -21.399 1.00 1.21 N ATOM 0 H LYS A 85 -11.696 3.983 -20.617 1.00 52.04 H new ATOM 0 HA LYS A 85 -11.598 5.742 -18.259 1.00 23.41 H new ATOM 0 HB2 LYS A 85 -10.257 7.119 -19.517 1.00 40.32 H new ATOM 0 HB3 LYS A 85 -9.871 5.589 -20.280 1.00 40.32 H new ATOM 0 HG2 LYS A 85 -11.974 6.288 -21.822 1.00 24.31 H new ATOM 0 HG3 LYS A 85 -11.464 7.891 -21.330 1.00 24.31 H new ATOM 0 HD2 LYS A 85 -9.810 5.788 -22.769 1.00 4.02 H new ATOM 0 HD3 LYS A 85 -10.311 7.351 -23.382 1.00 4.02 H new ATOM 0 HE2 LYS A 85 -8.319 6.810 -21.148 1.00 71.53 H new ATOM 0 HE3 LYS A 85 -7.976 7.488 -22.727 1.00 71.53 H new ATOM 0 HZ1 LYS A 85 -8.122 9.402 -21.572 1.00 1.21 H new ATOM 0 HZ2 LYS A 85 -9.785 9.234 -21.873 1.00 1.21 H new ATOM 0 HZ3 LYS A 85 -9.141 8.757 -20.376 1.00 1.21 H new ATOM 1339 N LEU A 86 -14.130 5.486 -19.963 1.00 51.51 N ATOM 1340 CA LEU A 86 -15.457 5.999 -20.286 1.00 33.11 C ATOM 1341 C LEU A 86 -16.072 6.712 -19.086 1.00 35.31 C ATOM 1342 O LEU A 86 -17.036 7.465 -19.226 1.00 2.42 O ATOM 1343 CB LEU A 86 -16.370 4.858 -20.739 1.00 22.24 C ATOM 1344 CG LEU A 86 -17.683 5.272 -21.404 1.00 20.04 C ATOM 1345 CD1 LEU A 86 -17.627 5.015 -22.901 1.00 72.54 C ATOM 1346 CD2 LEU A 86 -18.855 4.531 -20.777 1.00 12.45 C ATOM 0 H LEU A 86 -14.048 4.470 -20.007 1.00 51.51 H new ATOM 0 HA LEU A 86 -15.354 6.718 -21.099 1.00 33.11 H new ATOM 0 HB2 LEU A 86 -15.815 4.230 -21.436 1.00 22.24 H new ATOM 0 HB3 LEU A 86 -16.604 4.241 -19.872 1.00 22.24 H new ATOM 0 HG LEU A 86 -17.828 6.341 -21.245 1.00 20.04 H new ATOM 0 HD11 LEU A 86 -18.570 5.316 -23.357 1.00 72.54 H new ATOM 0 HD12 LEU A 86 -16.812 5.591 -23.339 1.00 72.54 H new ATOM 0 HD13 LEU A 86 -17.459 3.953 -23.082 1.00 72.54 H new ATOM 0 HD21 LEU A 86 -19.781 4.838 -21.263 1.00 12.45 H new ATOM 0 HD22 LEU A 86 -18.717 3.457 -20.905 1.00 12.45 H new ATOM 0 HD23 LEU A 86 -18.907 4.766 -19.714 1.00 12.45 H new ATOM 1358 N ASP A 87 -15.508 6.470 -17.908 1.00 34.23 N ATOM 1359 CA ASP A 87 -15.999 7.091 -16.683 1.00 52.21 C ATOM 1360 C ASP A 87 -14.843 7.628 -15.845 1.00 50.11 C ATOM 1361 O ASP A 87 -14.944 7.730 -14.623 1.00 53.44 O ATOM 1362 CB ASP A 87 -16.813 6.086 -15.867 1.00 13.12 C ATOM 1363 CG ASP A 87 -17.916 5.438 -16.680 1.00 73.12 C ATOM 1364 OD1 ASP A 87 -19.102 5.710 -16.396 1.00 22.12 O ATOM 1365 OD2 ASP A 87 -17.594 