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 Set 1.1: A 56 THR OG1 : rot 120:sc= -0.242 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.75 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0528 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.077) USER MOD Single : A 39 GLN : amide:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 41 MET CE :methyl 167:sc= 0 (180deg=-0.156) USER MOD Single : A 43 THR OG1 : rot -59:sc= 0.922 USER MOD Single : A 44 ASN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.219 F(o=-0.81,f=-0.22) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= -0.0316 (180deg=-0.083) USER MOD Single : A 67 MET CE :methyl -126:sc= -6.77! (180deg=-11.4!) 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= -0.187 F(o=-1.1,f=-0.19) 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+ -141:sc= -0.137 (180deg=-0.768) USER MOD Single : A 88 ASN : amide:sc= 0.738 K(o=0.74,f=-0.011) USER MOD Single : A 89 TYR OH : rot -68:sc= 1.03 USER MOD Single : A 90 THR OG1 : rot 29:sc= 0.32 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 3.436 -15.329 1.476 1.00 22.21 N ATOM 433 CA VAL A 31 4.241 -14.790 0.387 1.00 21.31 C ATOM 434 C VAL A 31 3.361 -14.186 -0.700 1.00 33.30 C ATOM 435 O VAL A 31 3.556 -14.446 -1.887 1.00 61.11 O ATOM 436 CB VAL A 31 5.138 -15.876 -0.238 1.00 31.13 C ATOM 437 CG1 VAL A 31 6.164 -16.369 0.771 1.00 53.11 C ATOM 438 CG2 VAL A 31 4.294 -17.029 -0.758 1.00 35.31 C ATOM 0 HA VAL A 31 4.871 -14.010 0.815 1.00 21.31 H new ATOM 0 HB VAL A 31 5.674 -15.438 -1.080 1.00 31.13 H new ATOM 0 HG11 VAL A 31 6.788 -17.135 0.311 1.00 53.11 H new ATOM 0 HG12 VAL A 31 6.790 -15.536 1.091 1.00 53.11 H new ATOM 0 HG13 VAL A 31 5.651 -16.790 1.636 1.00 53.11 H new ATOM 0 HG21 VAL A 31 4.944 -17.787 -1.196 1.00 35.31 H new ATOM 0 HG22 VAL A 31 3.729 -17.467 0.065 1.00 35.31 H new ATOM 0 HG23 VAL A 31 3.603 -16.661 -1.516 1.00 35.31 H new ATOM 448 N GLU A 32 2.390 -13.377 -0.287 1.00 62.40 N ATOM 449 CA GLU A 32 1.478 -12.736 -1.227 1.00 44.53 C ATOM 450 C GLU A 32 2.157 -11.561 -1.926 1.00 53.14 C ATOM 451 O GLU A 32 1.756 -11.159 -3.018 1.00 52.31 O ATOM 452 CB GLU A 32 0.220 -12.255 -0.503 1.00 15.21 C ATOM 453 CG GLU A 32 0.446 -11.028 0.364 1.00 45.31 C ATOM 454 CD GLU A 32 -0.829 -10.529 1.015 1.00 3.22 C ATOM 455 OE1 GLU A 32 -0.764 -9.525 1.755 1.00 21.44 O ATOM 456 OE2 GLU A 32 -1.893 -11.143 0.785 1.00 64.43 O ATOM 0 H GLU A 32 2.215 -13.150 0.692 1.00 62.40 H new ATOM 0 HA GLU A 32 1.196 -13.472 -1.980 1.00 44.53 H new ATOM 0 HB2 GLU A 32 -0.550 -12.031 -1.241 1.00 15.21 H new ATOM 0 HB3 GLU A 32 -0.162 -13.064 0.120 1.00 15.21 H new ATOM 0 HG2 GLU A 32 1.176 -11.265 1.138 1.00 45.31 H new ATOM 0 HG3 GLU A 32 0.874 -10.232 -0.245 1.00 45.31 H new ATOM 464 N SER A 33 3.186 -11.013 -1.287 1.00 22.04 N ATOM 465 CA SER A 33 3.918 -9.881 -1.844 1.00 11.11 C ATOM 466 C SER A 33 5.360 -10.268 -2.157 1.00 60.22 C ATOM 467 O SER A 33 6.014 -9.644 -2.994 1.00 13.13 O ATOM 468 CB SER A 33 3.894 -8.702 -0.869 1.00 73.34 C ATOM 469 OG SER A 33 2.572 -8.419 -0.443 1.00 64.45 O ATOM 0 H SER A 33 3.532 -11.335 -0.383 1.00 22.04 H new ATOM 0 HA SER A 33 3.430 -9.585 -2.773 1.00 11.11 H new ATOM 0 HB2 SER A 33 4.517 -8.929 -0.004 1.00 73.34 H new ATOM 0 HB3 SER A 33 4.321 -7.821 -1.348 1.00 73.34 H new ATOM 0 HG SER A 33 2.584 -7.663 0.180 1.00 64.45 H new ATOM 475 N ASP A 34 5.849 -11.300 -1.481 1.00 25.32 N ATOM 476 CA ASP A 34 7.214 -11.772 -1.687 1.00 0.15 C ATOM 477 C ASP A 34 7.442 -12.157 -3.144 1.00 75.41 C ATOM 478 O ASP A 34 8.562 -12.078 -3.651 1.00 4.22 O ATOM 479 CB ASP A 34 7.504 -12.969 -0.779 1.00 41.42 C ATOM 480 CG ASP A 34 8.906 -13.515 -0.972 1.00 74.13 C ATOM 481 OD1 ASP A 34 9.108 -14.727 -0.745 1.00 55.44 O ATOM 482 OD2 ASP A 34 9.800 -12.731 -1.352 1.00 62.31 O ATOM 0 H ASP A 34 5.321 -11.827 -0.785 1.00 25.32 H new ATOM 0 HA ASP A 34 7.895 -10.960 -1.434 1.00 0.15 H new ATOM 0 HB2 ASP A 34 7.373 -12.672 0.262 1.00 41.42 H new ATOM 0 HB3 ASP A 34 6.779 -13.758 -0.980 1.00 41.42 H new ATOM 488 N LEU A 35 6.373 -12.573 -3.815 1.00 24.31 N ATOM 489 CA LEU A 35 6.456 -12.972 -5.216 1.00 54.22 C ATOM 490 C LEU A 35 6.093 -11.810 -6.135 1.00 54.55 C ATOM 491 O LEU A 35 5.829 -12.003 -7.322 1.00 54.24 O ATOM 492 CB LEU A 35 5.529 -14.158 -5.485 1.00 63.22 C ATOM 493 CG LEU A 35 6.140 -15.546 -5.282 1.00 14.22 C ATOM 494 CD1 LEU A 35 7.232 -15.805 -6.308 1.00 13.33 C ATOM 495 CD2 LEU A 35 6.689 -15.684 -3.869 1.00 13.35 C ATOM 0 H LEU A 35 5.439 -12.643 -3.412 1.00 24.31 H new ATOM 0 HA LEU A 35 7.484 -13.268 -5.423 1.00 54.22 H new ATOM 0 HB2 LEU A 35 4.658 -14.068 -4.836 1.00 63.22 H new ATOM 0 HB3 LEU A 35 5.170 -14.087 -6.512 1.00 63.22 H new ATOM 0 HG LEU A 35 5.357 -16.291 -5.421 1.00 14.22 H new ATOM 0 HD11 LEU A 35 7.654 -16.797 -6.147 1.00 13.33 H new ATOM 0 HD12 LEU A 35 6.809 -15.749 -7.311 1.00 13.33 H new ATOM 0 HD13 LEU A 35 8.016 -15.055 -6.202 1.00 13.33 H new ATOM 0 HD21 LEU A 35 7.120 -16.677 -3.741 1.00 13.35 H new ATOM 0 HD22 LEU A 35 7.459 -14.930 -3.702 1.00 13.35 H new ATOM 0 HD23 LEU A 35 5.882 -15.544 -3.150 1.00 13.35 H new ATOM 507 N ASP A 36 6.083 -10.603 -5.579 1.00 22.14 N ATOM 508 CA ASP A 36 5.755 -9.409 -6.348 1.00 62.53 C ATOM 509 C ASP A 36 6.649 -9.294 -7.580 1.00 71.12 C ATOM 510 O ASP A 36 6.171 -9.032 -8.683 1.00 23.22 O ATOM 511 CB ASP A 36 5.902 -8.159 -5.479 1.00 75.31 C ATOM 512 CG ASP A 36 5.659 -6.880 -6.257 1.00 20.44 C ATOM 513 OD1 ASP A 36 4.478 -6.545 -6.495 1.00 65.10 O ATOM 514 OD2 ASP A 36 6.648 -6.215 -6.627 1.00 2.12 O ATOM 0 H ASP A 36 6.299 -10.426 -4.598 1.00 22.14 H new ATOM 0 HA ASP A 36 4.719 -9.493 -6.678 1.00 62.53 H new ATOM 0 HB2 ASP A 36 5.200 -8.214 -4.647 1.00 75.31 H new ATOM 0 HB3 ASP A 36 6.903 -8.135 -5.049 1.00 75.31 H new ATOM 520 N MET A 37 7.949 -9.490 -7.382 1.00 31.30 N ATOM 521 CA MET A 37 8.909 -9.408 -8.476 1.00 31.35 C ATOM 522 C MET A 37 8.502 -10.324 -9.626 1.00 64.12 C ATOM 523 O MET A 37 8.657 -9.973 -10.795 1.00 73.00 O ATOM 524 CB MET A 37 10.309 -9.779 -7.983 1.00 35.52 C ATOM 525 CG MET A 37 10.789 -8.927 -6.819 1.00 21.23 C ATOM 526 SD MET A 37 10.941 -7.184 -7.251 1.00 3.41 S ATOM 527 CE MET A 37 12.689 -7.079 -7.625 1.00 61.35 C ATOM 0 H MET A 37 8.361 -9.707 -6.474 1.00 31.30 H new ATOM 0 HA MET A 37 8.921 -8.381 -8.840 1.00 31.35 H new ATOM 0 HB2 MET A 37 10.313 -10.827 -7.682 1.00 35.52 H new ATOM 0 HB3 MET A 37 11.014 -9.682 -8.809 1.00 35.52 H new ATOM 0 HG2 MET A 37 10.094 -9.032 -5.986 1.00 21.23 H new ATOM 0 HG3 MET A 37 11.755 -9.298 -6.476 1.00 21.23 H new ATOM 0 HE1 MET A 37 12.939 -6.057 -7.910 1.00 61.35 H new ATOM 0 HE2 MET A 37 13.267 -7.362 -6.745 1.00 61.35 H new ATOM 0 HE3 MET A 37 12.926 -7.754 -8.447 1.00 61.35 H new ATOM 537 N GLN A 38 7.984 -11.500 -9.285 1.00 13.10 N ATOM 538 CA GLN A 38 7.556 -12.466 -10.290 1.00 1.33 C ATOM 539 C GLN A 38 6.292 -11.991 -10.999 1.00 43.41 C ATOM 540 O GLN A 38 6.023 -12.382 -12.134 1.00 54.35 O ATOM 541 CB GLN A 38 7.311 -13.830 -9.644 1.00 32.24 C ATOM 542 CG GLN A 38 7.700 -15.002 -10.530 1.00 34.42 C ATOM 543 CD GLN A 38 7.174 -16.326 -10.012 1.00 12.02 C ATOM 544 OE1 GLN A 38 7.935 -17.274 -9.810 1.00 51.45 O ATOM 545 NE2 GLN A 38 5.866 -16.400 -9.794 1.00 73.31 N ATOM 0 H GLN A 38 7.851 -11.806 -8.321 1.00 13.10 H new ATOM 0 HA GLN A 38 8.351 -12.560 -11.030 1.00 1.33 H new ATOM 0 HB2 GLN A 38 7.873 -13.888 -8.712 1.00 32.24 H new ATOM 0 HB3 GLN A 38 6.256 -13.916 -9.385 1.00 32.24 H new ATOM 0 HG2 GLN A 38 7.319 -14.833 -11.537 1.00 34.42 H new ATOM 0 HG3 GLN A 38 8.786 -15.051 -10.604 1.00 34.42 H new ATOM 0 HE21 GLN A 38 5.272 -15.591 -9.975 