USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 106 THR OG1 : rot -12:sc= 0.133 USER MOD Set 1.2: A 109 SER OG : rot 168:sc= 1.39 USER MOD Set 2.1: A 74 ASN : amide:sc=-0.00109 K(o=-0.0011,f=-0.95) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 54 SER OG : rot -107:sc= 0.529 USER MOD Set 3.2: A 67 ASN : amide:sc= -2.82! C(o=-2.3!,f=-6.5!) USER MOD Set 3.3: A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= -2.14 (180deg=-2.14) USER MOD Single : A 42 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.414 K(o=0.41,f=-2.3) USER MOD Single : A 50 ASN : amide:sc= -0.0542 K(o=-0.054,f=-1.3) USER MOD Single : A 51 MET CE :methyl -126:sc= -0.634 (180deg=-3.91!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -150:sc= -0.113 USER MOD Single : A 59 CYS SG : rot 134:sc= -1.78 USER MOD Single : A 65 TYR OH : rot 180:sc= 0.415 USER MOD Single : A 70 THR OG1 : rot 170:sc= -0.289 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -23:sc= 0.882 USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= 1.13 (180deg=1) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0.362 K(o=0.36,f=-0.93) USER MOD Single : A 98 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.048) USER MOD Single : A 100 GLN : amide:sc= -0.429 K(o=-0.43,f=-5.6!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= 1.29 K(o=1.3,f=-4.1!) USER MOD Single : A 108 TYR OH : rot 25:sc= 1.32 USER MOD Single : A 113 THR OG1 : rot -43:sc= 1.12 USER MOD Single : A 115 SER OG : rot 6:sc= -2.5! USER MOD Single : A 118 TYR OH : rot 180:sc= -0.733 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 11.758 6.304 -2.591 1.00 0.00 N ATOM 439 CA ASP A 32 11.063 5.801 -1.424 1.00 0.00 C ATOM 440 C ASP A 32 9.720 5.274 -1.888 1.00 0.00 C ATOM 441 O ASP A 32 9.035 5.937 -2.673 1.00 0.00 O ATOM 442 CB ASP A 32 10.833 6.902 -0.378 1.00 0.00 C ATOM 443 CG ASP A 32 12.102 7.604 0.057 1.00 0.00 C ATOM 444 OD1 ASP A 32 12.617 8.439 -0.718 1.00 0.00 O ATOM 445 OD2 ASP A 32 12.574 7.346 1.185 1.00 0.00 O ATOM 0 HA ASP A 32 11.667 5.023 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.142 7.640 -0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.352 6.465 0.497 1.00 0.00 H new ATOM 450 N MET A 33 9.332 4.097 -1.427 1.00 0.00 N ATOM 451 CA MET A 33 8.035 3.545 -1.796 1.00 0.00 C ATOM 452 C MET A 33 6.926 4.451 -1.277 1.00 0.00 C ATOM 453 O MET A 33 5.787 4.380 -1.721 1.00 0.00 O ATOM 454 CB MET A 33 7.871 2.125 -1.256 1.00 0.00 C ATOM 455 CG MET A 33 6.672 1.389 -1.835 1.00 0.00 C ATOM 456 SD MET A 33 6.666 1.365 -3.637 1.00 0.00 S ATOM 457 CE MET A 33 8.269 0.646 -3.961 1.00 0.00 C ATOM 0 H MET A 33 9.887 3.510 -0.804 1.00 0.00 H new ATOM 0 HA MET A 33 7.972 3.494 -2.883 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.775 1.556 -1.472 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.772 2.167 -0.171 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.667 0.364 -1.463 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.756 1.861 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.420 0.563 -5.037 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.045 1.281 -3.534 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.321 -0.345 -3.510 1.00 0.00 H new ATOM 467 N ARG A 34 7.292 5.322 -0.342 1.00 0.00 N ATOM 468 CA ARG A 34 6.387 6.333 0.186 1.00 0.00 C ATOM 469 C ARG A 34 5.923 7.277 -0.928 1.00 0.00 C ATOM 470 O ARG A 34 4.785 7.744 -0.929 1.00 0.00 O ATOM 471 CB ARG A 34 7.085 7.147 1.281 1.00 0.00 C ATOM 472 CG ARG A 34 7.606 6.314 2.445 1.00 0.00 C ATOM 473 CD ARG A 34 8.395 7.173 3.423 1.00 0.00 C ATOM 474 NE ARG A 34 8.934 6.394 4.538 1.00 0.00 N ATOM 475 CZ ARG A 34 10.232 6.330 4.842 1.00 0.00 C ATOM 476 NH1 ARG A 34 11.125 6.935 4.067 1.00 0.00 N ATOM 477 NH2 ARG A 34 10.632 5.651 5.908 1.00 0.00 N ATOM 0 H ARG A 34 8.225 5.346 0.070 1.00 0.00 H new ATOM 0 HA ARG A 34 5.519 5.825 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.919 7.691 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.387 7.891 1.665 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.770 5.843 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.240 5.512 2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.214 7.662 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.751 7.962 3.812 1.00 0.00 H new ATOM 0 HE ARG A 34 8.279 5.869 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.819 7.448 3.240 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.117 6.887 4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.947 5.177 6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.624 5.603 6.139 1.00 0.00 H new ATOM 491 N LEU A 35 6.810 7.537 -1.884 1.00 0.00 N ATOM 492 CA LEU A 35 6.528 8.477 -2.967 1.00 0.00 C ATOM 493 C LEU A 35 5.648 7.823 -4.010 1.00 0.00 C ATOM 494 O LEU A 35 4.658 8.404 -4.457 1.00 0.00 O ATOM 495 CB LEU A 35 7.827 8.933 -3.617 1.00 0.00 C ATOM 496 CG LEU A 35 8.971 9.129 -2.637 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.277 9.367 -3.379 1.00 0.00 C ATOM 498 CD2 LEU A 35 8.680 10.280 -1.685 1.00 0.00 C ATOM 0 H LEU A 35 7.734 7.108 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 35 6.011 9.341 -2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.125 8.198 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.648 9.870 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 35 9.070 8.218 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.084 9.505 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.498 8.507 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.186 10.259 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.514 10.400 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.547 11.199 -2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.771 10.066 -1.123 1.00 0.00 H new ATOM 510 N GLU A 36 6.016 6.606 -4.393 1.00 0.00 N ATOM 511 CA GLU A 36 5.208 5.830 -5.317 1.00 0.00 C ATOM 512 C GLU A 36 3.852 5.548 -4.684 1.00 0.00 C ATOM 513 O GLU A 36 2.848 5.393 -5.378 1.00 0.00 O ATOM 514 CB GLU A 36 5.912 4.519 -5.701 1.00 0.00 C ATOM 515 CG GLU A 36 7.292 4.724 -6.313 1.00 0.00 C ATOM 516 CD GLU A 36 7.787 3.515 -7.092 1.00 0.00 C ATOM 517 OE1 GLU A 36 8.443 2.635 -6.500 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.530 3.449 -8.315 1.00 0.00 O ATOM 0 H GLU A 36 6.866 6.139 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 36 5.066 6.405 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.007 3.894 -4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.287 3.975 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.264 5.589 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.004 4.954 -5.520 1.00 0.00 H new ATOM 525 N ALA A 37 3.829 5.537 -3.353 1.00 0.00 N ATOM 526 CA ALA A 37 2.585 5.332 -2.620 1.00 0.00 C ATOM 527 C ALA A 37 1.729 6.589 -2.668 1.00 0.00 C ATOM 528 O ALA A 37 0.536 6.525 -2.962 1.00 0.00 O ATOM 529 CB ALA A 37 2.861 4.931 -1.179 1.00 0.00 C ATOM 0 H ALA A 37 4.652 5.667 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 37 2.039 4.519 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.917 4.784 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.433 4.003 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.432 5.718 -0.685 1.00 0.00 H new ATOM 535 N GLU A 38 2.348 7.733 -2.385 1.00 0.00 N ATOM 536 CA GLU A 38 1.662 9.019 -2.448 1.00 0.00 C ATOM 537 C GLU A 38 1.118 9.266 -3.853 1.00 0.00 C ATOM 538 O GLU A 38 0.015 9.789 -4.021 1.00 0.00 O ATOM 539 CB GLU A 38 2.608 10.153 -2.045 1.00 0.00 C ATOM 540 CG GLU A 38 1.964 11.529 -2.102 1.00 0.00 C ATOM 541 CD GLU A 38 2.905 12.646 -1.701 1.00 0.00 C ATOM 542 OE1 GLU A 38 3.732 13.068 -2.536 1.00 0.00 O ATOM 543 OE2 GLU A 38 2.803 13.129 -0.555 1.00 0.00 O ATOM 0 H GLU A 38 3.328 7.794 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 38 0.827 8.995 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.970 9.971 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.478 10.140 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.603 11.712 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.094 11.543 -1.446 1.00 0.00 H new ATOM 550 N ALA A 39 1.897 8.868 -4.854 1.00 0.00 N ATOM 551 CA ALA A 39 1.491 9.001 -6.247 1.00 0.00 C ATOM 552 C ALA A 39 0.203 8.232 -6.506 1.00 0.00 C ATOM 553 O ALA A 39 -0.716 8.742 -7.144 1.00 0.00 O ATOM 554 CB ALA A 39 2.597 8.513 -7.171 1.00 0.00 C ATOM 0 H ALA A 39 2.818 8.449 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 39 1.308 10.056 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.278 8.619 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.497 9.105 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.809 7.464 -6.962 1.00 0.00 H new ATOM 560 N VAL A 40 0.144 7.009 -5.995 1.00 0.00 N ATOM 561 CA VAL A 40 -1.043 6.173 -6.127 1.00 0.00 C ATOM 562 C VAL A 40 -2.231 6.778 -5.382 1.00 0.00 C ATOM 563 O VAL A 40 -3.310 6.942 -5.950 1.00 0.00 O ATOM 564 CB VAL A 40 -0.783 4.743 -5.601 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.077 