4.659 -17.602 1.00 12.34 O ATOM 0 H ASP A 87 -14.710 5.848 -17.775 1.00 34.23 H new ATOM 0 HA ASP A 87 -16.642 7.926 -16.961 1.00 52.21 H new ATOM 0 HB2 ASP A 87 -16.149 5.313 -15.481 1.00 13.12 H new ATOM 0 HB3 ASP A 87 -17.250 6.591 -15.005 1.00 13.12 H new ATOM 1371 N ASN A 88 -13.744 7.969 -16.511 1.00 74.31 N ATOM 1372 CA ASN A 88 -12.568 8.494 -15.827 1.00 70.43 C ATOM 1373 C ASN A 88 -11.944 7.433 -14.926 1.00 33.33 C ATOM 1374 O ASN A 88 -11.519 7.725 -13.808 1.00 11.13 O ATOM 1375 CB ASN A 88 -12.940 9.726 -15.001 1.00 54.41 C ATOM 1376 CG ASN A 88 -11.885 10.813 -15.076 1.00 52.02 C ATOM 1377 OD1 ASN A 88 -12.192 11.974 -15.347 1.00 13.24 O ATOM 1378 ND2 ASN A 88 -10.634 10.440 -14.837 1.00 25.42 N ATOM 0 H ASN A 88 -13.644 7.891 -17.523 1.00 74.31 H new ATOM 0 HA ASN A 88 -11.836 8.779 -16.583 1.00 70.43 H new ATOM 0 HB2 ASN A 88 -13.892 10.123 -15.354 1.00 54.41 H new ATOM 0 HB3 ASN A 88 -13.083 9.433 -13.961 1.00 54.41 H new ATOM 0 HD21 ASN A 88 -9.881 11.127 -14.874 1.00 25.42 H new ATOM 0 HD22 ASN A 88 -10.425 9.466 -14.616 1.00 25.42 H new ATOM 1385 N TYR A 89 -11.893 6.201 -15.420 1.00 24.34 N ATOM 1386 CA TYR A 89 -11.323 5.095 -14.658 1.00 44.44 C ATOM 1387 C TYR A 89 -12.095 4.872 -13.362 1.00 24.34 C ATOM 1388 O TYR A 89 -11.507 4.612 -12.311 1.00 4.40 O ATOM 1389 CB TYR A 89 -9.850 5.368 -14.348 1.00 0.43 C ATOM 1390 CG TYR A 89 -9.006 5.611 -15.579 1.00 32.52 C ATOM 1391 CD1 TYR A 89 -9.324 5.012 -16.792 1.00 10.42 C ATOM 1392 CD2 TYR A 89 -7.891 6.439 -15.529 1.00 34.51 C ATOM 1393 CE1 TYR A 89 -8.555 5.230 -17.919 1.00 14.23 C ATOM 1394 CE2 TYR A 89 -7.118 6.663 -16.651 1.00 42.32 C ATOM 1395 CZ TYR A 89 -7.454 6.057 -17.844 1.00 25.55 C ATOM 1396 OH TYR A 89 -6.686 6.277 -18.964 1.00 51.22 O ATOM 0 H TYR A 89 -12.239 5.943 -16.344 1.00 24.34 H new ATOM 0 HA TYR A 89 -11.398 4.192 -15.264 1.00 44.44 H new ATOM 0 HB2 TYR A 89 -9.780 6.236 -13.693 1.00 0.43 H new ATOM 0 HB3 TYR A 89 -9.440 4.521 -13.798 1.00 0.43 H new ATOM 0 HD1 TYR A 89 -10.187 4.365 -16.855 1.00 10.42 H new ATOM 0 HD2 TYR A 89 -7.625 6.915 -14.597 1.00 34.51 H new ATOM 0 HE1 TYR A 89 -8.815 4.755 -18.854 1.00 14.23 H new ATOM 0 HE2 TYR A 89 -6.255 7.309 -16.595 1.00 42.32 H new ATOM 0 HH TYR A 89 -6.203 5.456 -19.196 1.00 51.22 H new ATOM 1406 N THR A 90 -13.418 4.973 -13.443 