1.00 73.31 H new ATOM 0 HE22 GLN A 38 5.455 -17.266 -9.446 1.00 73.31 H new ATOM 554 N GLN A 39 5.521 -11.146 -10.321 1.00 22.42 N ATOM 555 CA GLN A 39 4.285 -10.620 -10.887 1.00 52.42 C ATOM 556 C GLN A 39 4.551 -9.349 -11.687 1.00 75.13 C ATOM 557 O GLN A 39 3.780 -8.992 -12.578 1.00 71.10 O ATOM 558 CB GLN A 39 3.272 -10.335 -9.777 1.00 21.43 C ATOM 559 CG GLN A 39 2.939 -11.553 -8.930 1.00 34.01 C ATOM 560 CD GLN A 39 2.058 -12.548 -9.661 1.00 70.03 C ATOM 561 OE1 GLN A 39 0.831 -12.492 -9.571 1.00 74.14 O ATOM 562 NE2 GLN A 39 2.681 -13.467 -10.389 1.00 32.20 N ATOM 0 H GLN A 39 5.731 -10.812 -9.380 1.00 22.42 H new ATOM 0 HA GLN A 39 3.874 -11.372 -11.560 1.00 52.42 H new ATOM 0 HB2 GLN A 39 3.665 -9.550 -9.131 1.00 21.43 H new ATOM 0 HB3 GLN A 39 2.355 -9.951 -10.223 1.00 21.43 H new ATOM 0 HG2 GLN A 39 3.864 -12.045 -8.628 1.00 34.01 H new ATOM 0 HG3 GLN A 39 2.437 -11.230 -8.018 1.00 34.01 H new ATOM 0 HE21 GLN A 39 3.700 -13.476 -10.435 1.00 32.20 H new ATOM 0 HE22 GLN A 39 2.141 -14.164 -10.902 1.00 32.20 H new ATOM 571 N ALA A 40 5.646 -8.671 -11.364 1.00 50.34 N ATOM 572 CA ALA A 40 6.014 -7.440 -12.053 1.00 41.35 C ATOM 573 C ALA A 40 6.263 -7.695 -13.536 1.00 14.03 C ATOM 574 O ALA A 40 6.149 -6.788 -14.359 1.00 54.43 O ATOM 575 CB ALA A 40 7.246 -6.821 -11.408 1.00 33.33 C ATOM 0 H ALA A 40 6.295 -8.953 -10.629 1.00 50.34 H new ATOM 0 HA ALA A 40 5.182 -6.741 -11.965 1.00 41.35 H new ATOM 0 HB1 ALA A 40 7.509 -5.903 -11.933 1.00 33.33 H new ATOM 0 HB2 ALA A 40 7.034 -6.594 -10.363 1.00 33.33 H new ATOM 0 HB3 ALA A 40 8.078 -7.523 -11.465 1.00 33.33 H new ATOM 581 N MET A 41 6.603 -8.936 -13.869 1.00 22.12 N ATOM 582 CA MET A 41 6.867 -9.310 -15.254 1.00 64.03 C ATOM 583 C MET A 41 5.566 -9.451 -16.036 1.00 75.12 C ATOM 584 O MET A 41 5.475 -9.032 -17.191 1.00 31.30 O ATOM 585 CB MET A 41 7.654 -10.621 -15.310 1.00 10.23 C ATOM 586 CG MET A 41 8.915 -10.610 -14.459 1.00 15.14 C ATOM 587 SD MET A 41 9.848 -12.147 -14.581 1.00 64.23 S ATOM 588 CE MET A 41 10.549 -11.988 -16.222 1.00 53.32 C ATOM 0 H MET A 41 6.702 -9.699 -13.200 1.00 22.12 H new ATOM 0 HA MET A 41 7.461 -8.518 -15.711 1.00 64.03 H new ATOM 0 HB2 MET A 41 7.010 -11.436 -14.980 1.00 10.23 H new ATOM 0 HB3 MET A 41 7.926 -10.828 -16.345 1.00 10.23 H new ATOM 0 HG2 MET A 41 9.549 -9.779 -14.767 1.00 15.14 H new ATOM 0 HG3 MET A 41 8.644 -10.435 -13.418 1.00 15.14 H new ATOM 0 HE1 MET A 41 11.329 -12.737 -16.359 1.00 53.32 H new ATOM 0 HE2 MET A 41 9.768 -12.138 -16.967 1.00 53.32 H new ATOM 0 HE3 MET A 41 10.977 -10.993 -16.340 1.00 53.32 H new ATOM 598 N LEU A 42 4.560 -10.043 -15.401 1.00 65.55 N ATOM 599 CA LEU A 42 3.263 -10.240 -16.039 1.00 22.12 C ATOM 600 C LEU A 42 2.499 -8.924 -16.138 1.00 40.55 C ATOM 601 O LEU A 42 1.534 -8.807 -16.893 1.00 62.42 O ATOM 602 CB LEU A 42 2.438 -11.264 -15.256 1.00 73.23 C ATOM 603 CG LEU A 42 2.804 -12.732 -15.481 1.00 54.32 C ATOM 604 CD1 LEU A 42 4.178 -13.035 -14.903 1.00 54.42 C ATOM 605 CD2 LEU A 42 1.752 -13.643 -14.864 1.00 1.24 C ATOM 0 H LEU A 42 4.618 -10.395 -14.445 1.00 65.55 H new ATOM 0 HA LEU A 42 3.435 -10.615 -17.048 1.00 22.12 H new ATOM 0 HB2 LEU A 42 2.537 -11.044 -14.193 1.00 73.23 H new ATOM 0 HB3 LEU A 42 1.388 -11.128 -15.513 1.00 73.23 H new ATOM 0 HG LEU A 42 2.835 -12.919 -16.554 1.00 54.32 H new ATOM 0 HD11 LEU A 42 4.421 -14.084 -15.073 1.00 54.42 H new ATOM 0 HD12 LEU A 42 4.924 -12.407 -15.389 1.00 54.42 H new ATOM 0 HD13 LEU A 42 4.175 -12.832 -13.832 1.00 54.42 H new ATOM 0 HD21 LEU A 42 2.028 -14.684 -15.033 1.00 1.24 H new ATOM 0 HD22 LEU A 42 1.690 -13.454 -13.792 1.00 1.24 H new ATOM 0 HD23 LEU A 42 0.784 -13.445 -15.324 1.00 1.24 H new ATOM 617 N THR A 43 2.939 -7.932 -15.369 1.00 74.23 N ATOM 618 CA THR A 43 2.298 -6.622 -15.370 1.00 30.21 C ATOM 619 C THR A 43 3.276 -5.532 -15.792 1.00 32.41 C ATOM 620 O THR A 43 3.376 -4.491 -15.146 1.00 0.43 O ATOM 621 CB THR A 43 1.728 -6.275 -13.982 1.00 23.52 C ATOM 622 OG1 THR A 43 1.097 -4.989 -14.019 1.00 24.25 O ATOM 623 CG2 THR A 43 2.827 -6.276 -12.930 1.00 11.33 C ATOM 0 H THR A 43 3.736 -8.011 -14.738 1.00 74.23 H new ATOM 0 HA THR A 43 1.480 -6.671 -16.089 1.00 30.21 H new ATOM 0 HB THR A 43 0.992 -7.033 -13.716 1.00 23.52 H new ATOM 0 HG1 THR A 43 1.750 -4.312 -14.292 1.00 24.25 H new ATOM 0 HG21 THR A 43 2.400 -6.028 -11.958 1.00 11.33 H new ATOM 0 HG22 THR A 43 3.286 -7.264 -12.884 1.00 11.33 H new ATOM 0 HG23 THR A 43 3.583 -5.537 -13.193 1.00 11.33 H new ATOM 631 N ASN A 44 3.994 -5.778 -16.883 1.00 62.12 N ATOM 632 CA ASN A 44 4.965 -4.816 -17.392 1.00 62.53 C ATOM 633 C ASN A 44 4.330 -3.439 -17.560 1.00 3.04 C ATOM 634 O ASN A 44 3.411 -3.261 -18.361 1.00 41.54 O ATOM 635 CB ASN A 44 5.534 -5.293 -18.730 1.00 22.34 C ATOM 636 CG ASN A 44 6.829 -4.591 -19.091 1.00 34.12 C ATOM 637 OD1 ASN A 44 7.919 -5.107 -18.842 1.00 35.32 O ATOM 638 ND2 ASN A 44 6.715 -3.407 -19.681 1.00 33.34 N ATOM 0 H ASN A 44 3.922 -6.635 -17.431 1.00 62.12 H new ATOM 0 HA ASN A 44 5.775 -4.738 -16.667 1.00 62.53 H new ATOM 0 HB2 ASN A 44 5.707 -6.368 -18.685 1.00 22.34 H new ATOM 0 HB3 ASN A 44 4.799 -5.121 -19.516 1.00 22.34 H new ATOM 0 HD21 ASN A 44 7.551 -2.887 -19.947 1.00 33.34 H new ATOM 0 HD22 ASN A 44 5.791 -3.017 -19.868 1.00 33.34 H new ATOM 718 N VAL A 49 -0.050 3.365 -18.917 1.00 20.31 N ATOM 719 CA VAL A 49 -0.334 2.933 -17.553 1.00 31.01 C ATOM 720 C VAL A 49 -0.108 4.066 -16.560 1.00 53.30 C ATOM 721 O VAL A 49 -0.754 4.127 -15.513 1.00 14.42 O ATOM 722 CB VAL A 49 0.541 1.731 -17.152 1.00 13.33 C ATOM 723 CG1 VAL A 49 0.284 1.343 -15.703 1.00 34.40 C ATOM 724 CG2 VAL A 49 0.287 0.553 -18.080 1.00 54.35 C ATOM 0 HA VAL A 49 -1.382 2.635 -17.527 1.00 31.01 H new ATOM 0 HB VAL A 49 1.588 2.019 -17.246 1.00 13.33 H new ATOM 0 HG11 VAL A 49 0.911 0.492 -15.438 1.00 34.40 H new ATOM 0 HG12 VAL A 49 0.521 2.185 -15.053 1.00 34.40 H new ATOM 0 HG13 VAL A 49 -0.765 1.074 -15.579 1.00 34.40 H new ATOM 0 HG21 VAL A 49 0.914 -0.287 -17.781 1.00 54.35 H new ATOM 0 HG22 VAL A 49 -0.762 0.262 -18.020 1.00 54.35 H new ATOM 0 HG23 VAL A 49 0.527 0.838 -19.104 1.00 54.35 H new ATOM 734 N LEU A 50 0.811 4.964 -16.894 1.00 42.03 N ATOM 735 CA LEU A 50 1.123 6.098 -16.031 1.00 71.22 C ATOM 736 C LEU A 50 -0.045 7.076 -15.975 1.00 51.54 C ATOM 737 O LEU A 50 -0.203 7.818 -15.004 1.00 32.53 O ATOM 738 CB LEU A 50 2.380 6.814 -16.530 1.00 53.43 C ATOM 739 CG LEU A 50 3.593 5.927 -16.808 1.00 11.14 C ATOM 740 CD1 LEU A 50 4.645 6.691 -17.596 1.00 20.34 C ATOM 741 CD2 LEU A 50 4.178 5.401 -15.505 1.00 4.32 C ATOM 0 H LEU A 50 1.354 4.929 -17.757 1.00 42.03 H new ATOM 0 HA LEU A 50 1.304 5.719 -15.025 1.00 71.22 H new ATOM 0 HB2 LEU A 50 2.129 7.349 -17.446 1.00 53.43 H new ATOM 0 HB3 LEU A 50 2.665 7.563 -15.791 1.00 53.43 H new ATOM 0 HG LEU A 50 3.267 5.077 -17.407 1.00 11.14 H new ATOM 0 HD11 LEU A 50 5.501 6.043 -17.784 1.00 20.34 H new ATOM 0 HD12 LEU A 50 4.222 7.018 -18.546 1.00 20.34 H new ATOM 0 HD13 LEU A 50 4.968 7.561 -17.024 1.00 20.34 H new ATOM 0 HD21 LEU A 50 5.041 4.771 -15.722 1.00 4.32 H new ATOM 0 HD22 LEU A 50 4.488 6.239 -14.881 1.00 4.32 H new ATOM 0 HD23 LEU A 50 3.425 4.815 -14.978 1.00 4.32 H new ATOM 753 N LYS A 51 -0.864 7.073 -17.021 1.00 70.43 N ATOM 754 CA LYS A 51 -2.022 7.958 -17.090 1.00 61.33 C ATOM 755 C LYS A 51 -3.026 7.626 -15.993 1.00 52.41 C ATOM 756 O LYS A 51 -3.634 8.520 -15.404 1.00 72.41 O ATOM 757 CB LYS A 51 -2.693 7.846 -18.461 1.00 64.42 C ATOM 758 CG LYS A 51 -1.790 8.250 -19.615 1.00 72.00 C ATOM 759 CD LYS A 51 -2.594 8.579 -20.863 1.00 24.34 C ATOM 760 CE LYS A 51 -1.779 9.398 -21.850 1.00 40.13 C ATOM 761 NZ LYS A 51 -0.866 8.546 -22.660 1.00 60.51 N ATOM 0 H LYS A 51 -0.748 6.467 -17.833 1.00 70.43 H new ATOM 0 HA LYS A 51 -1.676 8.981 -16.943 1.00 61.33 H new ATOM 0 HB2 LYS A 51 -3.023 6.818 -18.612 1.00 64.42 H new ATOM 0 HB3 LYS A 51 -3.585 8.472 -18.472 1.00 64.42 H new ATOM 0 HG2 LYS A 51 -1.194 9.116 -19.326 1.00 72.00 H new ATOM 0 HG3 LYS A 51 -1.093 7.441 -19.833 1.00 72.00 H new ATOM 0 HD2 LYS A 51 -2.923 7.655 -21.339 1.00 24.34 H new ATOM 0 HD3 LYS A 51 -3.491 9.131 -20.584 1.00 24.34 H new ATOM 0 HE2 LYS A 51 -2.452 9.941 -22.513 1.00 40.13 H new ATOM 0 HE3 LYS A 51 -1.195 10.143 -21.309 1.00 40.13 H new ATOM 0 HZ1 LYS A 51 -0.329 9.143 -23.320 1.00 60.51 H new ATOM 0 HZ2 LYS A 51 -0.207 8.047 -22.030 1.00 60.51 H new ATOM 0 HZ3 LYS A 51 -1.424 7.852 -23.197 1.00 60.51 H new ATOM 775 N ALA A 52 -3.195 6.336 -15.720 1.00 70.34 N ATOM 776 CA ALA A 52 -4.124 5.887 -14.691 1.00 50.42 C ATOM 777 C ALA A 52 -3.711 6.405 -13.317 1.00 22.04 C ATOM 778 O ALA A 52 -4.548 6.863 -12.538 1.00 13.10 O ATOM 779 CB ALA A 52 -4.208 4.368 -14.681 1.00 61.23 C ATOM 0 H ALA A 52 -2.700 5.583 -16.198 1.00 70.34 H new ATOM 0 HA ALA A 52 -5.109 6.292 -14.923 1.00 50.42 H new ATOM 0 HB1 ALA A 52 -4.906 4.047 -13.907 1.00 61.23 H new ATOM 0 HB2 ALA A 52 -4.556 4.016 -15.652 1.00 61.23 H new ATOM 0 HB3 ALA A 52 -3.222 3.950 -14.476 1.00 61.23 H new ATOM 785 N LEU A 53 -2.418 6.327 -13.025 1.00 44.33 N ATOM 786 CA LEU A 53 -1.894 6.788 -11.743 1.00 64.43 C ATOM 787 C LEU A 53 -2.200 8.267 -11.530 1.00 2.14 C ATOM 788 O LEU A 53 -2.204 8.751 -10.398 1.00 14.02 O ATOM 789 CB LEU A 53 -0.384 6.553 -11.673 1.00 62.20 C ATOM 790 CG LEU A 53 0.081 5.110 -11.878 1.00 72.31 C ATOM 791 CD1 LEU A 53 1.598 5.025 -11.823 1.00 42.14 C ATOM 792 CD2 LEU A 53 -0.545 4.196 -10.835 1.00 25.32 C ATOM 0 H LEU A 53 -1.713 5.949 -13.658 1.00 44.33 H new ATOM 0 HA LEU A 53 -2.382 6.217 -10.953 1.00 64.43 H new ATOM 0 HB2 LEU A 53 0.096 7.179 -12.425 1.00 62.20 H new ATOM 0 HB3 LEU A 53 -0.028 6.894 -10.701 1.00 62.20 H new ATOM 0 HG LEU A 53 -0.245 4.780 -12.864 1.00 72.31 H new ATOM 0 HD11 LEU A 53 1.910 3.991 -11.971 1.00 42.14 H new ATOM 0 HD12 LEU A 53 2.026 5.649 -12.608 1.00 42.14 H new ATOM 0 HD13 LEU A 53 1.947 5.374 -10.851 1.00 42.14 H new ATOM 0 HD21 LEU A 53 -0.204 3.173 -10.995 1.00 25.32 H new ATOM 0 HD22 LEU A 53 -0.250 4.525 -9.839 1.00 25.32 H new ATOM 0 HD23 LEU A 53 -1.631 4.234 -10.923 1.00 25.32 H new ATOM 804 N GLU A 54 -2.457 8.977 -12.623 1.00 51.23 N ATOM 805 CA GLU A 54 -2.766 10.400 -12.554 1.00 54.15 C ATOM 806 C GLU A 54 -4.107 10.633 -11.864 1.00 2.01 C ATOM 807 O GLU A 54 -4.267 11.585 -11.100 1.00 42.51 O ATOM 808 CB GLU A 54 -2.790 11.008 -13.958 1.00 45.23 C ATOM 809 CG GLU A 54 -1.549 10.697 -14.777 1.00 41.55 C ATOM 810 CD GLU A 54 -0.265 10.951 -14.010 1.00 13.22 C ATOM 811 OE1 GLU A 54 -0.178 11.995 -13.330 1.00 4.52 O ATOM 812 OE2 GLU A 54 0.652 10.108 -14.091 1.00 23.04 O ATOM 0 H GLU A 54 -2.457 8.590 -13.567 1.00 51.23 H new ATOM 0 HA GLU A 54 -1.986 10.887 -11.968 1.00 54.15 H new ATOM 0 HB2 GLU A 54 -3.667 10.640 -14.489 1.00 45.23 H new ATOM 0 HB3 GLU A 54 -2.899 12.089 -13.875 1.00 45.23 H new ATOM 0 HG2 GLU A 54 -1.579 9.654 -15.093 1.00 41.55 H new ATOM 0 HG3 GLU A 54 -1.554 11.305 -15.682 1.00 41.55 H new ATOM 820 N ARG A 55 -5.068 9.757 -12.139 1.00 72.24 N ATOM 821 CA ARG A 55 -6.395 9.868 -11.548 1.00 10.42 C ATOM 822 C ARG A 55 -6.389 9.372 -10.104 1.00 35.33 C ATOM 823 O ARG A 55 -7.105 9.900 -9.252 1.00 75.30 O ATOM 824 CB ARG A 55 -7.411 9.071 -12.368 1.00 24.14 C ATOM 825 CG ARG A 55 -8.730 8.841 -11.648 1.00 74.25 C ATOM 826 CD ARG A 55 -9.379 10.156 -11.244 1.00 45.30 C ATOM 827 NE ARG A 55 -10.699 10.324 -11.847 1.00 4.42 N ATOM 828 CZ ARG A 55 -11.432 11.424 -11.717 1.00 42.24 C ATOM 829 NH1 ARG A 55 -10.975 12.450 -11.011 1.00 3.05 N ATOM 830 NH2 ARG A 55 -12.623 11.501 -12.295 1.00 73.21 N ATOM 0 H ARG A 55 -4.952 8.962 -12.768 1.00 72.24 H new ATOM 0 HA ARG A 55 -6.681 10.920 -11.553 1.00 10.42 H new ATOM 0 HB2 ARG A 55 -7.604 9.598 -13.302 1.00 24.14 H new ATOM 0 HB3 ARG A 55 -6.977 8.106 -12.630 1.00 24.14 H new ATOM 0 HG2 ARG A 55 -9.407 8.283 -12.295 1.00 74.25 H new ATOM 0 HG3 ARG A 55 -8.561 8.230 -10.762 1.00 74.25 H new ATOM 0 HD2 ARG A 55 -9.469 10.197 -10.158 1.00 45.30 H new ATOM 0 HD3 ARG A 55 -8.736 10.984 -11.543 1.00 45.30 H new ATOM 0 HE ARG A 55 -11.079 9.554 -12.398 1.00 4.42 H new ATOM 0 HH11 ARG A 55 -10.059 12.395 -10.566 1.00 3.05 H new ATOM 0 HH12 ARG A 55 -11.540 13.294 -10.913 1.00 3.05 H new ATOM 0 HH21 ARG A 55 -12.977 10.715 -12.840 1.00 73.21 H new ATOM 0 HH22 ARG A 55 -13.185 12.346 -12.194 1.00 73.21 H new ATOM 844 N THR A 56 -5.578 8.355 -9.837 1.00 1.14 N ATOM 845 CA THR A 56 -5.481 7.786 -8.498 1.00 43.43 C ATOM 846 C THR A 56 -4.681 8.696 -7.572 1.00 4.32 C ATOM 847 O THR A 56 -5.075 8.937 -6.431 1.00 23.42 O ATOM 848 CB THR A 56 -4.822 6.393 -8.524 1.00 74.33 C ATOM 849 OG1 THR A 56 -3.401 6.525 -8.640 1.00 32.00 O ATOM 850 CG2 THR A 56 -5.355 5.565 -9.684 1.00 55.23 C ATOM 0 H THR A 56 -4.978 7.907 -10.530 1.00 1.14 H new ATOM 0 HA THR A 56 -6.499 7.690 -8.121 1.00 43.43 H new ATOM 0 HB THR A 56 -5.064 5.883 -7.591 1.00 74.33 H new ATOM 0 HG1 THR A 56 -2.970 6.112 -7.863 1.00 32.00 H new ATOM 0 HG21 THR A 56 -4.876 4.586 -9.683 1.00 55.23 H new ATOM 0 HG22 THR A 56 -6.433 5.442 -9.578 1.00 55.23 H new ATOM 0 HG23 THR A 56 -5.139 6.073 -10.624 1.00 55.23 H new ATOM 858 N ARG A 57 -3.555 9.198 -8.069 1.00 61.43 N ATOM 859 CA ARG A 57 -2.700 10.080 -7.286 1.00 23.13 C ATOM 860 C ARG A 57 -3.491 11.271 -6.752 1.00 3.12 C ATOM 861 O ARG A 57 -3.148 11.842 -5.717 1.00 70.42 O ATOM 862 CB ARG A 57 -1.527 10.573 -8.134 1.00 43.34 C ATOM 863 CG ARG A 57 -1.933 11.541 -9.233 1.00 1.00 C ATOM 864 CD ARG A 57 -0.732 12.285 -9.793 1.00 44.32 C ATOM 865 NE ARG A 57 0.315 11.373 -10.247 1.00 51.32 N ATOM 866 CZ ARG A 57 1.422 11.773 -10.863 1.00 3.32 C ATOM 867 NH1 ARG A 57 1.626 13.062 -11.095 1.00 45.12 N ATOM 868 NH2 ARG A 57 2.328 10.882 -11.246 1.00 45.42 N ATOM 0 H ARG A 57 -3.214 9.008 -9.011 1.00 61.43 H new ATOM 0 HA ARG A 57 -2.314 9.513 -6.439 1.00 23.13 H new ATOM 0 HB2 ARG A 57 -0.799 11.059 -7.484 1.00 43.34 H new ATOM 0 HB3 ARG A 57 -1.029 9.714 -8.584 1.00 43.34 H new ATOM 0 HG2 ARG A 57 -2.430 10.995 -10.035 1.00 1.00 H new ATOM 0 HG3 ARG A 57 -2.655 12.257 -8.840 1.00 1.00 H new ATOM 0 HD2 ARG A 57 -1.051 12.914 -10.625 1.00 44.32 H new ATOM 0 HD3 ARG A 57 -0.328 12.949 -9.028 1.00 44.32 H new ATOM 0 HE ARG A 57 0.189 10.374 -10.082 1.00 51.32 H new ATOM 0 HH11 ARG A 57 0.932 13.749 -10.800 1.00 45.12 H new ATOM 0 HH12 ARG A 57 2.477 13.367 -11.568 1.00 45.12 H new ATOM 0 HH21 ARG A 57 2.175 9.890 -11.067 1.00 45.42 H new ATOM 0 HH22 ARG A 57 3.178 11.190 -11.719 1.00 45.42 H new ATOM 882 N GLN A 58 -4.551 11.638 -7.465 1.00 43.54 N ATOM 883 CA GLN A 58 -5.389 12.762 -7.063 1.00 32.43 C ATOM 884 C GLN A 58 -6.080 12.476 -5.734 1.00 53.14 C ATOM 885 O GLN A 58 -6.208 13.362 -4.886 1.00 25.34 O ATOM 886 CB GLN A 58 -6.433 13.057 -8.141 1.00 71.24 C ATOM 887 CG GLN A 58 -5.865 13.769 -9.359 1.00 42.13 C ATOM 888 CD GLN A 58 -5.482 15.206 -9.068 1.00 70.23 C ATOM 889 OE1 GLN A 58 -4.279 15.404 -8.543 1.00 33.14 O flip ATOM 890 NE2 GLN A 58 -6.258 16.130 -9.314 1.00 22.03 N flip ATOM 0 H GLN A 58 -4.850 11.174 -8.323 1.00 43.54 H new ATOM 0 HA GLN A 58 -4.749 13.635 -6.939 1.00 32.43 H new ATOM 0 HB2 GLN A 58 -6.890 12.120 -8.459 1.00 71.24 H new ATOM 0 HB3 GLN A 58 -7.226 13.668 -7.710 1.00 71.24 H new ATOM 0 HG2 GLN A 58 -4.988 13.228 -9.715 1.00 42.13 H new ATOM 0 HG3 GLN A 58 -6.601 13.749 -10.163 1.00 42.13 H new ATOM 0 HE21 GLN A 58 -7.174 15.933 -9.718 1.00 22.03 H new ATOM 0 HE22 GLN A 58 -5.985 17.092 -9.114 1.00 22.03 H new ATOM 899 N LEU A 59 -6.525 11.237 -5.559 1.00 12.40 N ATOM 900 CA LEU A 59 -7.205 10.835 -4.332 1.00 25.23 C ATOM 901 C LEU A 59 -6.218 10.235 -3.335 1.00 41.54 C ATOM 902 O LEU A 59 -6.617 9.621 -2.344 1.00 63.24 O ATOM 903 CB LEU A 59 -8.308 9.823 -4.644 1.00 73.55 C ATOM 904 CG LEU A 59 -9.216 10.166 -5.827 1.00 33.24 C ATOM 905 CD1 LEU A 59 -9.232 9.027 -6.834 1.00 64.20 C ATOM 906 CD2 LEU A 59 -10.627 10.473 -5.344 1.00 61.32 C ATOM 0 H LEU A 59 -6.428 10.493 -6.250 1.00 12.40 H new ATOM 0 HA LEU A 59 -7.651 11.724 -3.886 1.00 25.23 H new ATOM 0 HB2 LEU A 59 -7.843 8.856 -4.836 1.00 73.55 H new ATOM 0 HB3 LEU A 59 -8.929 9.707 -3.756 1.00 73.55 H new ATOM 0 HG LEU A 59 -8.820 11.054 -6.320 1.00 33.24 H new ATOM 0 HD11 LEU A 59 -9.883 9.288 -7.668 1.00 64.20 H new ATOM 0 HD12 LEU A 59 -8.221 8.853 -7.203 1.00 64.20 H new ATOM 0 HD13 LEU A 59 -9.604 8.122 -6.354 1.00 64.20 H new ATOM 0 HD21 LEU A 59 -11.259 10.715 -6.198 1.00 61.32 H new ATOM 0 HD22 LEU A 59 -11.032 9.603 -4.827 1.00 61.32 H new ATOM 0 HD23 LEU A 59 -10.601 11.321 -4.660 1.00 61.32 H new ATOM 918 N ASP A 60 -4.930 10.420 -3.601 1.00 23.21 N ATOM 919 CA ASP A 60 -3.886 9.900 -2.725 1.00 43.34 C ATOM 920 C ASP A 60 -3.913 8.376 -2.693 1.00 5.10 C ATOM 921 O ASP A 60 -4.353 7.773 -1.713 1.00 40.14 O ATOM 922 CB ASP A 60 -4.053 10.456 -1.310 1.00 33.43 C ATOM 923 CG ASP A 60 -4.540 11.892 -1.306 1.00 34.24 C ATOM 924 OD1 ASP A 60 -5.398 12.226 -0.462 1.00 1.23 O ATOM 925 OD2 ASP A 60 -4.063 12.683 -2.147 1.00 25.43 O ATOM 0 H ASP A 60 -4.583 10.926 -4.416 1.00 23.21 H new ATOM 0 HA ASP A 60 -2.922 10.220 -3.120 1.00 43.34 H new ATOM 0 HB2 ASP A 60 -4.759 9.834 -0.759 1.00 33.43 H new ATOM 0 HB3 ASP A 60 -3.100 10.397 -0.785 1.00 33.43 H new ATOM 931 N ILE A 61 -3.440 7.757 -3.770 1.00 52.53 N ATOM 932 CA ILE A 61 -3.410 6.304 -3.864 1.00 34.35 C ATOM 933 C ILE A 61 -2.029 5.807 -4.278 1.00 44.33 C ATOM 934 O ILE A 61 -1.430 6.292 -5.239 1.00 4.24 O ATOM 935 CB ILE A 61 -4.453 5.783 -4.872 1.00 40.14 C ATOM 936 CG1 ILE A 61 -5.799 6.474 -4.647 1.00 32.45 C ATOM 937 CG2 ILE A 61 -4.599 4.274 -4.751 1.00 5.11 C ATOM 938 CD1 ILE A 61 -6.835 6.132 -5.695 1.00 12.02 C ATOM 0 H ILE A 61 -3.072 8.240 -4.590 1.00 52.53 H new ATOM 0 HA ILE A 61 -3.650 5.920 -2.873 1.00 34.35 H new ATOM 0 HB ILE A 61 -4.110 6.015 -5.880 1.00 40.14 H new ATOM 0 HG12 ILE A 61 -6.182 6.196 -3.665 1.00 32.45 H new ATOM 0 HG13 ILE A 61 -5.647 7.553 -4.636 1.00 32.45 H new ATOM 0 HG21 ILE A 61 -5.339 3.921 -5.469 1.00 5.11 H new ATOM 0 HG22 ILE A 61 -3.640 3.798 -4.955 1.00 5.11 H new ATOM 0 HG23 ILE A 61 -4.923 4.020 -3.742 1.00 5.11 H new ATOM 0 HD11 ILE A 61 -7.764 6.657 -5.473 1.00 12.02 H new ATOM 0 HD12 ILE A 61 -6.473 6.435 -6.677 1.00 12.02 H new ATOM 0 HD13 ILE A 61 -7.016 5.057 -5.691 1.00 12.02 H new ATOM 950 N PRO A 62 -1.510 4.817 -3.538 1.00 4.11 N ATOM 951 CA PRO A 62 -0.194 4.231 -3.810 1.00 44.33 C ATOM 952 C PRO A 62 -0.179 3.411 -5.095 1.00 63.24 C ATOM 953 O PRO A 62 -1.127 2.683 -5.389 1.00 61.41 O ATOM 954 CB PRO A 62 0.051 3.329 -2.597 1.00 75.40 C ATOM 955 CG PRO A 62 -1.311 2.988 -2.099 1.00 24.01 C ATOM 956 CD PRO A 62 -2.168 4.190 -2.379 1.00 54.22 C ATOM 0 HA PRO A 62 0.571 4.995 -3.952 1.00 44.33 H new ATOM 0 HB2 PRO A 62 0.607 2.434 -2.875 1.00 75.40 H new ATOM 0 HB3 PRO A 62 0.635 3.842 -1.833 1.00 75.40 H new ATOM 0 HG2 PRO A 62 -1.701 2.105 -2.604 1.00 24.01 H new ATOM 0 HG3 PRO A 62 -1.291 2.763 -1.033 1.00 24.01 H new ATOM 0 HD2 PRO A 62 -3.196 3.906 -2.605 1.00 54.22 H new ATOM 0 HD3 PRO A 62 -2.205 4.865 -1.524 1.00 54.22 H new ATOM 964 N ASP A 63 0.903 3.534 -5.857 1.00 41.31 N ATOM 965 CA ASP A 63 1.042 2.803 -7.111 1.00 21.44 C ATOM 966 C ASP A 63 1.173 1.304 -6.855 1.00 3.41 C ATOM 967 O ASP A 63 1.109 0.499 -7.782 1.00 31.34 O ATOM 968 CB ASP A 63 2.258 3.308 -7.889 1.00 24.14 C ATOM 969 CG ASP A 63 2.366 4.821 -7.875 1.00 24.54 C ATOM 970 OD1 ASP A 63 1.314 5.490 -7.811 1.00 10.30 O ATOM 971 OD2 ASP A 63 3.504 5.333 -7.927 1.00 35.53 O ATOM 0 H ASP A 63 1.696 4.133 -5.628 1.00 41.31 H new ATOM 0 HA ASP A 63 0.144 2.975 -7.704 1.00 21.44 H new ATOM 0 HB2 ASP A 63 3.164 2.878 -7.461 1.00 24.14 H new ATOM 0 HB3 ASP A 63 2.196 2.960 -8.920 1.00 24.14 H new ATOM 977 N GLU A 64 1.359 0.939 -5.590 1.00 10.10 N ATOM 978 CA GLU A 64 1.501 -0.462 -5.213 1.00 4.41 C ATOM 979 C GLU A 64 0.149 -1.169 -5.228 1.00 65.43 C ATOM 980 O GLU A 64 0.063 -2.362 -5.521 1.00 21.40 O ATOM 981 CB GLU A 64 2.134 -0.578 -3.825 1.00 44.54 C ATOM 982 CG GLU A 64 3.336 0.332 -3.625 1.00 31.25 C ATOM 983 CD GLU A 64 4.437 0.073 -4.635 1.00 0.32 C ATOM 984 OE1 GLU A 64 4.651 -1.105 -4.988 1.00 65.23 O ATOM 985 OE2 GLU A 64 5.083 1.048 -5.071 1.00 4.42 O ATOM 0 H GLU A 64 1.415 1.594 -4.810 1.00 10.10 H new ATOM 0 HA GLU A 64 2.152 -0.944 -5.943 1.00 4.41 H new ATOM 0 HB2 GLU A 64 1.382 -0.344 -3.071 1.00 44.54 H new ATOM 0 HB3 GLU A 64 2.440 -1.611 -3.660 1.00 44.54 H new ATOM 0 HG2 GLU A 64 3.017 1.371 -3.700 1.00 31.25 H new ATOM 0 HG3 GLU A 64 3.730 0.191 -2.619 1.00 31.25 H new ATOM 993 N LYS A 65 -0.904 -0.426 -4.909 1.00 23.44 N ATOM 994 CA LYS A 65 -2.253 -0.980 -4.886 1.00 63.22 C ATOM 995 C LYS A 65 -3.002 -0.641 -6.171 1.00 73.14 C ATOM 996 O LYS A 65 -3.879 -1.388 -6.606 1.00 53.23 O ATOM 997 CB LYS A 65 -3.025 -0.446 -3.678 1.00 5.11 C ATOM 998 CG LYS A 65 -3.610 0.938 -3.892 1.00 53.45 C ATOM 999 CD LYS A 65 -4.221 1.491 -2.615 1.00 21.54 C ATOM 1000 CE LYS A 65 -5.356 0.609 -2.115 1.00 40.31 C ATOM 1001 NZ LYS A 65 -5.043 0.001 -0.793 1.00 4.33 N ATOM 0 H LYS A 65 -0.850 0.562 -4.662 1.00 23.44 H new ATOM 0 HA LYS A 65 -2.172 -2.064 -4.808 1.00 63.22 H new ATOM 0 HB2 LYS A 65 -3.832 -1.139 -3.438 1.00 5.11 H new ATOM 0 HB3 LYS A 65 -2.360 -0.420 -2.815 1.00 5.11 H new ATOM 0 HG2 LYS A 65 -2.830 1.613 -4.245 1.00 53.45 H new ATOM 0 HG3 LYS A 65 -4.371 0.895 -4.671 1.00 53.45 H new ATOM 0 HD2 LYS A 65 -3.452 1.568 -1.846 1.00 21.54 H new ATOM 0 HD3 LYS A 65 -4.594 2.499 -2.795 1.00 21.54 H new ATOM 0 HE2 LYS A 65 -6.268 1.201 -2.036 1.00 40.31 H new ATOM 0 HE3 LYS A 65 -5.550 -0.180 -2.841 1.00 40.31 H new ATOM 0 HZ1 LYS A 65 -5.866 -0.537 -0.455 1.00 4.33 H new ATOM 0 HZ2 LYS A 65 -4.227 -0.637 -0.889 1.00 4.33 H new ATOM 0 HZ3 LYS A 65 -4.817 0.752 -0.110 1.00 4.33 H new ATOM 1015 N THR A 66 -2.649 0.490 -6.775 1.00 34.11 N ATOM 1016 CA THR A 66 -3.289 0.927 -8.010 1.00 24.10 C ATOM 1017 C THR A 66 -2.814 0.097 -9.198 1.00 54.41 C ATOM 1018 O THR A 66 -3.560 -0.117 -10.155 1.00 42.31 O ATOM 1019 CB THR A 66 -3.006 2.415 -8.293 1.00 5.00 C ATOM 1020 OG1 THR A 66 -3.524 3.222 -7.230 1.00 4.34 O ATOM 1021 CG2 THR A 66 -3.630 2.843 -9.613 1.00 0.23 C ATOM 0 H THR A 66 -1.924 1.119 -6.429 1.00 34.11 H new ATOM 0 HA THR A 66 -4.362 0.787 -7.877 1.00 24.10 H new ATOM 0 HB THR A 66 -1.927 2.551 -8.359 1.00 5.00 H new ATOM 0 HG1 THR A 66 -3.339 4.166 -7.416 1.00 4.34 H new ATOM 0 HG21 THR A 66 -3.417 3.897 -9.791 1.00 0.23 H new ATOM 0 HG22 THR A 66 -3.212 2.246 -10.424 1.00 0.23 H new ATOM 0 HG23 THR A 66 -4.709 2.693 -9.571 1.00 0.23 H new ATOM 1029 N MET A 67 -1.572 -0.369 -9.131 1.00 12.54 N ATOM 1030 CA MET A 67 -1.000 -1.178 -10.200 1.00 11.02 C ATOM 1031 C MET A 67 -1.926 -2.337 -10.560 1.00 41.51 C ATOM 1032 O MET A 67 -2.375 -2.472 -11.698 1.00 10.24 O ATOM 1033 CB MET A 67 0.371 -1.715 -9.786 1.00 13.24 C ATOM 1034 CG MET A 67 1.534 -0.922 -10.361 1.00 2.24 C ATOM 1035 SD MET A 67 1.883 -1.347 -12.077 1.00 20.31 S ATOM 1036 CE MET A 67 0.869 -0.147 -12.937 