3.946 -5.524 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.228 4.027 -6.484 1.00 0.00 C ATOM 0 H VAL A 40 0.909 6.571 -5.482 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.280 6.122 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.373 4.823 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.865 2.944 -5.151 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.772 4.445 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.522 3.877 -6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.399 3.022 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.157 3.965 -7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.167 4.580 -6.484 1.00 0.00 H new ATOM 576 N VAL A 41 -2.013 7.121 -4.117 1.00 0.00 N ATOM 577 CA VAL A 41 -3.071 7.654 -3.265 1.00 0.00 C ATOM 578 C VAL A 41 -3.727 8.888 -3.886 1.00 0.00 C ATOM 579 O VAL A 41 -4.947 9.011 -3.898 1.00 0.00 O ATOM 580 CB VAL A 41 -2.530 8.011 -1.863 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.597 8.691 -1.019 1.00 0.00 C ATOM 582 CG2 VAL A 41 -2.014 6.769 -1.156 1.00 0.00 C ATOM 0 H VAL A 41 -1.107 7.039 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.823 6.871 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.703 8.709 -1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.187 8.930 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.920 9.608 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.450 8.022 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.637 7.042 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.825 6.048 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.209 6.325 -1.742 1.00 0.00 H new ATOM 592 N ASN A 42 -2.913 9.785 -4.430 1.00 0.00 N ATOM 593 CA ASN A 42 -3.430 11.035 -4.986 1.00 0.00 C ATOM 594 C ASN A 42 -3.971 10.848 -6.399 1.00 0.00 C ATOM 595 O ASN A 42 -4.509 11.783 -6.990 1.00 0.00 O ATOM 596 CB ASN A 42 -2.351 12.124 -4.989 1.00 0.00 C ATOM 597 CG ASN A 42 -2.093 12.693 -3.607 1.00 0.00 C ATOM 598 OD1 ASN A 42 -2.710 13.679 -3.200 1.00 0.00 O ATOM 599 ND2 ASN A 42 -1.176 12.086 -2.876 1.00 0.00 N ATOM 0 H ASN A 42 -1.901 9.675 -4.499 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.253 11.348 -4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.424 11.711 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.654 12.929 -5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.958 12.431 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.685 11.272 -3.246 1.00 0.00 H new ATOM 606 N ASP A 43 -3.833 9.648 -6.943 1.00 0.00 N ATOM 607 CA ASP A 43 -4.296 9.380 -8.299 1.00 0.00 C ATOM 608 C ASP A 43 -5.633 8.651 -8.287 1.00 0.00 C ATOM 609 O ASP A 43 -6.594 9.095 -8.913 1.00 0.00 O ATOM 610 CB ASP A 43 -3.264 8.564 -9.080 1.00 0.00 C ATOM 611 CG ASP A 43 -3.673 8.346 -10.524 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.593 9.308 -11.321 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.066 7.216 -10.872 1.00 0.00 O ATOM 0 H ASP A 43 -3.408 8.849 -6.472 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.429 10.341 -8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.302 9.076 -9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.126 7.598 -8.594 1.00 0.00 H new ATOM 618 N VAL A 44 -5.702 7.548 -7.549 1.00 0.00 N ATOM 619 CA VAL A 44 -6.896 6.706 -7.546 1.00 0.00 C ATOM 620 C VAL A 44 -7.847 7.069 -6.407 1.00 0.00 C ATOM 621 O VAL A 44 -8.836 6.373 -6.168 1.00 0.00 O ATOM 622 CB VAL A 44 -6.533 5.207 -7.456 1.00 0.00 C ATOM 623 CG1 VAL A 44 -5.710 4.780 -8.661 1.00 0.00 C ATOM 624 CG2 VAL A 44 -5.785 4.899 -6.167 1.00 0.00 C ATOM 0 H VAL A 44 -4.949 7.216 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.403 6.891 -8.493 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.463 4.639 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.465 3.721 -8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.284 4.949 -9.572 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.790 5.363 -8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.543 3.837 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.865 5.482 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.411 5.157 -5.313 1.00 0.00 H new ATOM 634 N LEU A 45 -7.557 8.175 -5.723 1.00 0.00 N ATOM 635 CA LEU A 45 -8.396 8.654 -4.623 1.00 0.00 C ATOM 636 C LEU A 45 -9.831 8.895 -5.087 1.00 0.00 C ATOM 637 O LEU A 45 -10.781 8.721 -4.326 1.00 0.00 O ATOM 638 CB LEU A 45 -7.818 9.952 -4.047 1.00 0.00 C ATOM 639 CG LEU A 45 -8.616 10.578 -2.899 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.647 9.652 -1.694 1.00 0.00 C ATOM 641 CD2 LEU A 45 -8.028 11.928 -2.521 1.00 0.00 C ATOM 0 H LEU A 45 -6.743 8.760 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.408 7.885 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.805 9.754 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.739 10.683 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.642 10.728 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.219 10.118 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.115 8.708 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.629 9.465 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.606 12.361 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.993 11.798 -2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.063 12.594 -3.383 1.00 0.00 H new ATOM 653 N PHE A 46 -9.979 9.263 -6.354 1.00 0.00 N ATOM 654 CA PHE A 46 -11.280 9.621 -6.913 1.00 0.00 C ATOM 655 C PHE A 46 -12.175 8.391 -7.090 1.00 0.00 C ATOM 656 O PHE A 46 -13.367 8.515 -7.367 1.00 0.00 O ATOM 657 CB PHE A 46 -11.083 10.338 -8.256 1.00 0.00 C ATOM 658 CG PHE A 46 -12.351 10.888 -8.854 1.00 0.00 C ATOM 659 CD1 PHE A 46 -12.971 11.996 -8.301 1.00 0.00 C ATOM 660 CD2 PHE A 46 -12.916 10.297 -9.973 1.00 0.00 C ATOM 661 CE1 PHE A 46 -14.130 12.509 -8.854 1.00 0.00 C ATOM 662 CE2 PHE A 46 -14.076 10.802 -10.529 1.00 0.00 C ATOM 663 CZ PHE A 46 -14.684 11.909 -9.969 1.00 0.00 C ATOM 0 H PHE A 46 -9.208 9.322 -7.019 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.781 10.290 -6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.375 11.155 -8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.633 9.642 -8.964 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.544 12.465 -7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -12.444 9.432 -10.416 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.601 13.376 -8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -14.507 10.332 -11.401 1.00 0.00 H new ATOM 0 HZ PHE A 46 -15.591 12.305 -10.402 1.00 0.00 H new ATOM 673 N ALA A 47 -11.607 7.206 -6.914 1.00 0.00 N ATOM 674 CA ALA A 47 -12.353 5.974 -7.129 1.00 0.00 C ATOM 675 C ALA A 47 -12.938 5.425 -5.829 1.00 0.00 C ATOM 676 O ALA A 47 -13.817 4.564 -5.856 1.00 0.00 O ATOM 677 CB ALA A 47 -11.465 4.932 -7.790 1.00 0.00 C ATOM 0 H ALA A 47 -10.638 7.072 -6.625 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.188 6.207 -7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.034 4.015 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.115 5.309 -8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.609 4.723 -7.148 1.00 0.00 H new ATOM 683 N VAL A 48 -12.462 5.924 -4.691 1.00 0.00 N ATOM 684 CA VAL A 48 -12.905 5.416 -3.395 1.00 0.00 C ATOM 685 C VAL A 48 -13.390 6.547 -2.492 1.00 0.00 C ATOM 686 O VAL A 48 -13.534 7.686 -2.939 1.00 0.00 O ATOM 687 CB VAL A 48 -11.784 4.625 -2.683 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.404 3.393 -3.489 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.564 5.501 -2.440 1.00 0.00 C ATOM 0 H VAL A 48 -11.774 6.675 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.738 4.740 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.165 4.302 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.614 2.849 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.275 2.748 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.050 3.697 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.792 4.918 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.182 5.865 -3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.843 6.348 -1.814 1.00 0.00 H new ATOM 699 N ASN A 49 -13.650 6.227 -1.229 1.00 0.00 N ATOM 700 CA ASN A 49 -14.122 7.225 -0.271 1.00 0.00 C ATOM 701 C ASN A 49 -12.950 8.009 0.287 1.00 0.00 C ATOM 702 O ASN A 49 -12.886 9.232 0.167 1.00 0.00 O ATOM 703 CB ASN A 49 -14.877 6.577 0.897 1.00 0.00 C ATOM 704 CG ASN A 49 -16.091 5.777 0.472 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.675 6.014 -0.584 1.00 0.00 O ATOM 706 ND2 ASN A 49 -16.490 4.838 1.314 1.00 0.00 N ATOM 0 H ASN A 49 -13.543 5.289 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.803 7.888 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.195 5.923 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -15.192 7.356 1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.313 4.276 1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.974 4.676 2.179 1.00 0.00 H new ATOM 713 