1.00 43.21 N ATOM 1407 CA THR A 90 -14.272 4.783 -12.278 1.00 30.12 C ATOM 1408 C THR A 90 -13.950 3.473 -11.568 1.00 71.20 C ATOM 1409 O THR A 90 -14.104 3.360 -10.352 1.00 53.44 O ATOM 1410 CB THR A 90 -15.762 4.790 -12.667 1.00 15.02 C ATOM 1411 OG1 THR A 90 -16.160 6.109 -13.058 1.00 73.32 O ATOM 1412 CG2 THR A 90 -16.627 4.317 -11.507 1.00 45.44 C ATOM 0 H THR A 90 -13.921 5.186 -14.304 1.00 43.21 H new ATOM 0 HA THR A 90 -14.076 5.616 -11.603 1.00 30.12 H new ATOM 0 HB THR A 90 -15.899 4.106 -13.504 1.00 15.02 H new ATOM 0 HG1 THR A 90 -15.390 6.586 -13.432 1.00 73.32 H new ATOM 0 HG21 THR A 90 -17.675 4.331 -11.806 1.00 45.44 H new ATOM 0 HG22 THR A 90 -16.342 3.302 -11.230 1.00 45.44 H new ATOM 0 HG23 THR A 90 -16.484 4.979 -10.653 1.00 45.44 H new ATOM 1420 N ALA A 91 -13.501 2.484 -12.335 1.00 13.51 N ATOM 1421 CA ALA A 91 -13.155 1.183 -11.778 1.00 61.33 C ATOM 1422 C ALA A 91 -12.144 1.322 -10.645 1.00 32.41 C ATOM 1423 O ALA A 91 -12.197 0.586 -9.658 1.00 71.35 O ATOM 1424 CB ALA A 91 -12.608 0.272 -12.867 1.00 63.32 C ATOM 0 H ALA A 91 -13.369 2.560 -13.344 1.00 13.51 H new ATOM 0 HA ALA A 91 -14.062 0.738 -11.368 1.00 61.33 H new ATOM 0 HB1 ALA A 91 -12.353 -0.697 -12.437 1.00 63.32 H new ATOM 0 HB2 ALA A 91 -13.362 0.138 -13.642 1.00 63.32 H new ATOM 0 HB3 ALA A 91 -11.716 0.721 -13.303 1.00 63.32 H new ATOM 1430 N LEU A 92 -11.224 2.268 -10.792 1.00 11.41 N ATOM 1431 CA LEU A 92 -10.200 2.503 -9.780 1.00 42.51 C ATOM 1432 C LEU A 92 -10.818 3.041 -8.494 1.00 34.14 C ATOM 1433 O LEU A 92 -10.355 2.735 -7.395 1.00 11.44 O ATOM 1434 CB LEU A 92 -9.152 3.487 -10.305 1.00 73.33 C ATOM 1435 CG LEU A 92 -9.503 4.970 -10.182 1.00 42.02 C ATOM 1436 CD1 LEU A 92 -9.035 5.520 -8.843 1.00 73.44 C ATOM 1437 CD2 LEU A 92 -8.889 5.760 -11.329 1.00 1.12 C ATOM 0 H LEU A 92 -11.166 2.885 -11.602 1.00 11.41 H new ATOM 0 HA LEU A 92 -9.718 1.551 -9.559 1.00 42.51 H new ATOM 0 HB2 LEU A 92 -8.218 3.310 -9.773 1.00 73.33 H new ATOM 0 HB3 LEU A 92 -8.967 3.264 -11.356 1.00 73.33 H new ATOM 0 HG LEU A 92 -10.587 5.073 -10.235 1.00 42.02 H new ATOM 0 HD11 LEU A 92 -9.293 6.577 -8.773 1.00 73.44 H new ATOM 0 HD12 LEU A 92 -9.521 4.973 -8.035 1.00 73.44 H new ATOM 0 HD13 LEU A 92 -7.954 5.405 -8.760 1.00 73.44 H new ATOM 0 HD21 LEU A 92 -9.149 6.813 -11.225 1.00 1.12 H