1.00 43.32 C ATOM 0 H MET A 67 -0.942 -0.200 -8.347 1.00 12.54 H new ATOM 0 HA MET A 67 -0.883 -0.543 -11.078 1.00 11.02 H new ATOM 0 HB2 MET A 67 0.441 -1.709 -8.698 1.00 13.24 H new ATOM 0 HB3 MET A 67 0.457 -2.754 -10.106 1.00 13.24 H new ATOM 0 HG2 MET A 67 1.312 0.143 -10.293 1.00 2.24 H new ATOM 0 HG3 MET A 67 2.424 -1.101 -9.758 1.00 2.24 H new ATOM 0 HE1 MET A 67 0.212 -0.662 -13.638 1.00 43.32 H new ATOM 0 HE2 MET A 67 0.268 0.405 -12.215 1.00 43.32 H new ATOM 0 HE3 MET A 67 1.509 0.547 -13.482 1.00 43.32 H new ATOM 1046 N PRO A 68 -2.218 -3.191 -9.569 1.00 2.23 N ATOM 1047 CA PRO A 68 -3.092 -4.353 -9.757 1.00 52.13 C ATOM 1048 C PRO A 68 -4.548 -3.953 -9.974 1.00 4.42 C ATOM 1049 O PRO A 68 -5.365 -4.762 -10.415 1.00 71.03 O ATOM 1050 CB PRO A 68 -2.939 -5.128 -8.446 1.00 32.30 C ATOM 1051 CG PRO A 68 -2.544 -4.101 -7.443 1.00 34.24 C ATOM 1052 CD PRO A 68 -1.717 -3.091 -8.188 1.00 53.12 C ATOM 0 HA PRO A 68 -2.821 -4.929 -10.642 1.00 52.13 H new ATOM 0 HB2 PRO A 68 -3.871 -5.618 -8.165 1.00 32.30 H new ATOM 0 HB3 PRO A 68 -2.182 -5.908 -8.533 1.00 32.30 H new ATOM 0 HG2 PRO A 68 -3.422 -3.634 -6.997 1.00 34.24 H new ATOM 0 HG3 PRO A 68 -1.973 -4.549 -6.630 1.00 34.24 H new ATOM 0 HD2 PRO A 68 -1.849 -2.087 -7.784 1.00 53.12 H new ATOM 0 HD3 PRO A 68 -0.653 -3.321 -8.129 1.00 53.12 H new ATOM 1060 N VAL A 69 -4.865 -2.702 -9.661 1.00 13.43 N ATOM 1061 CA VAL A 69 -6.223 -2.194 -9.822 1.00 43.13 C ATOM 1062 C VAL A 69 -6.493 -1.801 -11.270 1.00 15.22 C ATOM 1063 O VAL A 69 -7.517 -2.175 -11.846 1.00 65.11 O ATOM 1064 CB VAL A 69 -6.479 -0.977 -8.914 1.00 31.02 C ATOM 1065 CG1 VAL A 69 -7.726 -0.230 -9.362 1.00 52.54 C ATOM 1066 CG2 VAL A 69 -6.600 -1.412 -7.462 1.00 54.23 C ATOM 0 H VAL A 69 -4.201 -2.021 -9.294 1.00 13.43 H new ATOM 0 HA VAL A 69 -6.899 -2.999 -9.535 1.00 43.13 H new ATOM 0 HB VAL A 69 -5.630 -0.299 -8.996 1.00 31.02 H new ATOM 0 HG11 VAL A 69 -7.891 0.627 -8.709 1.00 52.54 H new ATOM 0 HG12 VAL A 69 -7.594 0.115 -10.387 1.00 52.54 H new ATOM 0 HG13 VAL A 69 -8.587 -0.896 -9.311 1.00 52.54 H new ATOM 0 HG21 VAL A 69 -6.781 -0.539 -6.835 1.00 54.23 H new ATOM 0 HG22 VAL A 69 -7.430 -2.111 -7.360 1.00 54.23 H new ATOM 0 HG23 VAL A 69 -5.676 -1.898 -7.150 1.00 54.23 H new ATOM 1076 N LEU A 70 -5.571 -1.044 -11.854 1.00 14.32 N ATOM 1077 CA LEU A 70 -5.710 -0.599 -13.236 1.00 41.34 C ATOM 1078 C LEU A 70 -5.543 -1.766 -14.203 1.00 62.10 C ATOM 1079 O LEU A 70 -6.232 -1.846 -15.220 1.00 44.35 O ATOM 1080 CB LEU A 70 -4.680 0.489 -13.548 1.00 70.45 C ATOM 1081 CG LEU A 70 -3.234 0.017 -13.707 1.00 45.45 C ATOM 1082 CD1 LEU A 70 -2.915 -0.242 -15.172 1.00 1.23 C ATOM 1083 CD2 LEU A 70 -2.271 1.041 -13.123 1.00 54.21 C ATOM 0 H LEU A 70 -4.719 -0.726 -11.392 1.00 14.32 H new ATOM 0 HA LEU A 70 -6.712 -0.189 -13.361 1.00 41.34 H new ATOM 0 HB2 LEU A 70 -4.980 0.993 -14.467 1.00 70.45 H new ATOM 0 HB3 LEU A 70 -4.713 1.232 -12.751 1.00 70.45 H new ATOM 0 HG LEU A 70 -3.115 -0.918 -13.159 1.00 45.45 H new ATOM 0 HD11 LEU A 70 -1.882 -0.577 -15.266 1.00 1.23 H new ATOM 0 HD12 LEU A 70 -3.583 -1.012 -15.559 1.00 1.23 H new ATOM 0 HD13 LEU A 70 -3.052 0.677 -15.742 1.00 1.23 H new ATOM 0 HD21 LEU A 70 -1.247 0.688 -13.245 1.00 54.21 H new ATOM 0 HD22 LEU A 70 -2.392 1.992 -13.642 1.00 54.21 H new ATOM 0 HD23 LEU A 70 -2.484 1.177 -12.063 1.00 54.21 H new ATOM 1095 N MET A 71 -4.625 -2.670 -13.878 1.00 62.31 N ATOM 1096 CA MET A 71 -4.370 -3.836 -14.717 1.00 3.33 C ATOM 1097 C MET A 71 -5.538 -4.814 -14.658 1.00 13.24 C ATOM 1098 O MET A 71 -5.731 -5.623 -15.565 1.00 13.10 O ATOM 1099 CB MET A 71 -3.081 -4.535 -14.278 1.00 71.01 C ATOM 1100 CG MET A 71 -3.295 -5.577 -13.192 1.00 53.35 C ATOM 1101 SD MET A 71 -1.765 -6.404 -12.713 1.00 55.04 S ATOM 1102 CE MET A 71 -2.309 -8.109 -12.649 1.00 60.32 C ATOM 0 H MET A 71 -4.045 -2.618 -13.040 1.00 62.31 H new ATOM 0 HA MET A 71 -4.257 -3.494 -15.746 1.00 3.33 H new ATOM 0 HB2 MET A 71 -2.624 -5.013 -15.144 1.00 71.01 H new ATOM 0 HB3 MET A 71 -2.376 -3.786 -13.918 1.00 71.01 H new ATOM 0 HG2 MET A 71 -3.735 -5.099 -12.317 1.00 53.35 H new ATOM 0 HG3 MET A 71 -4.011 -6.320 -13.543 1.00 53.35 H new ATOM 0 HE1 MET A 71 -1.472 -8.747 -12.365 1.00 60.32 H new ATOM 0 HE2 MET A 71 -3.107 -8.209 -11.914 1.00 60.32 H new ATOM 0 HE3 MET A 71 -2.679 -8.410 -13.629 1.00 60.32 H new ATOM 1112 N LYS A 72 -6.315 -4.736 -13.583 1.00 14.24 N ATOM 1113 CA LYS A 72 -7.466 -5.613 -13.404 1.00 34.14 C ATOM 1114 C LYS A 72 -8.512 -5.367 -14.486 1.00 72.45 C ATOM 1115 O LYS A 72 -9.241 -6.278 -14.879 1.00 14.00 O ATOM 1116 CB LYS A 72 -8.088 -5.400 -12.022 1.00 71.32 C ATOM 1117 CG LYS A 72 -9.254 -6.328 -11.730 1.00 15.51 C ATOM 1118 CD LYS A 72 -8.826 -7.509 -10.876 1.00 22.34 C ATOM 1119 CE LYS A 72 -8.278 -8.643 -11.730 1.00 64.11 C ATOM 1120 NZ LYS A 72 -8.235 -9.930 -10.981 1.00 73.22 N ATOM 0 H LYS A 72 -6.168 -4.073 -12.822 1.00 14.24 H new ATOM 0 HA LYS A 72 -7.120 -6.643 -13.485 1.00 34.14 H new ATOM 0 HB2 LYS A 72 -7.321 -5.544 -11.261 1.00 71.32 H new ATOM 0 HB3 LYS A 72 -8.427 -4.367 -11.941 1.00 71.32 H new ATOM 0 HG2 LYS A 72 -10.042 -5.774 -11.219 1.00 15.51 H new ATOM 0 HG3 LYS A 72 -9.676 -6.690 -12.668 1.00 15.51 H new ATOM 0 HD2 LYS A 72 -8.066 -7.188 -10.164 1.00 22.34 H new ATOM 0 HD3 LYS A 72 -9.676 -7.867 -10.295 1.00 22.34 H new ATOM 0 HE2 LYS A 72 -8.898 -8.761 -12.619 1.00 64.11 H new ATOM 0 HE3 LYS A 72 -7.275 -8.388 -12.072 1.00 64.11 H new ATOM 0 HZ1 LYS A 72 -7.856 -10.678 -11.597 1.00 73.22 H new ATOM 0 HZ2 LYS A 72 -7.623 -9.826 -10.146 1.00 73.22 H new ATOM 0 HZ3 LYS A 72 -9.196 -10.187 -10.676 1.00 73.22 H new ATOM 1134 N LEU A 73 -8.578 -4.130 -14.967 1.00 72.44 N ATOM 1135 CA LEU A 73 -9.535 -3.763 -16.007 1.00 64.25 C ATOM 1136 C LEU A 73 -8.994 -4.109 -17.390 1.00 41.12 C ATOM 1137 O LEU A 73 -9.708 -4.662 -18.228 1.00 52.11 O ATOM 1138 CB LEU A 73 -9.852 -2.269 -15.931 1.00 12.20 C ATOM 1139 CG LEU A 73 -9.827 -1.647 -14.533 1.00 20.23 C ATOM 1140 CD1 LEU A 73 -9.987 -0.138 -14.618 1.00 1.32 C ATOM 1141 CD2 LEU A 73 -10.917 -2.253 -13.660 1.00 73.12 C ATOM 0 H LEU A 73 -7.981 -3.364 -14.654 1.00 72.44 H new ATOM 0 HA LEU A 73 -10.450 -4.332 -15.842 1.00 64.25 H new ATOM 0 HB2 LEU A 73 -9.138 -1.734 -16.557 1.00 12.20 H new ATOM 0 HB3 LEU A 73 -10.840 -2.105 -16.362 1.00 12.20 H new ATOM 0 HG LEU A 73 -8.861 -1.864 -14.076 1.00 20.23 H new ATOM 0 HD11 LEU A 73 -9.967 0.287 -13.615 1.00 1.32 H new ATOM 0 HD12 LEU A 73 -9.171 0.282 -15.206 1.00 1.32 H new ATOM 0 HD13 LEU A 73 -10.938 0.101 -15.094 1.00 1.32 H new ATOM 0 HD21 LEU A 73 -10.884 -1.799 -12.670 1.00 73.12 H new ATOM 0 HD22 LEU A 73 -11.891 -2.067 -14.113 1.00 73.12 H new ATOM 0 HD23 LEU A 73 -10.757 -3.328 -13.572 1.00 73.12 H new ATOM 1153 N LEU A 74 -7.727 -3.783 -17.624 1.00 15.55 N ATOM 1154 CA LEU A 74 -7.088 -4.061 -18.906 1.00 15.35 C ATOM 1155 C LEU A 74 -6.877 -5.560 -19.094 1.00 34.01 C ATOM 1156 O LEU A 74 -6.774 -6.044 -20.220 1.00 61.44 O ATOM 1157 CB LEU A 74 -5.749 -3.330 -18.999 1.00 61.35 C ATOM 1158 CG LEU A 74 -5.802 -1.809 -18.848 1.00 70.54 C ATOM 1159 CD1 LEU A 74 -4.760 -1.335 -17.849 1.00 3.54 C ATOM 1160 CD2 LEU A 74 -5.597 -1.132 -20.196 1.00 31.43 C ATOM 0 H LEU A 74 -7.122 -3.326 -16.942 1.00 15.55 H new ATOM 0 HA LEU A 74 -7.746 -3.703 -19.698 1.00 15.35 H new ATOM 0 HB2 LEU A 74 -5.086 -3.728 -18.231 1.00 61.35 H new ATOM 0 HB3 LEU A 74 -5.296 -3.564 -19.963 1.00 61.35 H new ATOM 0 HG LEU A 74 -6.788 -1.535 -18.471 1.00 70.54 H new ATOM 0 HD11 LEU A 74 -4.813 -0.250 -17.755 1.00 3.54 H new ATOM 0 HD12 LEU A 74 -4.951 -1.793 -16.879 1.00 3.54 H new ATOM 0 HD13 LEU A 74 -3.767 -1.621 -18.196 1.00 3.54 H new ATOM 0 HD21 LEU A 74 -5.638 -0.050 -20.070 1.00 31.43 H new ATOM 0 HD22 LEU A 74 -4.625 -1.414 -20.601 1.00 31.43 H new ATOM 0 HD23 LEU A 74 -6.381 -1.447 -20.884 1.00 31.43 H new ATOM 1172 N GLU A 75 -6.817 -6.289 -17.984 1.00 42.04 N ATOM 1173 CA GLU A 75 -6.618 -7.732 -18.028 1.00 32.24 C ATOM 1174 C GLU A 75 -7.840 -8.431 -18.620 1.00 3.02 C ATOM 1175 O GLU A 75 -7.720 -9.232 -19.546 1.00 61.32 O ATOM 1176 CB GLU A 75 -6.338 -8.275 -16.625 1.00 42.43 C ATOM 1177 CG GLU A 75 -4.862 -8.299 -16.266 1.00 44.14 C ATOM 1178 CD GLU A 75 -4.150 -9.524 -16.807 1.00 41.52 C ATOM 1179 OE1 GLU A 75 -4.671 -10.141 -17.759 1.00 54.30 O ATOM 1180 OE2 GLU A 75 -3.072 -9.866 -16.277 1.00 70.21 O ATOM 0 H GLU A 75 -6.903 -5.904 -17.044 1.00 42.04 H new ATOM 0 HA GLU A 75 -5.758 -7.935 -18.666 1.00 32.24 H new ATOM 0 HB2 GLU A 75 -6.871 -7.665 -15.895 1.00 42.43 H new ATOM 0 HB3 GLU A 75 -6.738 -9.286 -16.549 1.00 42.43 H new ATOM 0 HG2 GLU A 75 -4.382 -7.402 -16.657 1.00 44.14 H new ATOM 0 HG3 GLU A 75 -4.755 -8.270 -15.182 1.00 44.14 H new ATOM 1188 N GLU A 76 -9.013 -8.121 -18.078 1.00 54.43 N ATOM 1189 CA GLU A 76 -10.255 -8.719 -18.552 1.00 1.55 C ATOM 1190 C GLU A 76 -10.706 -8.074 -19.859 1.00 11.01 C ATOM 1191 O GLU A 76 -11.186 -8.754 -20.765 1.00 62.25 O ATOM 1192 CB GLU A 76 -11.352 -8.576 -17.494 1.00 53.34 C ATOM 1193 CG GLU A 76 -10.969 -9.145 -16.138 1.00 73.03 C ATOM 1194 CD GLU A 76 -10.790 -10.650 -16.167 1.00 72.44 C ATOM 1195 OE1 GLU A 76 -11.625 -11.334 -16.796 1.00 4.23 O ATOM 1196 OE2 GLU A 76 -9.815 -11.144 -15.563 1.00 52.13 O ATOM 0 H GLU A 76 -9.129 -7.459 -17.310 1.00 54.43 H new ATOM 0 HA GLU A 76 -10.072 -9.778 -18.734 1.00 1.55 H new ATOM 0 HB2 GLU A 76 -11.599 -7.520 -17.379 1.00 53.34 H new ATOM 0 HB3 GLU A 76 -12.253 -9.077 -17.847 1.00 53.34 H new ATOM 0 HG2 GLU A 76 -10.043 -8.679 -15.801 1.00 73.03 H new ATOM 0 HG3 GLU A 76 -11.738 -8.888 -15.410 1.00 73.03 H new ATOM 1204 N ALA A 77 -10.549 -6.757 -19.947 1.00 3.03 N ATOM 1205 CA ALA A 77 -10.938 -6.020 -21.143 1.00 34.53 C ATOM 1206 C ALA A 77 -9.945 -6.251 -22.278 1.00 1.31 C ATOM 1207 O ALA A 77 -10.225 -5.936 -23.433 1.00 35.24 O ATOM 1208 CB ALA A 77 -11.053 -4.535 -20.833 1.00 41.13 C ATOM 0 H ALA A 77 -10.155 -6.179 -19.205 1.00 3.03 H new ATOM 0 HA ALA A 77 -11.911 -6.389 -21.467 1.00 34.53 H new ATOM 0 HB1 ALA A 77 -11.344 -3.997 -21.735 1.00 41.13 H new ATOM 0 HB2 ALA A 77 -11.806 -4.382 -20.060 1.00 41.13 H new ATOM 0 HB3 ALA A 77 -10.091 -4.161 -20.482 1.00 41.13 H new ATOM 1214 N GLY A 78 -8.783 -6.801 -21.938 1.00 53.31 N ATOM 1215 CA GLY A 78 -7.766 -7.063 -22.939 1.00 70.51 C ATOM 1216 C GLY A 78 -6.836 -5.883 -23.143 1.00 24.43 C ATOM 1217 O GLY A 78 -5.821 -5.997 -23.829 1.00 51.12 O ATOM 0 H GLY A 78 -8.528 -7.070 -20.988 1.00 53.31 H new ATOM 0 HA2 GLY A 78 -7.183 -7.934 -22.641 1.00 70.51 H new ATOM 0 HA3 GLY A 78 -8.247 -7.310 -23.885 1.00 70.51 H new ATOM 1221 N GLY A 79 -7.183 -4.748 -22.546 1.00 52.33 N ATOM 1222 CA GLY A 79 -6.362 -3.559 -22.679 1.00 43.15 C ATOM 1223 C GLY A 79 -7.037 -2.475 -23.494 1.00 14.23 C ATOM 1224 O GLY A 79 -6.442 -1.920 -24.417 1.00 32.21 O ATOM 0 H GLY A 79 -8.018 -4.630 -21.972 1.00 52.33 H new ATOM 0 HA2 GLY A 79 -6.128 -3.171 -21.688 1.00 43.15 H new ATOM 0 HA3 GLY A 79 -5.415 -3.826 -23.149 1.00 43.15 H new ATOM 1228 N ASN A 80 -8.287 -2.174 -23.154 1.00 51.12 N ATOM 1229 CA ASN A 80 -9.047 -1.150 -23.864 1.00 3.52 C ATOM 1230 C ASN A 80 -9.262 0.077 -22.981 1.00 30.20 C ATOM 1231 O ASN A 80 -10.123 0.077 -22.102 1.00 4.32 O ATOM 1232 CB ASN A 80 -10.396 -1.709 -24.317 1.00 13.35 C ATOM 1233 CG ASN A 80 -10.669 -1.442 -25.784 1.00 10.21 C ATOM 1234 OD1 ASN A 80 -10.778 -0.168 -26.143 1.00 4.31 O flip ATOM 1235 ND2 ASN A 80 -10.781 -2.370 -26.586 1.00 61.04 N flip ATOM 0 H ASN A 80 -8.795 -2.624 -22.392 1.00 51.12 H new ATOM 0 HA ASN A 80 -8.474 -0.849 -24.741 1.00 3.52 H new ATOM 0 HB2 ASN A 80 -10.420 -2.783 -24.135 1.00 13.35 H new ATOM 0 HB3 ASN A 80 -11.190 -1.266 -23.716 1.00 13.35 H new ATOM 0 HD21 ASN A 80 -10.690 -3.334 -26.266 1.00 61.04 H new ATOM 0 HD22 ASN A 80 -10.965 -2.174 -27.570 1.00 61.04 H new ATOM 1242 N TRP A 81 -8.474 1.118 -23.223 1.00 73.51 N ATOM 1243 CA TRP A 81 -8.579 2.351 -22.452 1.00 4.34 C ATOM 1244 C TRP A 81 -9.841 3.121 -22.824 1.00 14.54 C ATOM 1245 O TRP A 81 -10.397 3.854 -22.006 1.00 5.30 O ATOM 1246 CB TRP A 81 -7.347 3.227 -22.681 1.00 42.42 C ATOM 1247 CG TRP A 81 -6.084 2.629 -22.137 1.00 53.43 C ATOM 1248 CD1 TRP A 81 -5.223 1.795 -22.793 1.00 10.53 C ATOM 1249 CD2 TRP A 81 -5.541 2.819 -20.825 1.00 74.20 C ATOM 1250 NE1 TRP A 81 -4.179 1.455 -21.967 1.00 33.31 N ATOM 1251 CE2 TRP A 81 -4.350 2.070 -20.755 1.00 75.54 C ATOM 1252 CE3 TRP A 81 -5.944 3.549 -19.705 1.00 14.34 C ATOM 1253 CZ2 TRP A 81 -3.562 2.032 -19.609 1.00 1.13 C ATOM 1254 CZ3 TRP A 81 -5.162 3.510 -18.567 1.00 50.42 C ATOM 1255 CH2 TRP A 81 -3.981 2.757 -18.526 1.00 4.01 C ATOM 0 H TRP A 81 -7.755 1.133 -23.947 1.00 73.51 H new ATOM 0 HA TRP A 81 -8.636 2.085 -21.396 1.00 4.34 H new ATOM 0 HB2 TRP A 81 -7.227 3.401 -23.750 1.00 42.42 H new ATOM 0 HB3 TRP A 81 -7.510 4.199 -22.216 1.00 42.42 H new ATOM 0 HD1 TRP A 81 -5.345 1.454 -23.810 1.00 10.53 H new ATOM 0 HE1 TRP A 81 -3.402 0.843 -22.216 1.00 33.31 H new ATOM 0 HE3 TRP A 81 -6.852 4.134 -19.728 1.00 14.34 H new ATOM 0 HZ2 TRP A 81 -2.652 1.451 -19.575 1.00 1.13 H new ATOM 0 HZ3 TRP A 81 -5.466 4.069 -17.694 1.00 50.42 H new ATOM 0 HH2 TRP A 81 -3.390 2.748 -17.622 1.00 4.01 H new ATOM 1266 N SER A 82 -10.289 2.950 -24.063 1.00 30.25 N ATOM 1267 CA SER A 82 -11.486 3.632 -24.545 1.00 62.24 C ATOM 1268 C SER A 82 -12.672 3.362 -23.625 1.00 60.42 C ATOM 1269 O SER A 82 -13.426 4.273 -23.283 1.00 33.12 O ATOM 1270 CB SER A 82 -11.816 3.182 -25.969 1.00 30.41 C ATOM 1271 OG SER A 82 -13.199 3.329 -26.243 1.00 44.40 O ATOM 0 H SER A 82 -9.842 2.345 -24.752 1.00 30.25 H new ATOM 0 HA SER A 82 -11.288 4.704 -24.548 1.00 62.24 H new ATOM 0 HB2 SER A 82 -11.236 3.768 -26.682 1.00 30.41 H new ATOM 0 HB3 SER A 82 -11.525 2.140 -26.101 1.00 30.41 H new ATOM 0 HG SER A 82 -13.384 3.036 -27.160 1.00 44.40 H new ATOM 1277 N TYR A 83 -12.832 2.104 -23.231 1.00 1.34 N ATOM 1278 CA TYR A 83 -13.928 1.712 -22.352 1.00 32.24 C ATOM 1279 C TYR A 83 -13.543 1.890 -20.887 1.00 74.12 C ATOM 1280 O TYR A 83 -14.342 2.362 -20.078 1.00 1.43 O ATOM 1281 CB TYR A 83 -14.323 0.257 -22.613 1.00 64.04 C ATOM 1282 CG TYR A 83 -15.053 -0.389 -21.459 1.00 3.54 C ATOM 1283 CD1 TYR A 83 -16.438 -0.331 -21.366 1.00 33.12 C ATOM 1284 CD2 TYR A 83 -14.358 -1.056 -20.457 1.00 24.14 C ATOM 1285 CE1 TYR A 83 -17.109 -0.920 -20.311 1.00 73.53 C ATOM 1286 CE2 TYR A 83 -15.021 -1.650 -19.400 1.00 60.24 C ATOM 1287 CZ TYR A 83 -16.396 -1.578 -19.331 1.00 52.25 C ATOM 1288 OH TYR A 83 -17.061 -2.166 -18.279 1.00 70.35 O ATOM 0 H TYR A 83 -12.217 1.338 -23.506 1.00 1.34 H new ATOM 0 HA TYR A 83 -14.780 2.358 -22.566 1.00 32.24 H new ATOM 0 HB2 TYR A 83 -14.954 0.215 -23.501 1.00 64.04 H new ATOM 0 HB3 TYR A 83 -13.425 -0.320 -22.833 1.00 64.04 H new ATOM 0 HD1 TYR A 83 -17.000 0.183 -22.131 1.00 33.12 H new ATOM 0 HD2 TYR A 83 -13.280 -1.111 -20.505 1.00 24.14 H new ATOM 0 HE1 TYR A 83 -18.186 -0.865 -20.254 1.00 73.53 H new ATOM 0 HE2 TYR A 83 -14.465 -2.168 -18.632 1.00 60.24 H new ATOM 0 HH TYR A 83 -16.413 -2.589 -17.678 1.00 70.35 H new ATOM 1298 N ILE A 84 -12.314 1.511 -20.554 1.00 33.54 N ATOM 1299 CA ILE A 84 -11.823 1.631 -19.187 1.00 62.25 C ATOM 1300 C ILE A 84 -11.818 3.085 -18.730 1.00 54.15 C ATOM 1301 O ILE A 84 -11.927 3.374 -17.538 1.00 10.32 O ATOM 1302 CB