N ASN A 50 -12.020 7.288 0.894 1.00 0.00 N ATOM 714 CA ASN A 50 -10.870 7.897 1.542 1.00 0.00 C ATOM 715 C ASN A 50 -9.648 7.020 1.333 1.00 0.00 C ATOM 716 O ASN A 50 -9.764 5.799 1.259 1.00 0.00 O ATOM 717 CB ASN A 50 -11.143 8.076 3.042 1.00 0.00 C ATOM 718 CG ASN A 50 -10.000 8.742 3.786 1.00 0.00 C ATOM 719 OD1 ASN A 50 -9.268 9.563 3.230 1.00 0.00 O ATOM 720 ND2 ASN A 50 -9.837 8.394 5.053 1.00 0.00 N ATOM 0 H ASN A 50 -12.041 6.270 0.951 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.687 8.878 1.103 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.047 8.671 3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.338 7.100 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.085 8.809 5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.463 7.711 5.479 1.00 0.00 H new ATOM 727 N MET A 51 -8.483 7.635 1.228 1.00 0.00 N ATOM 728 CA MET A 51 -7.252 6.891 1.018 1.00 0.00 C ATOM 729 C MET A 51 -6.078 7.657 1.607 1.00 0.00 C ATOM 730 O MET A 51 -5.976 8.872 1.434 1.00 0.00 O ATOM 731 CB MET A 51 -7.031 6.637 -0.474 1.00 0.00 C ATOM 732 CG MET A 51 -6.035 5.532 -0.756 1.00 0.00 C ATOM 733 SD MET A 51 -5.804 5.245 -2.515 1.00 0.00 S ATOM 734 CE MET A 51 -4.957 3.673 -2.462 1.00 0.00 C ATOM 0 H MET A 51 -8.363 8.646 1.285 1.00 0.00 H new ATOM 0 HA MET A 51 -7.331 5.927 1.521 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.985 6.383 -0.937 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.684 7.557 -0.944 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.077 5.787 -0.304 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.375 4.611 -0.283 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.025 3.743 -3.023 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.739 3.412 -1.426 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.590 2.904 -2.904 1.00 0.00 H new ATOM 744 N PHE A 52 -5.205 6.949 2.313 1.00 0.00 N ATOM 745 CA PHE A 52 -4.067 7.572 2.971 1.00 0.00 C ATOM 746 C PHE A 52 -2.913 6.581 3.091 1.00 0.00 C ATOM 747 O PHE A 52 -3.114 5.418 3.444 1.00 0.00 O ATOM 748 CB PHE A 52 -4.489 8.080 4.355 1.00 0.00 C ATOM 749 CG PHE A 52 -3.414 8.824 5.098 1.00 0.00 C ATOM 750 CD1 PHE A 52 -2.997 10.075 4.673 1.00 0.00 C ATOM 751 CD2 PHE A 52 -2.827 8.274 6.228 1.00 0.00 C ATOM 752 CE1 PHE A 52 -2.017 10.765 5.362 1.00 0.00 C ATOM 753 CE2 PHE A 52 -1.846 8.959 6.918 1.00 0.00 C ATOM 754 CZ PHE A 52 -1.439 10.205 6.486 1.00 0.00 C ATOM 0 H PHE A 52 -5.265 5.939 2.444 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.726 8.417 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.354 8.734 4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.809 7.231 4.958 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.443 10.516 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.140 7.299 6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.703 11.741 5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.397 8.519 7.796 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.671 10.741 7.024 1.00 0.00 H new ATOM 764 N VAL A 53 -1.710 7.037 2.771 1.00 0.00 N ATOM 765 CA VAL A 53 -0.524 6.207 2.927 1.00 0.00 C ATOM 766 C VAL A 53 -0.145 6.136 4.404 1.00 0.00 C ATOM 767 O VAL A 53 -0.001 7.161 5.072 1.00 0.00 O ATOM 768 CB VAL A 53 0.662 6.730 2.079 1.00 0.00 C ATOM 769 CG1 VAL A 53 0.969 8.186 2.397 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.899 5.860 2.282 1.00 0.00 C ATOM 0 H VAL A 53 -1.530 7.971 2.404 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.756 5.206 2.563 1.00 0.00 H new ATOM 0 HB VAL A 53 0.371 6.672 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.806 8.523 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.093 8.798 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.228 8.281 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.719 6.246 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.186 5.875 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.677 4.836 1.981 1.00 0.00 H new ATOM 780 N SER A 54 -0.012 4.926 4.911 1.00 0.00 N ATOM 781 CA SER A 54 0.170 4.709 6.333 1.00 0.00 C ATOM 782 C SER A 54 1.581 5.080 6.789 1.00 0.00 C ATOM 783 O SER A 54 2.580 4.559 6.286 1.00 0.00 O ATOM 784 CB SER A 54 -0.137 3.256 6.663 1.00 0.00 C ATOM 785 OG SER A 54 -1.362 2.856 6.076 1.00 0.00 O ATOM 0 H SER A 54 -0.027 4.072 4.354 1.00 0.00 H new ATOM 0 HA SER A 54 -0.519 5.360 6.871 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.670 2.618 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.187 3.126 7.744 1.00 0.00 H new ATOM 0 HG SER A 54 -2.045 2.766 6.773 1.00 0.00 H new ATOM 791 N LYS A 55 1.644 5.984 7.758 1.00 0.00 N ATOM 792 CA LYS A 55 2.908 6.448 8.318 1.00 0.00 C ATOM 793 C LYS A 55 3.203 5.726 9.629 1.00 0.00 C ATOM 794 O LYS A 55 4.083 6.125 10.392 1.00 0.00 O ATOM 795 CB LYS A 55 2.843 7.958 8.570 1.00 0.00 C ATOM 796 CG LYS A 55 1.655 8.365 9.431 1.00 0.00 C ATOM 797 CD LYS A 55 1.754 9.808 9.901 1.00 0.00 C ATOM 798 CE LYS A 55 0.552 10.188 10.751 1.00 0.00 C ATOM 799 NZ LYS A 55 0.707 11.526 11.375 1.00 0.00 N ATOM 0 H LYS A 55 0.821 6.416 8.178 1.00 0.00 H new ATOM 0 HA LYS A 55 3.705 6.232 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.764 8.280 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.788 8.479 7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.734 8.232 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.593 7.706 10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.669 9.945 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.818 10.471 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.346 10.179 10.133 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.409 9.440 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.136 11.743 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.548 11.529 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.817 12.245 10.632 1.00 0.00 H new ATOM 813 N SER A 56 2.466 4.656 9.879 1.00 0.00 N ATOM 814 CA SER A 56 2.555 3.936 11.141 1.00 0.00 C ATOM 815 C SER A 56 3.114 2.538 10.917 1.00 0.00 C ATOM 816 O SER A 56 2.915 1.629 11.726 1.00 0.00 O ATOM 817 CB SER A 56 1.161 3.871 11.768 1.00 0.00 C ATOM 818 OG SER A 56 0.173 3.662 10.768 1.00 0.00 O ATOM 0 H SER A 56 1.794 4.264 9.219 1.00 0.00 H new ATOM 0 HA SER A 56 3.232 4.458 11.817 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.122 3.064 12.500 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.954 4.797 12.304 1.00 0.00 H new ATOM 0 HG SER A 56 -0.669 4.077 11.048 1.00 0.00 H new ATOM 824 N LEU A 57 3.826 2.378 9.814 1.00 0.00 N ATOM 825 CA LEU A 57 4.340 1.089 9.416 1.00 0.00 C ATOM 826 C LEU A 57 5.853 1.144 9.262 1.00 0.00 C ATOM 827 O LEU A 57 6.526 1.990 9.849 1.00 0.00 O ATOM 828 CB LEU A 57 3.704 0.651 8.094 1.00 0.00 C ATOM 829 CG LEU A 57 2.310 0.008 8.176 1.00 0.00 C ATOM 830 CD1 LEU A 57 2.323 -1.216 9.071 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.267 0.997 8.646 1.00 0.00 C ATOM 0 H LEU A 57 4.060 3.138 9.175 1.00 0.00 H new ATOM 0 HA LEU A 57 4.089 0.365 10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.638 1.523 7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.377 -0.057 7.611 1.00 0.00 H new ATOM 0 HG LEU A 57 2.042 -0.307 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.324 -1.649 9.110 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.022 -1.951 8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.633 -0.929 10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.295 0.506 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.535 1.365 9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.219 1.834 7.949 1.00 0.00 H new ATOM 843 N ARG A 58 6.358 0.241 8.445 1.00 0.00 N ATOM 844 CA ARG A 58 7.792 0.083 8.227 1.00 0.00 C ATOM 845 C ARG A 58 8.166 0.511 6.818 1.00 0.00 C ATOM 846 O ARG A 58 9.252 0.207 6.327 1.00 0.00 O ATOM 847 CB ARG A 58 8.178 -1.379 8.423 1.00 0.00 C ATOM 848 CG ARG A 58 7.388 -2.301 7.512 1.00 0.00 C ATOM 849 CD ARG A 58 7.910 -3.718 7.544 1.00 0.00 C ATOM 850 NE ARG A 58 7.843 -4.301 8.882 1.00 0.00 N ATOM 851 CZ ARG A 58 7.134 -5.385 9.191 1.00 0.00 C ATOM 852 NH1 ARG A 58 6.344 -5.958 8.292 1.00 0.00 N ATOM 853 NH2 ARG A 58 7.192 -5.875 10.419 1.00 0.00 N ATOM 0 H ARG A 58 5.786 -0.410 7.908 1.00 0.00 H new ATOM 0 HA ARG A 58 8.325 0.710 8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.243 -1.502 8.228 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.009 -1.663 9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.340 -2.295 7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.430 -1.923 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.332 -4.332 6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.943 -3.731 7.195 1.00 0.00 H new ATOM 0 HE ARG A 58 8.373 -3.849 9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.275 -5.568 7.352 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.806 -6.788 8.541 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.777 -5.423 