new ATOM 0 HD22 LEU A 92 -7.805 5.650 -11.307 1.00 1.12 H new ATOM 0 HD23 LEU A 92 -9.273 5.383 -12.277 1.00 1.12 H new ATOM 1449 N VAL A 93 -11.869 3.842 -8.638 1.00 34.21 N ATOM 1450 CA VAL A 93 -12.554 4.419 -7.488 1.00 13.34 C ATOM 1451 C VAL A 93 -13.177 3.334 -6.617 1.00 74.11 C ATOM 1452 O VAL A 93 -12.986 3.313 -5.401 1.00 63.32 O ATOM 1453 CB VAL A 93 -13.654 5.405 -7.926 1.00 22.04 C ATOM 1454 CG1 VAL A 93 -14.576 5.729 -6.760 1.00 61.01 C ATOM 1455 CG2 VAL A 93 -13.036 6.673 -8.496 1.00 21.23 C ATOM 0 H VAL A 93 -12.265 4.106 -9.540 1.00 34.21 H new ATOM 0 HA VAL A 93 -11.803 4.957 -6.910 1.00 13.34 H new ATOM 0 HB VAL A 93 -14.249 4.934 -8.709 1.00 22.04 H new ATOM 0 HG11 VAL A 93 -15.346 6.427 -7.088 1.00 61.01 H new ATOM 0 HG12 VAL A 93 -15.045 4.813 -6.402 1.00 61.01 H new ATOM 0 HG13 VAL A 93 -13.998 6.180 -5.953 1.00 61.01 H new ATOM 0 HG21 VAL A 93 -13.827 7.358 -8.800 1.00 21.23 H new ATOM 0 HG22 VAL A 93 -12.416 7.149 -7.736 1.00 21.23 H new ATOM 0 HG23 VAL A 93 -12.421 6.421 -9.360 1.00 21.23 H new ATOM 1465 N ASP A 94 -13.924 2.434 -7.248 1.00 24.34 N ATOM 1466 CA ASP A 94 -14.575 1.343 -6.531 1.00 45.00 C ATOM 1467 C ASP A 94 -13.561 0.275 -6.130 1.00 14.30 C ATOM 1468 O ASP A 94 -13.730 -0.406 -5.119 1.00 52.21 O ATOM 1469 CB ASP A 94 -15.674 0.722 -7.394 1.00 31.01 C ATOM 1470 CG ASP A 94 -16.695 -0.039 -6.571 1.00 71.02 C ATOM 1471 OD1 ASP A 94 -16.380 -1.162 -6.125 1.00 70.42 O ATOM 1472 OD2 ASP A 94 -17.809 0.489 -6.373 1.00 0.13 O ATOM 0 H ASP A 94 -14.094 2.438 -8.254 1.00 24.34 H new ATOM 0 HA ASP A 94 -15.023 1.752 -5.625 1.00 45.00 H new ATOM 0 HB2 ASP A 94 -16.178 1.508 -7.957 1.00 31.01 H new ATOM 0 HB3 ASP A 94 -15.223 0.048 -8.122 1.00 31.01 H new ATOM 1478 N ALA A 95 -12.510 0.135 -6.930 1.00 25.30 N ATOM 1479 CA ALA A 95 -11.469 -0.849 -6.658 1.00 30.10 C ATOM 1480 C ALA A 95 -10.627 -0.440 -5.454 1.00 54.41 C ATOM 1481 O ALA A 95 -10.516 -1.185 -4.481 1.00 24.43 O ATOM 1482 CB ALA A 95 -10.586 -1.036 -7.883 1.00 1.31 C ATOM 0 H ALA A 95 -12.356 0.690 -7.772 1.00 25.30 H new ATOM 0 HA ALA A 95 -11.953 -1.797 -6.424 1.00 30.10 H new ATOM 0 HB1 ALA A 95 -9.813 -1.773 -7.665 1.00 1.31 H new ATOM 0 HB2 ALA A 95 -11.193 -1.382 -8.720 1.00 1.31 H new ATOM 0 HB3 ALA A 95 -10.118 -0.086 -8.143 1.00 1.31 H new ATOM 1488 N ILE A 96 -10.037 