ILE A 84 -10.399 1.057 -19.049 1.00 1.34 C ATOM 1303 CG1 ILE A 84 -10.412 -0.457 -19.273 1.00 50.11 C ATOM 1304 CG2 ILE A 84 -9.825 1.391 -17.680 1.00 24.22 C ATOM 1305 CD1 ILE A 84 -9.038 -1.046 -19.498 1.00 4.31 C ATOM 0 H ILE A 84 -11.640 1.118 -21.212 1.00 33.54 H new ATOM 0 HA ILE A 84 -12.502 1.057 -18.556 1.00 62.25 H new ATOM 0 HB ILE A 84 -9.764 1.512 -19.809 1.00 1.34 H new ATOM 0 HG12 ILE A 84 -10.868 -0.940 -18.409 1.00 50.11 H new ATOM 0 HG13 ILE A 84 -11.041 -0.683 -20.134 1.00 50.11 H new ATOM 0 HG21 ILE A 84 -8.819 0.979 -17.597 1.00 24.22 H new ATOM 0 HG22 ILE A 84 -9.786 2.473 -17.556 1.00 24.22 H new ATOM 0 HG23 ILE A 84 -10.459 0.960 -16.905 1.00 24.22 H new ATOM 0 HD11 ILE A 84 -9.124 -2.122 -19.650 1.00 4.31 H new ATOM 0 HD12 ILE A 84 -8.587 -0.590 -20.379 1.00 4.31 H new ATOM 0 HD13 ILE A 84 -8.412 -0.851 -18.628 1.00 4.31 H new ATOM 1317 N LYS A 85 -11.694 4.000 -19.686 1.00 5.14 N ATOM 1318 CA LYS A 85 -11.679 5.426 -19.384 1.00 54.43 C ATOM 1319 C LYS A 85 -13.043 6.054 -19.655 1.00 24.10 C ATOM 1320 O LYS A 85 -13.224 7.263 -19.499 1.00 4.42 O ATOM 1321 CB LYS A 85 -10.606 6.134 -20.214 1.00 20.11 C ATOM 1322 CG LYS A 85 -11.136 6.745 -21.500 1.00 2.22 C ATOM 1323 CD LYS A 85 -10.060 6.814 -22.570 1.00 2.33 C ATOM 1324 CE LYS A 85 -8.762 7.386 -22.019 1.00 12.04 C ATOM 1325 NZ LYS A 85 -8.985 8.668 -21.294 1.00 3.21 N ATOM 0 H LYS A 85 -11.602 3.779 -20.677 1.00 5.14 H new ATOM 0 HA LYS A 85 -11.447 5.545 -18.326 1.00 54.43 H new ATOM 0 HB2 LYS A 85 -10.150 6.918 -19.610 1.00 20.11 H new ATOM 0 HB3 LYS A 85 -9.818 5.421 -20.458 1.00 20.11 H new ATOM 0 HG2 LYS A 85 -11.976 6.154 -21.865 1.00 2.22 H new ATOM 0 HG3 LYS A 85 -11.515 7.747 -21.299 1.00 2.22 H new ATOM 0 HD2 LYS A 85 -9.878 5.816 -22.970 1.00 2.33 H new ATOM 0 HD3 LYS A 85 -10.408 7.431 -23.398 1.00 2.33 H new ATOM 0 HE2 LYS A 85 -8.303 6.662 -21.345 1.00 12.04 H new ATOM 0 HE3 LYS A 85 -8.060 7.549 -22.837 1.00 12.04 H new ATOM 0 HZ1 LYS A 85 -8.206 9.324 -21.502 1.00 3.21 H new ATOM 0 HZ2 LYS A 85 -9.884 9.089 -21.603 1.00 3.21 H new ATOM 0 HZ3 LYS A 85 -9.021 8.486 -20.271 1.00 3.21 H new ATOM 1339 N LEU A 86 -14.000 5.227 -20.060 1.00 23.30 N ATOM 1340 CA LEU A 86 -15.348 5.701 -20.352 1.00 0.34 C ATOM 1341 C LEU A 86 -15.894 6.534 -19.196 1.00 31.51 C ATOM 1342 O LEU A 86 -16.699 7.443 -19.399 1.00 65.54 O ATOM 1343 CB LEU A 86 -16.278 4.517 -20.626 1.00 53.05 C ATOM 1344 CG LEU A 86 -17.632 4.859 -21.249 1.00 34.03 C ATOM 1345 CD1 LEU A 86 -18.166 3.679 -22.046 1.00 62.23 C ATOM 1346 CD2 LEU A 86 -18.625 5.269 -20.172 1.00 15.25 C ATOM 0 H LEU A 86 -13.868 4.225 -20.194 1.00 23.30 H new ATOM 0 HA LEU A 86 -15.301 6.331 -21.240 1.00 0.34 H new ATOM 0 HB2 LEU A 86 -15.762 3.820 -21.287 1.00 53.05 H new ATOM 0 HB3 LEU A 86 -16.454 3.994 -19.686 1.00 53.05 H new ATOM 0 HG LEU A 86 -17.496 5.699 -21.930 1.00 34.03 H new ATOM 0 HD11 LEU A 86 -19.130 3.941 -22.482 1.00 62.23 H new ATOM 0 HD12 LEU A 86 -17.464 3.430 -22.841 1.00 62.23 H new ATOM 0 HD13 LEU A 86 -18.287 2.820 -21.387 1.00 62.23 H new ATOM 0 HD21 LEU A 86 -19.583 5.509 -20.633 1.00 15.25 H new ATOM 0 HD22 LEU A 86 -18.757 4.448 -19.467 1.00 15.25 H new ATOM 0 HD23 LEU A 86 -18.247 6.144 -19.643 1.00 15.25 H new ATOM 1358 N ASP A 87 -15.450 6.217 -17.984 1.00 74.13 N ATOM 1359 CA ASP A 87 -15.892 6.938 -16.796 1.00 73.43 C ATOM 1360 C ASP A 87 -14.701 7.512 -16.035 1.00 71.15 C ATOM 1361 O ASP A 87 -14.755 7.687 -14.819 1.00 3.14 O ATOM 1362 CB ASP A 87 -16.699 6.014 -15.884 1.00 3.22 C ATOM 1363 CG ASP A 87 -17.790 5.271 -16.630 1.00 45.02 C ATOM 1364 OD1 ASP A 87 -18.898 5.829 -16.770 1.00 72.14 O ATOM 1365 OD2 ASP A 87 -17.535 4.132 -17.074 1.00 41.44 O ATOM 0 H ASP A 87 -14.785 5.466 -17.799 1.00 74.13 H new ATOM 0 HA ASP A 87 -16.527 7.764 -17.117 1.00 73.43 H new ATOM 0 HB2 ASP A 87 -16.028 5.294 -15.416 1.00 3.22 H new ATOM 0 HB3 ASP A 87 -17.146 6.601 -15.082 1.00 3.22 H new ATOM 1371 N ASN A 88 -13.626 7.803 -16.761 1.00 14.33 N ATOM 1372 CA ASN A 88 -12.421 8.357 -16.153 1.00 23.33 C ATOM 1373 C ASN A 88 -11.786 7.354 -15.195 1.00 3.34 C ATOM 1374 O ASN A 88 -11.328 7.719 -14.112 1.00 45.32 O ATOM 1375 CB ASN A 88 -12.748 9.652 -15.410 1.00 53.55 C ATOM 1376 CG ASN A 88 -11.594 10.637 -15.430 1.00 60.25 C ATOM 1377 OD1 ASN A 88 -11.713 11.739 -15.965 1.00 71.02 O ATOM 1378 ND2 ASN A 88 -10.470 10.242 -14.844 1.00 63.42 N ATOM 0 H ASN A 88 -13.565 7.665 -17.770 1.00 14.33 H new ATOM 0 HA ASN A 88 -11.709 8.574 -16.949 1.00 23.33 H new ATOM 0 HB2 ASN A 88 -13.625 10.115 -15.861 1.00 53.55 H new ATOM 0 HB3 ASN A 88 -13.006 9.420 -14.377 1.00 53.55 H new ATOM 0 HD21 ASN A 88 -9.660 10.861 -14.825 1.00 63.42 H new ATOM 0 HD22 ASN A 88 -10.417 9.319 -14.413 1.00 63.42 H new ATOM 1385 N TYR A 89 -11.763 6.089 -15.599 1.00 32.31 N ATOM 1386 CA TYR A 89 -11.186 5.033 -14.776 1.00 72.14 C ATOM 1387 C TYR A 89 -11.964 4.871 -13.473 1.00 73.35 C ATOM 1388 O TYR A 89 -11.383 4.631 -12.415 1.00 11.35 O ATOM 1389 CB TYR A 89 -9.719 5.339 -14.472 1.00 21.53 C ATOM 1390 CG TYR A 89 -8.899 5.654 -15.702 1.00 62.44 C ATOM 1391 CD1 TYR A 89 -9.167 5.037 -16.917 1.00 71.45 C ATOM 1392 CD2 TYR A 89 -7.855 6.570 -15.650 1.00 14.24 C ATOM 1393 CE1 TYR A 89 -8.420 5.322 -18.044 1.00 61.51 C ATOM 1394 CE2 TYR A 89 -7.104 6.862 -16.771 1.00 42.33 C ATOM 1395 CZ TYR A 89 -7.390 6.236 -17.966 1.00 21.21 C ATOM 1396 OH TYR A 89 -6.644 6.523 -19.087 1.00 4.35 O ATOM 0 H TYR A 89 -12.138 5.770 -16.492 1.00 32.31 H new ATOM 0 HA TYR A 89 -11.248 4.098 -15.333 1.00 72.14 H new ATOM 0 HB2 TYR A 89 -9.668 6.184 -13.785 1.00 21.53 H new ATOM 0 HB3 TYR A 89 -9.277 4.484 -13.960 1.00 21.53 H new ATOM 0 HD1 TYR A 89 -9.974 4.322 -16.982 1.00 71.45 H new ATOM 0 HD2 TYR A 89 -7.627 7.062 -14.716 1.00 14.24 H new ATOM 0 HE1 TYR A 89 -8.641 4.832 -18.981 1.00 61.51 H new ATOM 0 HE2 TYR A 89 -6.297 7.577 -16.712 1.00 42.33 H new ATOM 0 HH TYR A 89 -6.107 5.741 -19.332 1.00 4.35 H new ATOM 1406 N THR A 90 -13.284 5.006 -13.560 1.00 43.31 N ATOM 1407 CA THR A 90 -14.143 4.876 -12.389 1.00 75.02 C ATOM 1408 C THR A 90 -13.868 3.573 -11.647 1.00 74.33 C ATOM 1409 O THR A 90 -13.977 3.511 -10.423 1.00 22.32 O ATOM 1410 CB THR A 90 -15.633 4.928 -12.778 1.00 61.11 C ATOM 1411 OG1 THR A 90 -16.009 6.272 -13.098 1.00 31.25 O ATOM 1412 CG2 THR A 90 -16.506 4.408 -11.646 1.00 64.11 C ATOM 0 H THR A 90 -13.781 5.205 -14.428 1.00 43.31 H new ATOM 0 HA THR A 90 -13.916 5.718 -11.735 1.00 75.02 H new ATOM 0 HB THR A 90 -15.780 4.292 -13.651 1.00 61.11 H new ATOM 0 HG1 THR A 90 -15.233 6.753 -13.453 1.00 31.25 H new ATOM 0 HG21 THR A 90 -17.554 4.454 -11.944 1.00 64.11 H new ATOM 0 HG22 THR A 90 -16.237 3.375 -11.424 1.00 64.11 H new ATOM 0 HG23 THR A 90 -16.354 5.021 -10.758 1.00 64.11 H new ATOM 1420 N ALA A 91 -13.511 2.535 -12.396 1.00 14.00 N ATOM 1421 CA ALA A 91 -13.218 1.234 -11.807 1.00 33.33 C ATOM 1422 C ALA A 91 -12.208 1.361 -10.671 1.00 33.45 C ATOM 1423 O ALA A 91 -12.285 0.637 -9.677 1.00 63.04 O ATOM 1424 CB ALA A 91 -12.700 0.278 -12.872 1.00 52.22 C ATOM 0 H ALA A 91 -13.418 2.570 -13.411 1.00 14.00 H new ATOM 0 HA ALA A 91 -14.143 0.833 -11.393 1.00 33.33 H new ATOM 0 HB1 ALA A 91 -12.485 -0.690 -12.419 1.00 52.22 H new ATOM 0 HB2 ALA A 91 -13.455 0.155 -13.649 1.00 52.22 H new ATOM 0 HB3 ALA A 91 -11.789 0.683 -13.312 1.00 52.22 H new ATOM 1430 N LEU A 92 -11.264 2.281 -10.825 1.00 42.42 N ATOM 1431 CA LEU A 92 -10.238 2.502 -9.811 1.00 21.41 C ATOM 1432 C LEU A 92 -10.844 3.096 -8.544 1.00 53.24 C ATOM 1433 O LEU A 92 -10.396 2.807 -7.435 1.00 24.12 O ATOM 1434 CB LEU A 92 -9.149 3.430 -10.353 1.00 73.50 C ATOM 1435 CG LEU A 