11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.652 -6.705 10.663 1.00 0.00 H new ATOM 867 N CYS A 59 7.236 1.190 6.174 1.00 0.00 N ATOM 868 CA CYS A 59 7.422 1.674 4.815 1.00 0.00 C ATOM 869 C CYS A 59 8.689 2.496 4.706 1.00 0.00 C ATOM 870 O CYS A 59 8.931 3.391 5.515 1.00 0.00 O ATOM 871 CB CYS A 59 6.250 2.542 4.384 1.00 0.00 C ATOM 872 SG CYS A 59 4.643 1.989 5.001 1.00 0.00 S ATOM 0 H CYS A 59 6.328 1.423 6.577 1.00 0.00 H new ATOM 0 HA CYS A 59 7.491 0.800 4.167 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.425 3.562 4.725 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.217 2.571 3.295 1.00 0.00 H new ATOM 0 HG CYS A 59 3.983 3.008 5.467 1.00 0.00 H new ATOM 878 N ALA A 60 9.481 2.198 3.697 1.00 0.00 N ATOM 879 CA ALA A 60 10.738 2.897 3.497 1.00 0.00 C ATOM 880 C ALA A 60 11.135 2.916 2.035 1.00 0.00 C ATOM 881 O ALA A 60 11.053 3.940 1.358 1.00 0.00 O ATOM 882 CB ALA A 60 11.838 2.233 4.314 1.00 0.00 C ATOM 0 H ALA A 60 9.279 1.478 3.003 1.00 0.00 H new ATOM 0 HA ALA A 60 10.603 3.927 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.777 2.763 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.575 2.264 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.950 1.196 3.998 1.00 0.00 H new ATOM 888 N ASP A 61 11.512 1.754 1.548 1.00 0.00 N ATOM 889 CA ASP A 61 12.209 1.635 0.277 1.00 0.00 C ATOM 890 C ASP A 61 11.345 0.993 -0.796 1.00 0.00 C ATOM 891 O ASP A 61 10.936 1.651 -1.746 1.00 0.00 O ATOM 892 CB ASP A 61 13.519 0.849 0.454 1.00 0.00 C ATOM 893 CG ASP A 61 13.403 -0.351 1.390 1.00 0.00 C ATOM 894 OD1 ASP A 61 12.280 -0.860 1.607 1.00 0.00 O ATOM 895 OD2 ASP A 61 14.445 -0.784 1.928 1.00 0.00 O ATOM 0 H ASP A 61 11.346 0.864 2.018 1.00 0.00 H new ATOM 0 HA ASP A 61 12.441 2.646 -0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.858 0.503 -0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.286 1.523 0.837 1.00 0.00 H new ATOM 900 N ASP A 62 11.059 -0.288 -0.643 1.00 0.00 N ATOM 901 CA ASP A 62 10.314 -1.019 -1.666 1.00 0.00 C ATOM 902 C ASP A 62 8.983 -1.509 -1.116 1.00 0.00 C ATOM 903 O ASP A 62 8.177 -2.093 -1.830 1.00 0.00 O ATOM 904 CB ASP A 62 11.136 -2.197 -2.199 1.00 0.00 C ATOM 905 CG ASP A 62 10.585 -2.755 -3.503 1.00 0.00 C ATOM 906 OD1 ASP A 62 10.778 -2.110 -4.559 1.00 0.00 O ATOM 907 OD2 ASP A 62 9.984 -3.853 -3.484 1.00 0.00 O ATOM 0 H ASP A 62 11.326 -0.844 0.170 1.00 0.00 H new ATOM 0 HA ASP A 62 10.116 -0.336 -2.492 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.166 -1.876 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.157 -2.989 -1.450 1.00 0.00 H new ATOM 912 N VAL A 63 8.755 -1.253 0.161 1.00 0.00 N ATOM 913 CA VAL A 63 7.510 -1.646 0.795 1.00 0.00 C ATOM 914 C VAL A 63 6.802 -0.432 1.391 1.00 0.00 C ATOM 915 O VAL A 63 7.422 0.399 2.060 1.00 0.00 O ATOM 916 CB VAL A 63 7.743 -2.719 1.889 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.639 -2.188 3.000 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.417 -3.219 2.453 1.00 0.00 C ATOM 0 H VAL A 63 9.414 -0.776 0.777 1.00 0.00 H new ATOM 0 HA VAL A 63 6.874 -2.083 0.025 1.00 0.00 H new ATOM 0 HB VAL A 63 8.253 -3.562 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.784 -2.963 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.605 -1.902 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.171 -1.318 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.608 -3.971 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.871 -2.384 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.824 -3.659 1.652 1.00 0.00 H new ATOM 928 N ALA A 64 5.517 -0.311 1.103 1.00 0.00 N ATOM 929 CA ALA A 64 4.696 0.736 1.689 1.00 0.00 C ATOM 930 C ALA A 64 3.292 0.224 1.947 1.00 0.00 C ATOM 931 O ALA A 64 2.664 -0.362 1.068 1.00 0.00 O ATOM 932 CB ALA A 64 4.651 1.967 0.794 1.00 0.00 C ATOM 0 H ALA A 64 5.017 -0.929 0.463 1.00 0.00 H new ATOM 0 HA ALA A 64 5.148 1.024 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.030 2.732 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.661 2.354 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.230 1.697 -0.175 1.00 0.00 H new ATOM 938 N TYR A 65 2.809 0.436 3.155 1.00 0.00 N ATOM 939 CA TYR A 65 1.465 0.041 3.511 1.00 0.00 C ATOM 940 C TYR A 65 0.521 1.210 3.294 1.00 0.00 C ATOM 941 O TYR A 65 0.720 2.291 3.848 1.00 0.00 O ATOM 942 CB TYR A 65 1.416 -0.438 4.962 1.00 0.00 C ATOM 943 CG TYR A 65 2.359 -1.592 5.250 1.00 0.00 C ATOM 944 CD1 TYR A 65 3.725 -1.376 5.385 1.00 0.00 C ATOM 945 CD2 TYR A 65 1.888 -2.892 5.387 1.00 0.00 C ATOM 946 CE1 TYR A 65 4.592 -2.414 5.650 1.00 0.00 C ATOM 947 CE2 TYR A 65 2.752 -3.940 5.653 1.00 0.00 C ATOM 948 CZ TYR A 65 4.104 -3.695 5.782 1.00 0.00 C ATOM 949 OH TYR A 65 4.974 -4.730 6.051 1.00 0.00 O ATOM 0 H TYR A 65 3.332 0.882 3.909 1.00 0.00 H new ATOM 0 HA TYR A 65 1.152 -0.787 2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.662 0.395 5.620 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.397 -0.743 5.202 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.115 -0.374 5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.831 -3.088 5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.650 -2.224 5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.370 -4.945 5.759 1.00 0.00 H new ATOM 0 HH TYR A 65 4.473 -5.570 6.116 1.00 0.00 H new ATOM 959 N ILE A 66 -0.478 1.002 2.456 1.00 0.00 N ATOM 960 CA ILE A 66 -1.448 2.040 2.153 1.00 0.00 C ATOM 961 C ILE A 66 -2.817 1.647 2.686 1.00 0.00 C ATOM 962 O ILE A 66 -3.276 0.528 2.465 1.00 0.00 O ATOM 963 CB ILE A 66 -1.561 2.286 0.633 1.00 0.00 C ATOM 964 CG1 ILE A 66 -0.198 2.664 0.048 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.587 3.374 0.345 1.00 0.00 C ATOM 966 CD1 ILE A 66 -0.229 2.912 -1.446 1.00 0.00 C ATOM 0 H ILE A 66 -0.640 0.120 1.971 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.104 2.956 2.632 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.895 1.364 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.168 3.560 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.514 1.866 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.654 3.535 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.560 3.067 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.282 4.300 0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.771 3.175 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.564 2.010 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.916 3.730 -1.665 1.00 0.00 H new ATOM 978 N ASN A 67 -3.464 2.561 3.382 1.00 0.00 N ATOM 979 CA ASN A 67 -4.798 2.307 3.896 1.00 0.00 C ATOM 980 C ASN A 67 -5.833 2.979 3.010 1.00 0.00 C ATOM 981 O ASN A 67 -5.893 4.206 2.913 1.00 0.00 O ATOM 982 CB ASN A 67 -4.926 2.775 5.347 1.00 0.00 C ATOM 983 CG ASN A 67 -4.243 1.825 6.321 1.00 0.00 C ATOM 984 OD1 ASN A 67 -3.747 2.238 7.370 1.00 0.00 O ATOM 985 ND2 ASN A 67 -4.214 0.542 5.983 1.00 0.00 N ATOM 0 H ASN A 67 -3.090 3.484 3.605 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.977 1.232 3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.490 3.769 5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.981 2.862 5.607 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.771 -0.138 6.600 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.635 0.236 5.106 1.00 0.00 H new ATOM 992 N VAL A 68 -6.625 2.162 2.342 1.00 0.00 N ATOM 993 CA VAL A 68 -7.623 2.654 1.408 1.00 0.00 C ATOM 994 C VAL A 68 -9.011 2.183 1.817 1.00 0.00 C ATOM 995 O VAL A 68 -9.182 1.055 2.277 1.00 0.00 O ATOM 996 CB VAL A 68 -7.316 2.188 -0.037 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.251 0.670 -0.120 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.343 2.735 -1.023 1.00 0.00 C ATOM 0 H VAL A 68 -6.597 1.146 2.429 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.592 3.743 1.432 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.339 2.587 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.034 0.371 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.464 0.303 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.208 0.248 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.101 2.391 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.336 2.381 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.326 3.825 -0.999 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.988 3.056 1.665 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.366 2.707 1.949 1.00 0.00 C ATOM 1010 C GLU A 69 -12.179 2.761 0.668 1.00 0.00 C ATOM 1011 O GLU A 69 -12.412 3.838 0.110 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.980 3.641 2.991 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.353 3.179 3.450 1.00 0.00 C ATOM 1014 CD GLU A 69 -14.081 4.204 4.290 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.613 4.502 5.408 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -15.140 4.693 3.842 1.00 0.00 O ATOM 0 H GLU A 69 -9.852 4.015 1.345 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.381 1.696 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.315 