0.749 -5.528 1.00 32.45 N ATOM 1489 CA ILE A 96 -9.206 1.256 -4.443 1.00 51.41 C ATOM 1490 C ILE A 96 -10.004 1.376 -3.149 1.00 42.40 C ATOM 1491 O ILE A 96 -9.489 1.107 -2.063 1.00 54.32 O ATOM 1492 CB ILE A 96 -8.604 2.631 -4.791 1.00 71.42 C ATOM 1493 CG1 ILE A 96 -7.695 2.518 -6.017 1.00 32.12 C ATOM 1494 CG2 ILE A 96 -7.834 3.188 -3.603 1.00 60.23 C ATOM 1495 CD1 ILE A 96 -6.472 1.660 -5.785 1.00 25.52 C ATOM 0 H ILE A 96 -10.119 1.378 -6.327 1.00 32.45 H new ATOM 0 HA ILE A 96 -8.397 0.539 -4.303 1.00 51.41 H new ATOM 0 HB ILE A 96 -9.417 3.318 -5.027 1.00 71.42 H new ATOM 0 HG12 ILE A 96 -8.268 2.104 -6.847 1.00 32.12 H new ATOM 0 HG13 ILE A 96 -7.377 3.517 -6.317 1.00 32.12 H new ATOM 0 HG21 ILE A 96 -7.415 4.160 -3.864 1.00 60.23 H new ATOM 0 HG22 ILE A 96 -8.507 3.300 -2.753 1.00 60.23 H new ATOM 0 HG23 ILE A 96 -7.027 2.504 -3.339 1.00 60.23 H new ATOM 0 HD11 ILE A 96 -5.874 1.625 -6.696 1.00 25.52 H new ATOM 0 HD12 ILE A 96 -5.877 2.085 -4.977 1.00 25.52 H new ATOM 0 HD13 ILE A 96 -6.782 0.650 -5.515 1.00 25.52 H new ATOM 1507 N TYR A 97 -11.263 1.780 -3.272 1.00 52.33 N ATOM 1508 CA TYR A 97 -12.133 1.937 -2.112 1.00 62.55 C ATOM 1509 C TYR A 97 -12.293 0.614 -1.369 1.00 62.34 C ATOM 1510 O TYR A 97 -12.417 0.588 -0.145 1.00 71.40 O ATOM 1511 CB TYR A 97 -13.503 2.461 -2.543 1.00 54.34 C ATOM 1512 CG TYR A 97 -13.619 3.968 -2.489 1.00 73.23 C ATOM 1513 CD1 TYR A 97 -12.584 4.780 -2.935 1.00 3.21 C ATOM 1514 CD2 TYR A 97 -14.764 4.579 -1.992 1.00 4.10 C ATOM 1515 CE1 TYR A 97 -12.685 6.157 -2.887 1.00 2.11 C ATOM 1516 CE2 TYR A 97 -14.874 5.955 -1.942 1.00 1.14 C ATOM 1517 CZ TYR A 97 -13.832 6.740 -2.390 1.00 21.21 C ATOM 1518 OH TYR A 97 -13.937 8.111 -2.340 1.00 74.10 O ATOM 0 H TYR A 97 -11.705 2.005 -4.164 1.00 52.33 H new ATOM 0 HA TYR A 97 -11.671 2.659 -1.438 1.00 62.55 H new ATOM 0 HB2 TYR A 97 -13.708 2.125 -3.560 1.00 54.34 H new ATOM 0 HB3 TYR A 97 -14.268 2.023 -1.902 1.00 54.34 H new ATOM 0 HD1 TYR A 97 -11.685 4.327 -3.326 1.00 3.21 H new ATOM 0 HD2 TYR A 97 -15.581 3.968 -1.639 1.00 4.10 H new ATOM 0 HE1 TYR A 97 -11.870 6.774 -3.237 1.00 2.11 H new ATOM 0 HE2 TYR A 97 -15.771 6.414 -1.554 1.00 1.14 H new ATOM 0 HH TYR A 97 -14.808 8.359 -1.965 1.00 74.10 H new ATOM 1528 N SER A 98 -12.288 -0.483 -2.120 1.00 30.41 N ATOM 1529 CA SER A 