92 -9.438 4.929 -10.262 1.00 51.12 C ATOM 1436 CD1 LEU A 92 -8.938 5.489 -8.939 1.00 63.31 C ATOM 1437 CD2 LEU A 92 -8.802 5.666 -11.431 1.00 12.50 C ATOM 0 H LEU A 92 -11.187 2.887 -11.642 1.00 42.42 H new ATOM 0 HA LEU A 92 -9.794 1.538 -9.562 1.00 21.41 H new ATOM 0 HB2 LEU A 92 -8.224 3.225 -9.814 1.00 73.50 H new ATOM 0 HB3 LEU A 92 -8.972 3.177 -11.398 1.00 73.50 H new ATOM 0 HG LEU A 92 -10.517 5.076 -10.310 1.00 51.12 H new ATOM 0 HD11 LEU A 92 -9.152 6.557 -8.892 1.00 63.31 H new ATOM 0 HD12 LEU A 92 -9.441 4.981 -8.116 1.00 63.31 H new ATOM 0 HD13 LEU A 92 -7.862 5.331 -8.860 1.00 63.31 H new ATOM 0 HD21 LEU A 92 -9.018 6.731 -11.350 1.00 12.50 H new ATOM 0 HD22 LEU A 92 -7.723 5.512 -11.415 1.00 12.50 H new ATOM 0 HD23 LEU A 92 -9.209 5.283 -12.367 1.00 12.50 H new ATOM 1449 N VAL A 93 -11.867 3.927 -8.716 1.00 20.12 N ATOM 1450 CA VAL A 93 -12.537 4.559 -7.586 1.00 32.02 C ATOM 1451 C VAL A 93 -13.214 3.521 -6.697 1.00 63.44 C ATOM 1452 O VAL A 93 -13.038 3.525 -5.479 1.00 11.43 O ATOM 1453 CB VAL A 93 -13.590 5.580 -8.057 1.00 32.52 C ATOM 1454 CG1 VAL A 93 -14.505 5.972 -6.907 1.00 52.32 C ATOM 1455 CG2 VAL A 93 -12.915 6.804 -8.654 1.00 74.31 C ATOM 0 H VAL A 93 -12.250 4.178 -9.627 1.00 20.12 H new ATOM 0 HA VAL A 93 -11.769 5.078 -7.013 1.00 32.02 H new ATOM 0 HB VAL A 93 -14.200 5.116 -8.832 1.00 32.52 H new ATOM 0 HG11 VAL A 93 -15.242 6.694 -7.258 1.00 52.32 H new ATOM 0 HG12 VAL A 93 -15.016 5.086 -6.530 1.00 52.32 H new ATOM 0 HG13 VAL A 93 -13.914 6.418 -6.107 1.00 52.32 H new ATOM 0 HG21 VAL A 93 -13.674 7.515 -8.981 1.00 74.31 H new ATOM 0 HG22 VAL A 93 -12.280 7.272 -7.902 1.00 74.31 H new ATOM 0 HG23 VAL A 93 -12.307 6.504 -9.507 1.00 74.31 H new ATOM 1465 N ASP A 94 -13.984 2.634 -7.315 1.00 32.13 N ATOM 1466 CA ASP A 94 -14.686 1.587 -6.580 1.00 71.12 C ATOM 1467 C ASP A 94 -13.721 0.491 -6.141 1.00 22.12 C ATOM 1468 O ASP A 94 -13.927 -0.157 -5.116 1.00 45.52 O ATOM 1469 CB ASP A 94 -15.799 0.989 -7.441 1.00 12.22 C ATOM 1470 CG ASP A 94 -16.869 0.308 -6.611 1.00 32.34 C ATOM 1471 OD1 ASP A 94 -16.857 -0.940 -6.535 1.00 55.22 O ATOM 1472 OD2 ASP A 94 -17.719 1.020 -6.038 1.00 12.41 O ATOM 0 H ASP A 94 -14.139 2.618 -8.323 1.00 32.13 H new ATOM 0 HA ASP A 94 -15.127 2.035 -5.690 1.00 71.12 H new ATOM 0 HB2 ASP A 94 -16.255 1.777 -8.040 1.00 12.22 H new ATOM 0 HB3 ASP A 94 -15.369 0.268 -8.137 1.00 12.22 H new ATOM 1478 N ALA A 95 -12.667 0.288 -6.925 1.00 43.51 N ATOM 1479 CA ALA A 95 -11.670 -0.729 -6.617 1.00 2.31 C ATOM 1480 C ALA A 95 -10.811 -0.313 -5.427 1.00 54.33 C ATOM 1481 O ALA A 95 -10.736 -1.023 -4.425 1.00 23.33 O ATOM 1482 CB ALA A 95 -10.796 -0.997 -7.833 1.00 61.11 C ATOM 0 H ALA A 95 -12.482 0.815 -7.778 1.00 43.51 H new ATOM 0 HA ALA A 95 -12.194 -1.647 -6.351 1.00 2.31 H new ATOM 0 HB1 ALA A 95 -10.056 -1.759 -7.588 1.00 61.11 H new ATOM 0 HB2 ALA A 95 -11.417 -1.346 -8.658 1.00 61.11 H new ATOM 0 HB3 ALA A 95 -10.288 -0.078 -8.126 1.00 61.11 H new ATOM 1488 N ILE A 96 -10.164 0.842 -5.545 1.00 71.01 N ATOM 1489 CA ILE A 96 -9.311 1.352 -4.478 1.00 74.52 C ATOM 1490 C ILE A 96 -10.098 1.535 -3.186 1.00 43.11 C ATOM 1491 O ILE A 96 -9.595 1.257 -2.096 1.00 54.33 O ATOM 1492 CB ILE A 96 -8.666 2.696 -4.868 1.00 23.32 C ATOM 1493 CG1 ILE A 96 -7.755 2.515 -6.084 1.00 74.34 C ATOM 1494 CG2 ILE A 96 -7.885 3.268 -3.695 1.00 4.12 C ATOM 1495 CD1 ILE A 96 -6.562 1.624 -5.819 1.00 12.11 C ATOM 0 H ILE A 96 -10.214 1.442 -6.368 1.00 71.01 H new ATOM 0 HA ILE A 96 -8.526 0.613 -4.320 1.00 74.52 H new ATOM 0 HB ILE A 96 -9.456 3.399 -5.131 1.00 23.32 H new ATOM 0 HG12 ILE A 96 -8.337 2.095 -6.904 1.00 74.34 H new ATOM 0 HG13 ILE A 96 -7.402 3.493 -6.412 1.00 74.34 H new ATOM 0 HG21 ILE A 96 -7.435 4.217 -3.986 1.00 4.12 H new ATOM 0 HG22 ILE A 96 -8.558 3.428 -2.853 1.00 4.12 H new ATOM 0 HG23 ILE A 96 -7.101 2.569 -3.404 1.00 4.12 H new ATOM 0 HD11 ILE A 96 -5.961 1.541 -6.725 1.00 12.11 H new ATOM 0 HD12 ILE A 96 -5.957 2.054 -5.020 1.00 12.11 H new ATOM 0 HD13 ILE A 96 -6.907 0.634 -5.520 1.00 12.11 H new ATOM 1507 N TYR A 97 -11.336 2.002 -3.312 1.00 63.55 N ATOM 1508 CA TYR A 97 -12.192 2.222 -2.155 1.00 2.53 C ATOM 1509 C TYR A 97 -12.426 0.920 -1.394 1.00 4.21 C ATOM 1510 O TYR A 97 -12.560 0.919 -0.170 1.00 20.14 O ATOM 1511 CB TYR A 97 -13.532 2.818 -2.589 1.00 75.54 C ATOM 1512 CG TYR A 97 -13.544 4.330 -2.611 1.00 10.42 C ATOM 1513 CD1 TYR A 97 -12.455 5.046 -3.090 1.00 72.25 C ATOM 1514 CD2 TYR A 97 -14.643 5.042 -2.148 1.00 15.22 C ATOM 1515 CE1 TYR A 97 -12.461 6.427 -3.111 1.00 55.44 C ATOM 1516 CE2 TYR A 97 -14.660 6.423 -2.166 1.00 42.24 C ATOM 1517 CZ TYR A 97 -13.565 7.111 -2.647 1.00 75.22 C ATOM 1518 OH TYR A 97 -13.577 8.488 -2.666 1.00 24.13 O ATOM 0 H TYR A 97 -11.768 2.235 -4.206 1.00 63.55 H new ATOM 0 HA TYR A 97 -11.687 2.925 -1.492 1.00 2.53 H new ATOM 0 HB2 TYR A 97 -13.780 2.447 -3.583 1.00 75.54 H new ATOM 0 HB3 TYR A 97 -14.312 2.467 -1.914 1.00 75.54 H new ATOM 0 HD1 TYR A 97 -11.588 4.514 -3.453 1.00 72.25 H new ATOM 0 HD2 TYR A 97 -15.500 4.506 -1.767 1.00 15.22 H new ATOM 0 HE1 TYR A 97 -11.606 6.968 -3.489 1.00 55.44 H new ATOM 0 HE2 TYR A 97 -15.525 6.961 -1.806 1.00 42.24 H new ATOM 0 HH TYR A 97 -14.429 8.813 -2.306 1.00 24.13 H new ATOM 1528 N SER A 98 -12.471 -0.187 -2.128 1.00 72.21 N ATOM 1529 CA SER A 98 -12.691 -1.496 -1.526 1.00 3.52 C ATOM 1530 C SER A 98 -11.421 -2.001 -0.847 1.00 13.03 C ATOM 1531 O SER A 98 -11.428 -2.337 0.339 1.00 72.53 O ATOM 1532 CB SER A 98 -13.149 -2.499 -2.585 1.00 72.10 C ATOM 1533 OG SER A 98 -13.405 -3.768 -2.010 1.00 30.20 O ATOM 0 H SER A 98 -12.358 -0.203 -3.142 1.00 72.21 H new ATOM 0 HA SER A 98 -13.471 -1.395 -0.772 1.00 3.52 H new ATOM 0 HB2 SER A 98 -14.050 -2.130 -3.074 1.00 72.10 H new ATOM 0 HB3 SER A 98 -12.384 -2.593 -3.356 1.00 72.10 H new ATOM 0 HG SER A 98 -13.698 -4.390 -2.708 1.00 30.20 H new ATOM 1539 N VAL A 99 -10.332 -2.054 -1.607 1.00 53.24 N ATOM 1540 CA VAL A 99 -9.053 -2.517 -1.080 1.00 73.13 C ATOM 1541 C VAL A 99 -8.584 -1.639 0.075 1.00 65.23 C ATOM 1542 O VAL A 99 -8.286 -2.133 1.161 1.00 21.40 O ATOM 1543 CB VAL A 99 -7.969 -2.532 -2.173 1.00 21.40 C ATOM 1544 CG1 VAL A 99 -6.686 -3.157 -1.645 1.00 14.13 C ATOM 1545 CG2 VAL A 99 -8.465 -3.274 -3.405 1.00 64.21 C ATOM 0 H VAL A 99 -10.309 -1.782 -2.590 1.00 53.24 H new ATOM 0 HA VAL A 99 -9.208 -3.534 -0.719 1.00 73.13 H new ATOM 0 HB VAL A 99 -7.752 -1.503 -2.459 1.00 21.40 H new ATOM 0 HG11 VAL A 99 -5.932 -3.159 -2.432 1.00 14.13 H new ATOM 0 HG12 VAL A 99 -6.323 -2.579 -0.795 1.00 14.13 H new ATOM 0 HG13 VAL A 99 -6.883 -4.181 -1.329 1.00 14.13 H new ATOM 0 HG21 VAL A 99 -7.686 -3.275 -4.167 1.00 64.21 H new ATOM 0 HG22 VAL A 99 -8.711 -4.301 -3.136 1.00 64.21 H new ATOM 0 HG23 VAL A 99 -9.354 -2.778 -3.795 1.00 64.21 H new ATOM 1555 N GLU A 100 -8.521 -0.334 -0.170 1.00 53.31 N ATOM 1556 CA GLU A 100 -8.088 0.613 0.851 1.00 42.33 C ATOM 1557 C GLU A 100 -8.856 0.400 2.152 1.00 44.44 C ATOM 1558 O GLU A 100 -8.327 0.627 3.241 1.00 21.43 O ATOM 1559 CB GLU A 100 -8.281 2.050 0.360 1.00 11.35 C ATOM 1560 CG GLU A 100 -9.710 2.550 0.493 1.00 72.42 C ATOM 1561 CD GLU A 100 -9.899 3.936 -0.094 1.00 40.52 C ATOM 1562 OE1 GLU A 100 -10.999 4.504 0.072 1.00 72.43 O ATOM 1563 OE2 GLU A 100 -8.948 4.452 -0.716 1.00 55.31 O ATOM 0 H GLU A 100 -8.764 0.091 -1.065 1.00 53.31 H new ATOM 0 HA GLU A 100 -7.029 0.442 1.043 1.00 42.33 H new ATOM 0 HB2 GLU A 100 -7.620 2.709 0.922 1.00 11.35 H new ATOM 0 HB3 GLU A 100 -7.979 2.112 -0.685 1.00 11.35 H new ATOM 0 HG2 GLU A 100 -10.383 1.853 -0.006 1.00 72.42 H new ATOM 0 HG3 GLU A 100 -9.990 2.564 1.546 1.00 72.42 H new