3.706 3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.059 4.645 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.959 2.940 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.245 2.259 4.025 1.00 0.00 H new ATOM 1023 N THR A 70 -12.592 1.597 0.202 1.00 0.00 N ATOM 1024 CA THR A 70 -13.382 1.485 -1.012 1.00 0.00 C ATOM 1025 C THR A 70 -14.756 2.114 -0.826 1.00 0.00 C ATOM 1026 O THR A 70 -15.135 2.470 0.289 1.00 0.00 O ATOM 1027 CB THR A 70 -13.546 0.010 -1.416 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.153 -0.732 -0.348 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.198 -0.598 -1.760 1.00 0.00 C ATOM 0 H THR A 70 -12.390 0.704 0.652 1.00 0.00 H new ATOM 0 HA THR A 70 -12.853 2.018 -1.802 1.00 0.00 H new ATOM 0 HB THR A 70 -14.190 -0.037 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.400 -1.625 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.331 -1.642 -2.044 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.753 -0.050 -2.591 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.540 -0.539 -0.893 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.516 2.227 -1.908 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.845 2.822 -1.832 1.00 0.00 C ATOM 1039 C LYS A 71 -17.842 1.854 -1.199 1.00 0.00 C ATOM 1040 O LYS A 71 -19.022 2.162 -1.059 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.327 3.283 -3.210 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.579 4.504 -3.714 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.255 5.129 -4.921 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.595 6.445 -5.288 1.00 0.00 C ATOM 1045 NZ LYS A 71 -17.276 7.121 -6.422 1.00 0.00 N ATOM 0 H LYS A 71 -15.239 1.918 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.778 3.702 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.207 2.468 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.392 3.509 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.510 5.242 -2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.559 4.222 -3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.205 4.444 -5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.311 5.294 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.598 7.105 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.552 6.265 -5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.790 8.015 -6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.251 6.504 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.265 7.318 -6.166 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.354 0.685 -0.806 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.147 -0.253 -0.024 1.00 0.00 C ATOM 1061 C GLU A 72 -17.809 -0.076 1.454 1.00 0.00 C ATOM 1062 O GLU A 72 -18.261 -0.841 2.310 1.00 0.00 O ATOM 1063 CB GLU A 72 -17.874 -1.693 -0.469 1.00 0.00 C ATOM 1064 CG GLU A 72 -18.120 -1.927 -1.952 1.00 0.00 C ATOM 1065 CD GLU A 72 -18.054 -3.391 -2.339 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -16.939 -3.944 -2.423 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -19.123 -3.999 -2.561 1.00 0.00 O ATOM 0 H GLU A 72 -16.409 0.363 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.206 -0.051 -0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.840 -1.947 -0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.506 -2.369 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.099 -1.530 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.382 -1.370 -2.529 1.00 0.00 H new ATOM 1074 N ARG A 73 -16.989 0.948 1.723 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.547 1.306 3.072 1.00 0.00 C ATOM 1076 C ARG A 73 -15.642 0.237 3.657 1.00 0.00 C ATOM 1077 O ARG A 73 -15.475 0.149 4.870 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.728 1.560 4.010 1.00 0.00 C ATOM 1079 CG ARG A 73 -18.514 2.819 3.686 1.00 0.00 C ATOM 1080 CD ARG A 73 -19.559 3.098 4.756 1.00 0.00 C ATOM 1081 NE ARG A 73 -20.459 1.962 4.945 1.00 0.00 N ATOM 1082 CZ ARG A 73 -20.672 1.367 6.119 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -20.065 1.813 7.214 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -21.491 0.326 6.198 1.00 0.00 N ATOM 0 H ARG A 73 -16.610 1.558 0.998 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.981 2.233 2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.401 0.703 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.358 1.628 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.834 3.667 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -19.001 2.709 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -19.062 3.329 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.138 3.978 4.478 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.954 1.602 4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -19.434 2.613 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.230 1.356 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -21.958 -0.020 5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -21.653 -0.128 7.097 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.040 -0.557 2.788 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.110 -1.585 3.223 1.00 0.00 C ATOM 1100 C ASN A 74 -12.703 -1.016 3.271 1.00 0.00 C ATOM 1101 O ASN A 74 -12.204 -0.487 2.276 1.00 0.00 O ATOM 1102 CB ASN A 74 -14.154 -2.804 2.296 1.00 0.00 C ATOM 1103 CG ASN A 74 -15.475 -3.544 2.365 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -16.147 -3.541 3.396 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -15.851 -4.198 1.275 1.00 0.00 N ATOM 0 H ASN A 74 -15.178 -0.510 1.779 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.404 -1.912 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.976 -2.482 1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.346 -3.486 2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.725 -4.723 1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.266 -4.176 0.440 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.072 -1.117 4.430 1.00 0.00 N ATOM 1113 CA ARG A 75 -10.741 -0.567 4.624 1.00 0.00 C ATOM 1114 C ARG A 75 -9.703 -1.653 4.400 1.00 0.00 C ATOM 1115 O ARG A 75 -9.673 -2.649 5.117 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.569 0.008 6.039 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.525 1.141 6.399 1.00 0.00 C ATOM 1118 CD ARG A 75 -12.928 0.634 6.697 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.925 -0.433 7.700 1.00 0.00 N ATOM 1120 CZ ARG A 75 -13.903 -1.332 7.834 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -14.979 -1.269 7.059 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -13.808 -2.288 8.747 1.00 0.00 N ATOM 0 H ARG A 75 -12.462 -1.576 5.253 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.605 0.241 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.699 -0.799 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.546 0.369 6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.141 1.676 7.268 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.565 1.856 5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.545 1.461 7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.383 0.266 5.778 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.128 -0.493 8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.060 -0.532 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.724 -1.957 7.164 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.986 -2.338 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.557 -2.974 8.847 1.00 0.00 H new ATOM 1136 N TYR A 76 -8.866 -1.465 3.402 1.00 0.00 N ATOM 1137 CA TYR A 76 -7.846 -2.441 3.085 1.00 0.00 C ATOM 1138 C TYR A 76 -6.465 -1.885 3.369 1.00 0.00 C ATOM 1139 O TYR A 76 -6.147 -0.754 2.993 1.00 0.00 O ATOM 1140 CB TYR A 76 -7.934 -2.863 1.618 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.233 -3.546 1.255 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -9.435 -4.891 1.535 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.257 -2.843 0.635 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -10.622 -5.517 1.206 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.447 -3.460 0.304 1.00 0.00 C ATOM 1146 CZ TYR A 76 -11.626 -4.797 0.592 1.00 0.00 C ATOM 1147 OH TYR A 76 -12.812 -5.414 0.263 1.00 0.00 O ATOM 0 H TYR A 76 -8.872 -0.645 2.796 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.016 -3.314 3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.810 -1.982 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.106 -3.535 1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.652 -5.457 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.121 -1.796 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.763 -6.564 1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.234 -2.899 -0.178 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.411 -4.765 -0.161 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.662 -2.673 4.057 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.265 -2.355 