98 -12.436 -1.811 -1.534 1.00 43.34 C ATOM 1530 C SER A 98 -11.137 -2.259 -0.871 1.00 32.22 C ATOM 1531 O SER A 98 -11.118 -2.609 0.309 1.00 32.43 O ATOM 1532 CB SER A 98 -12.849 -2.821 -2.606 1.00 54.12 C ATOM 1533 OG SER A 98 -12.347 -4.113 -2.311 1.00 2.52 O ATOM 0 H SER A 98 -12.183 -0.479 -3.135 1.00 30.41 H new ATOM 0 HA SER A 98 -13.214 -1.761 -0.773 1.00 43.34 H new ATOM 0 HB2 SER A 98 -13.936 -2.857 -2.676 1.00 54.12 H new ATOM 0 HB3 SER A 98 -12.478 -2.496 -3.578 1.00 54.12 H new ATOM 0 HG SER A 98 -12.626 -4.740 -3.010 1.00 2.52 H new ATOM 1539 N VAL A 99 -10.052 -2.246 -1.639 1.00 12.13 N ATOM 1540 CA VAL A 99 -8.748 -2.650 -1.127 1.00 12.14 C ATOM 1541 C VAL A 99 -8.321 -1.772 0.044 1.00 13.40 C ATOM 1542 O VAL A 99 -8.003 -2.271 1.123 1.00 44.44 O ATOM 1543 CB VAL A 99 -7.669 -2.584 -2.224 1.00 14.11 C ATOM 1544 CG1 VAL A 99 -6.360 -3.173 -1.722 1.00 31.51 C ATOM 1545 CG2 VAL A 99 -8.141 -3.303 -3.478 1.00 73.44 C ATOM 0 H VAL A 99 -10.050 -1.960 -2.618 1.00 12.13 H new ATOM 0 HA VAL A 99 -8.847 -3.681 -0.787 1.00 12.14 H new ATOM 0 HB VAL A 99 -7.495 -1.538 -2.476 1.00 14.11 H new ATOM 0 HG11 VAL A 99 -5.610 -3.118 -2.511 1.00 31.51 H new ATOM 0 HG12 VAL A 99 -6.017 -2.610 -0.854 1.00 31.51 H new ATOM 0 HG13 VAL A 99 -6.514 -4.215 -1.440 1.00 31.51 H new ATOM 0 HG21 VAL A 99 -7.367 -3.247 -4.243 1.00 73.44 H new ATOM 0 HG22 VAL A 99 -8.344 -4.348 -3.244 1.00 73.44 H new ATOM 0 HG23 VAL A 99 -9.051 -2.830 -3.848 1.00 73.44 H new ATOM 1555 N GLU A 100 -8.318 -0.461 -0.177 1.00 53.30 N ATOM 1556 CA GLU A 100 -7.930 0.487 0.861 1.00 41.34 C ATOM 1557 C GLU A 100 -8.692 0.219 2.155 1.00 2.14 C ATOM 1558 O GLU A 100 -8.181 0.458 3.250 1.00 41.33 O ATOM 1559 CB GLU A 100 -8.185 1.922 0.393 1.00 34.25 C ATOM 1560 CG GLU A 100 -9.633 2.360 0.538 1.00 51.20 C ATOM 1561 CD GLU A 100 -9.892 3.726 -0.067 1.00 51.31 C ATOM 1562 OE1 GLU A 100 -8.975 4.269 -0.719 1.00 13.33 O ATOM 1563 OE2 GLU A 100 -11.010 4.252 0.111 1.00 54.41 O ATOM 0 H GLU A 100 -8.580 -0.032 -1.065 1.00 53.30 H new ATOM 0 HA GLU A 100 -6.865 0.359 1.054 1.00 41.34 H new ATOM 0 HB2 GLU A 100 -7.550 2.600 0.964 1.00 34.25 H new ATOM 0 HB3 GLU A 100 -7.890 2.013 -0.652 1.00 34.25 H new ATOM 0 HG2 GLU A 100 -10.281 1.626 0.059 1.00 51.20 H new ATOM 0 HG3 GLU A 100 -9.899 2.378 1.595 1.00 51.20 H new