4.251 1.00 0.00 C ATOM 1159 C CYS A 77 -3.474 -3.013 3.134 1.00 0.00 C ATOM 1160 O CYS A 77 -3.264 -4.227 3.143 1.00 0.00 O ATOM 1161 CB CYS A 77 -3.784 -2.845 5.621 1.00 0.00 C ATOM 1162 SG CYS A 77 -2.106 -2.328 6.057 1.00 0.00 S ATOM 0 H CYS A 77 -5.959 -3.546 4.494 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.119 -1.275 4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.472 -2.482 6.384 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.832 -3.934 5.640 1.00 0.00 H new ATOM 0 HG CYS A 77 -1.800 -2.793 7.232 1.00 0.00 H new ATOM 1168 N LEU A 78 -3.087 -2.228 2.147 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.444 -2.767 0.966 1.00 0.00 C ATOM 1170 C LEU A 78 -0.933 -2.713 1.090 1.00 0.00 C ATOM 1171 O LEU A 78 -0.363 -1.706 1.514 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.897 -2.016 -0.288 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.398 -2.086 -0.578 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.729 -1.336 -1.856 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.860 -3.534 -0.672 1.00 0.00 C ATOM 0 H LEU A 78 -3.207 -1.215 2.140 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.742 -3.812 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.610 -0.969 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.357 -2.415 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.929 -1.611 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.801 -1.397 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.438 -0.291 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.187 -1.781 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.930 -3.562 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.322 -4.036 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.659 -4.042 0.271 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.303 -3.808 0.722 1.00 0.00 N ATOM 1188 CA GLU A 79 1.138 -3.913 0.722 1.00 0.00 C ATOM 1189 C GLU A 79 1.673 -3.579 -0.664 1.00 0.00 C ATOM 1190 O GLU A 79 1.550 -4.376 -1.597 1.00 0.00 O ATOM 1191 CB GLU A 79 1.552 -5.328 1.120 1.00 0.00 C ATOM 1192 CG GLU A 79 3.049 -5.560 1.124 1.00 0.00 C ATOM 1193 CD GLU A 79 3.384 -7.033 1.163 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.390 -7.668 0.089 1.00 0.00 O ATOM 1195 OE2 GLU A 79 3.620 -7.570 2.266 1.00 0.00 O ATOM 0 H GLU A 79 -0.780 -4.655 0.413 1.00 0.00 H new ATOM 0 HA GLU A 79 1.554 -3.209 1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.160 -5.543 2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.088 -6.037 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.490 -5.110 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.492 -5.063 1.987 1.00 0.00 H new ATOM 1202 N LEU A 80 2.227 -2.389 -0.801 1.00 0.00 N ATOM 1203 CA LEU A 80 2.767 -1.937 -2.069 1.00 0.00 C ATOM 1204 C LEU A 80 4.246 -2.281 -2.173 1.00 0.00 C ATOM 1205 O LEU A 80 5.078 -1.721 -1.457 1.00 0.00 O ATOM 1206 CB LEU A 80 2.559 -0.426 -2.229 1.00 0.00 C ATOM 1207 CG LEU A 80 3.150 0.187 -3.501 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.514 -0.420 -4.742 1.00 0.00 C ATOM 1209 CD2 LEU A 80 2.970 1.696 -3.494 1.00 0.00 C ATOM 0 H LEU A 80 2.315 -1.713 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 80 2.236 -2.449 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.489 -0.220 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.996 0.077 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 80 4.217 -0.037 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.951 0.032 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.695 -1.495 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.440 -0.233 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.395 2.117 -4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.908 1.935 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.478 2.119 -2.627 1.00 0.00 H new ATOM 1221 N THR A 81 4.554 -3.234 -3.039 1.00 0.00 N ATOM 1222 CA THR A 81 5.929 -3.574 -3.363 1.00 0.00 C ATOM 1223 C THR A 81 6.089 -3.607 -4.876 1.00 0.00 C ATOM 1224 O THR A 81 5.093 -3.569 -5.601 1.00 0.00 O ATOM 1225 CB THR A 81 6.344 -4.944 -2.778 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.510 -5.985 -3.304 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.263 -4.946 -1.258 1.00 0.00 C ATOM 0 H THR A 81 3.859 -3.792 -3.535 1.00 0.00 H new ATOM 0 HA THR A 81 6.574 -2.815 -2.920 1.00 0.00 H new ATOM 0 HB THR A 81 7.379 -5.126 -3.068 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.663 -5.601 -3.613 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.561 -5.924 -0.879 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.930 -4.183 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.240 -4.733 -0.948 1.00 0.00 H new ATOM 1235 N GLU A 82 7.322 -3.683 -5.359 1.00 0.00 N ATOM 1236 CA GLU A 82 7.555 -3.760 -6.796 1.00 0.00 C ATOM 1237 C GLU A 82 7.031 -5.085 -7.351 1.00 0.00 C ATOM 1238 O GLU A 82 6.618 -5.168 -8.508 1.00 0.00 O ATOM 1239 CB GLU A 82 9.043 -3.601 -7.117 1.00 0.00 C ATOM 1240 CG GLU A 82 9.336 -3.573 -8.610 1.00 0.00 C ATOM 1241 CD GLU A 82 10.807 -3.438 -8.920 1.00 0.00 C ATOM 1242 OE1 GLU A 82 11.501 -4.473 -8.994 1.00 0.00 O ATOM 1243 OE2 GLU A 82 11.274 -2.296 -9.117 1.00 0.00 O ATOM 0 H GLU A 82 8.166 -3.693 -4.787 1.00 0.00 H new ATOM 0 HA GLU A 82 7.014 -2.942 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.409 -2.679 -6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.596 -4.422 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.957 -4.487 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.797 -2.742 -9.065 1.00 0.00 H new ATOM 1250 N ALA A 83 7.034 -6.112 -6.508 1.00 0.00 N ATOM 1251 CA ALA A 83 6.550 -7.431 -6.895 1.00 0.00 C ATOM 1252 C ALA A 83 5.037 -7.426 -7.113 1.00 0.00 C ATOM 1253 O ALA A 83 4.504 -8.265 -7.842 1.00 0.00 O ATOM 1254 CB ALA A 83 6.926 -8.463 -5.841 1.00 0.00 C ATOM 0 H ALA A 83 7.369 -6.055 -5.546 1.00 0.00 H new ATOM 0 HA ALA A 83 7.025 -7.698 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.558 -9.443 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.010 -8.499 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.479 -8.187 -4.886 1.00 0.00 H new ATOM 1260 N GLY A 84 4.352 -6.481 -6.479 1.00 0.00 N ATOM 1261 CA GLY A 84 2.913 -6.391 -6.606 1.00 0.00 C ATOM 1262 C GLY A 84 2.257 -5.918 -5.326 1.00 0.00 C ATOM 1263 O GLY A 84 2.938 -5.646 -4.333 1.00 0.00 O ATOM 0 H GLY A 84 4.772 -5.773 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.663 -5.705 -7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.512 -7.367 -6.879 1.00 0.00 H new ATOM 1267 N LEU A 85 0.938 -5.810 -5.346 1.00 0.00 N ATOM 1268 CA LEU A 85 0.191 -5.379 -4.173 1.00 0.00 C ATOM 1269 C LEU A 85 -0.607 -6.539 -3.599 1.00 0.00 C ATOM 1270 O LEU A 85 -1.302 -7.245 -4.333 1.00 0.00 O ATOM 1271 CB LEU A 85 -0.771 -4.231 -4.512 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.127 -2.902 -4.933 1.00 0.00 C ATOM 1273 CD1 LEU A 85 0.403 -2.969 -6.357 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.134 -1.769 -4.798 1.00 0.00 C ATOM 0 H LEU A 85 0.361 -6.015 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 85 0.914 -5.026 -3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.428 -4.562 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.401 -4.045 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 85 0.718 -2.712 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.852 -2.012 -6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.154 -3.755 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.417 -3.187 -7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.668 -0.831 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.994 -1.969 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.462 -1.695 -3.761 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.494 -6.748 -2.295 1.00 0.00 N ATOM 1287 CA LYS A 86 -1.313 -7.745 -1.616 1.00 0.00 C ATOM 1288 C LYS A 86 -2.143 -7.072 -0.534 1.00 0.00 C ATOM 1289 O LYS A 86 -1.828 -5.968 -0.103 1.00 0.00 O ATOM 1290 CB LYS A 86 -0.465 -8.850 -0.968 1.00 0.00 C ATOM 1291 CG LYS A 86 0.622 -9.432 -1.849 1.00 0.00 C ATOM 1292 CD LYS A 86 1.079 -10.790 -1.325 1.00 0.00 C ATOM 1293 CE LYS A 86 1.559 -10.724 0.123 1.00 0.00 C ATOM 1294 NZ LYS A 86 2.936 -10.175 0.241 1.00 0.00 N ATOM 0 H LYS A 86 0.153 -6.244 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.954 -8.204 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.003 -8.449 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.127 -9.657 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.252 -9.537 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.470 -8.748 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.256 -11.501 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.885 -11.167 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.874 -10.105 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.531 -11.723 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.318 -10.396 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.543 -10.601 -0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.911 -9.143 0.111 1.00 0.00 H new ATOM 1308 N VAL A 87 -3.201 -7.731 -0.103 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.984 -7.254 1.026 1.00 0.00 C ATOM 1310 C VAL A 87 -3.410 -7.837 2.314 1.00 0.00 C ATOM 1311 O VAL A 87 -3.455 -9.046 2.527 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.473 -7.649 0.904 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.284 -7.089 2.066 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -6.047 -7.182 -0.426 1.00 0.00 C ATOM 0 H VAL A 87 -3.540 -8.599 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.929 -6.165 1.039 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.536 -8.737 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.328 -7.382 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.894 -7.483 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.211 -6.001 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.096 -7.471 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.964 -6.098 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.493 -7.643 -1.243 1.00 0.00 H new ATOM 1324 N VAL A 88 -2.852 -6.986 3.157 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.216 -7.440 4.385 1.00 0.00 C ATOM 1326 C VAL A 88 -2.948 -6.918 5.609 1.00 0.00 C ATOM 1327 O VAL A 88 -2.375 -6.823 6.685 1.00 0.00 O ATOM 1328 CB VAL A 88 -0.731 -7.017 4.456 1.00 0.00 C ATOM 1329 CG1 VAL A 88 0.087 -7.751 3.404 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -0.583 -5.510 4.295 1.00 0.00 C ATOM 0 H VAL A 88 -2.825 -5.976 3.015 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.265 -8.529 4.375 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.351 -7.290 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.129 -7.439 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.018 -8.825 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.300 -7.515 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.472 -5.240 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.986 -5.206 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.128 -5.004 5.092 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.215 -6.583 5.447 1.00 0.00 N ATOM 1341 CA GLY A 89 -4.997 -6.140 6.579 1.00 0.00 C ATOM 1342 C GLY A 89 -6.357 -5.622 6.182 1.00 0.00 C ATOM 1343 O GLY A 89 -6.537 -5.114 5.074 1.00 0.00 O ATOM 0 H GLY A 89 -4.715 -6.609 4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.118 -6.968 7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.454 -5.355 7.106 1.00 0.00 H new ATOM 1347 N TYR A 90 -7.316 -5.762 7.080 1.00 0.00 N ATOM 1348 CA TYR A 90 -8.663 -5.257 6.849 1.00 0.00 C ATOM 1349 C TYR A 90 -8.973 -4.097 7.785 1.00 0.00 C ATOM 1350 O TYR A 90 -10.130 -3.861 8.142 1.00 0.00 O ATOM 1351 CB TYR A 90 -9.696 -6.368 7.041 1.00 0.00 C ATOM 1352 CG TYR A 90 -9.596 -7.473 6.015 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.007 -7.265 4.705 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -9.092 -8.721 6.356 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -9.917 -8.271 3.764 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -8.999 -9.732 5.419 1.00 0.00 C ATOM 1357 CZ TYR A 90 -9.413 -9.503 4.124 1.00 0.00 C ATOM 1358 OH TYR A 90 -9.320 -10.504 3.185 1.00 0.00 O ATOM 0 H TYR A 90 -7.189 -6.223 7.981 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.715 -4.901 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.576 -6.796 8.036 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.695 -5.934 6.999 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.403 -6.302 4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.768 -8.904 7.370 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.240 -8.094 2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.604 -10.697 5.700 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.944 -11.308 3.600 1.00 0.00 H new ATOM 1368 N ALA A 91 -7.935 -3.373 8.178 1.00 0.00 N ATOM 1369 CA ALA A 91 -8.088 -2.208 9.035 1.00 0.00 C ATOM 1370 C ALA A 91 -6.891 -1.282 8.889 1.00 0.00 C ATOM 1371 O ALA A 91 -5.884 -1.647 8.276 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.260 -2.626 10.489 1.00 0.00 C ATOM 0 H ALA A 91 -6.971 -3.575 7.914 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.985 -1.671 8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.373 -1.739 11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.147 -3.252 10.585 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.383 -3.187 10.812 1.00 0.00 H new ATOM 1378 N PHE A 92 -7.000 -0.085 9.451 1.00 0.00 N ATOM 1379 CA PHE A 92 -5.906 0.877 9.408 1.00 0.00 C ATOM 1380 C PHE A 92 -4.752 0.394 10.278 1.00 0.00 C ATOM 1381 O PHE A 92 -4.975 -0.081 11.391 1.00 0.00 O ATOM 1382 CB PHE A 92 -6.372 2.260 9.876 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.517 2.821 9.079 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.371 3.105 7.729 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -8.740 3.066 9.682 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.422 3.623 6.998 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -9.793 3.586 8.955 1.00 0.00 C ATOM 1388 CZ PHE A 92 -9.634 3.864 7.612 1.00 0.00 C ATOM 0 H PHE A 92 -7.833 0.242 9.941 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.567 0.962 8.376 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.668 2.197 10.923 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.532 2.952 9.823 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.424 2.919 7.244 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.871 2.848 10.732 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.295 3.839 5.947 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -10.741 3.775 9.437 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.457 4.270 7.043 1.00 0.00 H new ATOM 1398 N ASP A 93 -3.530 0.498 9.737 1.00 0.00 N ATOM 1399 CA ASP A 93 -2.285 0.075 10.411 1.00 0.00 C ATOM 1400 C ASP A 93 -2.389 -1.311 11.060 1.00 0.00 C ATOM 1401 O ASP A 93 -1.632 -1.640 11.974 1.00 0.00 O ATOM 1402 CB ASP A 93 -1.794 1.127 11.432 1.00 0.00 C ATOM 1403 CG ASP A 93 -2.680 1.304 12.655 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -2.467 0.595 13.662 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -3.560 2.193 12.639 1.00 0.00 O ATOM 0 H ASP A 93 -3.372 0.883 8.806 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.538 -0.005 9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.794 0.848 11.765 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.705 2.088 10.925 1.00 0.00 H new ATOM 1410 N GLN A 94 -3.294 -2.141 10.553 1.00 0.00 N ATOM 1411 CA GLN A 94 -3.438 -3.505 11.040 1.00 0.00 C ATOM 1412 C GLN A 94 -2.988 -4.492 9.975 1.00 0.00 C ATOM 1413 O GLN A 94 -3.566 -4.554 8.889 1.00 0.00 O ATOM 1414 CB GLN A 94 -4.887 -3.803 11.440 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.119 -5.259 11.827 1.00 0.00 C ATOM 1416 CD GLN A 94 -6.545 -5.539 12.260 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -7.219 -4.676 12.827 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -7.021 -6.745 11.986 1.00 0.00 N ATOM 0 H GLN A 94 -3.939 -1.891 9.804 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.809 -3.612 11.924 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.164 -3.163 12.278 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.546 -3.545 10.611 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.871 -5.898 10.980 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.440 -5.526 12.637 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.431 -7.431 11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.977 -6.987 12.246 1.00 0.00 H new ATOM 1427 N VAL A 95 -1.947 -5.245 10.281 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.468 -6.269 9.375 1.00 0.00 C ATOM 1429 C VAL A 95 -1.987 -7.638 9.791 1.00 0.00 C ATOM 1430 O VAL A 95 -1.579 -8.191 10.816 1.00 0.00 O ATOM 1431 CB VAL A 95 0.073 -6.292 9.287 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.557 -7.504 8.498 1.00 0.00 C ATOM 1433 CG2 VAL A 95 0.576 -5.016 8.635 1.00 0.00 C ATOM 0 H VAL A 95 -1.418 -5.166 11.150 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.852 -6.025 8.385 1.00 0.00 H new ATOM 0 HB VAL A 95 0.471 -6.361 10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.646 -7.496 8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.222 -8.417 8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.150 -7.467 7.488 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.664 -5.041 8.577 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.161 -4.933 7.630 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.264 -4.157 9.229 1.00 0.00 H new ATOM 1443 N ASP A 96 -2.911 -8.161 9.001 1.00 0.00 N ATOM 1444 CA ASP A 96 -3.423 -9.503 9.202 1.00 0.00 C ATOM 1445 C ASP A 96 -2.465 -10.491 8.553 1.00 0.00 C ATOM 1446 O ASP A 96 -2.503 -10.718 7.345 1.00 0.00 O ATOM 1447 CB ASP A 96 -4.837 -9.649 8.624 1.00 0.00 C ATOM 1448 CG ASP A 96 -5.875 -8.847 9.394 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -6.181 -9.216 10.547 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -6.404 -7.855 8.849 1.00 0.00 O ATOM 0 H ASP A 96 -3.324 -7.670 8.208 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.492 -9.708 10.270 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.834 -9.326 7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.120 -10.702 8.630 1.00 0.00 H new ATOM 1455 N ASP A 97 -1.591 -11.057 9.372 1.00 0.00 N ATOM 1456 CA ASP A 97 -0.482 -11.875 8.889 1.00 0.00 C ATOM 1457 C ASP A 97 -0.945 -13.222 8.352 1.00 0.00 C ATOM 1458 O ASP A 97 -0.186 -13.918 7.683 1.00 0.00 O ATOM 1459 CB ASP A 97 0.537 -12.101 10.010 1.00 0.00 C ATOM 1460 CG ASP A 97 -0.076 -12.777 11.220 1.00 0.00 C ATOM 1461 OD1 ASP A 97 -0.632 -12.061 12.082 1.00 0.00 O ATOM 1462 OD2 ASP A 97 -0.016 -14.022 11.315 1.00 0.00 O ATOM 0 H ASP A 97 -1.628 -10.964 10.387 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.021 -11.328 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.358 -12.711 9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.963 -11.143 10.309 1.00 0.00 H new ATOM 1467 N HIS A 98 -2.184 -13.592 8.639 1.00 0.00 N ATOM 1468 CA HIS A 98 -2.688 -14.892 8.224 1.00 0.00 C ATOM 1469 C HIS A 98 -3.134 -14.864 6.763 1.00 0.00 C ATOM 1470 O HIS A 98 -3.389 -15.908 6.166 1.00 0.00 O ATOM 1471 CB HIS A 98 -3.841 -15.331 9.134 1.00 0.00 C ATOM 1472 CG HIS A 98 -4.243 -16.760 8.941 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -5.518 -17.147 8.603 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -3.525 -17.903 9.049 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -5.567 -18.460 8.505 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -4.368 -18.947 8.769 1.00 0.00 N ATOM 0 H HIS A 98 -2.853 -13.017 9.152 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.879 -15.617 8.314 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -3.550 -15.181 10.174 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.704 -14.691 8.949 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.479 -17.978 9.308 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -6.441 -19.041 8.251 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -4.112 -19.934 8.765 1.00 0.00 H new ATOM 1485 N LEU A 99 -3.209 -13.671 6.190 1.00 0.00 N ATOM 1486 CA LEU A 99 -3.656 -13.517 4.810 1.00 0.00 C ATOM 1487 C LEU A 99 -2.611 -14.048 3.830 1.00 0.00 C ATOM 1488 O LEU A 99 -1.412 -13.799 3.983 1.00 0.00 O ATOM 1489 CB LEU A 99 -3.971 -12.050 4.509 1.00 0.00 C ATOM 1490 CG LEU A 99 -5.115 -11.455 5.332 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -5.343 -10.001 4.960 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -6.390 -12.260 5.131 1.00 0.00 C ATOM 0 H LEU A 99 -2.967 -12.797 6.657 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.566 -14.103 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.072 -11.458 4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.217 -11.956 3.451 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.838 -11.501 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.161 -9.597 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.435 -9.429 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.597 -9.932 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.194 -11.823 5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.667 -12.245 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.224 -13.290 5.448 1.00 0.00 H new ATOM 1504 N GLN A 100 -3.078 -14.781 2.827 1.00 0.00 N ATOM 1505 CA GLN A 100 -2.196 -15.392 1.844 1.00 0.00 C ATOM 1506 C GLN A 100 -2.597 -14.972 0.429 1.00 0.00 C ATOM 1507 O GLN A 100 -2.231 -15.621 -0.553 1.00 0.00 O ATOM 1508 CB GLN A 100 -2.220 -16.924 1.967 1.00 0.00 C ATOM 1509 CG GLN A 100 -3.530 -17.571 1.532 1.00 0.00 C ATOM 1510 CD GLN A 100 -4.556 -17.693 2.643 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -4.602 -16.896 3.577 1.00 0.00 O ATOM 1512 NE2 GLN A 100 -5.400 -18.700 2.536 1.00 0.00 N ATOM 0 H GLN A 100 -4.069 -14.967 2.674 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.181 -15.045 2.039 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.409 -17.337 1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.021 -17.196 3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.959 -16.987 0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.319 -18.564 1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.331 -19.342 1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.122 -18.838 3.243 1.00 0.00 H new ATOM 1521 N THR A 101 -3.357 -13.886 0.338 1.00 0.00 N ATOM 1522 CA THR A 101 -3.785 -13.342 -0.948 1.00 0.00 C ATOM 1523 C THR A 101 -2.578 -13.068 -1.855 1.00 0.00 C ATOM 1524 O THR A 101 -1.566 -12.525 -1.406 1.00 0.00 O ATOM 1525 CB THR A 101 -4.613 -12.047 -0.760 1.00 0.00 C ATOM 1526 OG1 THR A 101 -4.917 -11.452 -2.030 1.00 0.00 O ATOM 1527 CG2 THR A 101 -3.870 -11.046 0.108 1.00 0.00 C ATOM 0 H THR A 101 -3.692 -13.361 1.146 1.00 0.00 H new ATOM 0 HA THR A 101 -4.419 -14.089 -1.426 1.00 0.00 H new ATOM 0 HB THR A 101 -5.543 -12.319 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.442 -10.636 -1.892 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.474 -10.146 0.224 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.680 -11.484 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.922 -10.788 -0.364 1.00 0.00 H new ATOM 1535 N PRO A 102 -2.670 -13.452 -3.138 1.00 0.00 N ATOM 1536 CA PRO A 102 -1.569 -13.304 -4.096 1.00 0.00 C ATOM 1537 C PRO A 102 -1.303 -11.850 -4.477 1.00 0.00 C ATOM 1538 O PRO A 102 -2.170 -10.983 -4.333 1.00 0.00 O ATOM 1539 CB PRO A 102 -2.039 -14.082 -5.333 1.00 0.00 C ATOM 1540 CG PRO A 102 -3.264 -14.823 -4.914 1.00 0.00 C ATOM 1541 CD PRO A 102 -3.849 -14.058 -3.765 1.00 0.00 C ATOM 0 HA PRO A 102 -0.635 -13.669 -3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.256 -13.406 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.267 -14.769 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.976 -14.893 -5.736 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.019 -15.843 -4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.559 -13.303 -4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.382 -14.712 -3.075 1.00 0.00 H new ATOM 1549 N TYR A 103 -0.088 -11.602 -4.954 1.00 0.00 N ATOM 1550 CA TYR A 103 0.302 -10.288 -5.450 1.00 0.00 C ATOM 1551 C TYR A 103 -0.542 -9.919 -6.662 1.00 0.00 C ATOM 1552 O TYR A 103 -0.721 -10.732 -7.571 1.00 0.00 O ATOM 1553 CB TYR A 103 1.781 -10.284 -5.873 1.00 0.00 C ATOM 1554 CG TYR A 103 2.725 -10.925 -4.882 1.00 0.00 C ATOM 1555 CD1 TYR A 103 2.985 -12.288 -4.929 1.00 0.00 C ATOM 1556 CD2 TYR A 103 3.374 -10.168 -3.917 1.00 0.00 C ATOM 1557 CE1 TYR A 103 3.856 -12.882 -4.039 1.00 0.00 C ATOM 1558 CE2 TYR A 103 4.248 -10.754 -3.020 1.00 0.00 C ATOM 1559 CZ TYR A 103 4.487 -12.112 -3.088 1.00 0.00 C ATOM 1560 OH TYR A 103 5.356 -12.704 -2.199 1.00 0.00 O ATOM 0 H TYR A 103 0.651 -12.303 -5.007 1.00 0.00 H new ATOM 0 HA TYR A 103 0.149 -9.567 -4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.873 -10.802 -6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.095 -9.253 -6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.496 -12.895 -5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.194 -9.104 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.042 -13.945 -4.088 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.741 -10.153 -2.270 1.00 0.00 H new ATOM 0 HH TYR A 103 5.719 -12.024 -1.594 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.070 -8.708 -6.678 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.757 -8.219 -7.861 1.00 0.00 C ATOM 1572 C HIS A 104 -0.865 -7.281 -8.651 1.00 0.00 C ATOM 1573 O HIS A 104 0.006 -6.618 -8.090 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.080 -7.543 -7.511 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.246 -8.479 -7.602 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -4.716 -8.971 -8.801 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -5.032 -9.023 -6.642 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.738 -9.774 -8.577 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.949 -9.824 -7.276 1.00 0.00 N ATOM 0 H HIS A 104 -1.038 -8.053 -5.897 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.989 -9.083 -8.484 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -3.021 -7.139 -6.500 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.242 -6.700 -8.183 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -4.333 -8.748 -9.720 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.952 -8.858 -5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.305 -10.301 -9.330 1.00 0.00 H new ATOM 1588 N GLU A 105 -1.104 -7.249 -9.953 1.00 0.00 N ATOM 1589 CA GLU A 105 -0.270 -6.526 -10.906 1.00 0.00 C ATOM 1590 C GLU A 105 -0.123 -5.063 -10.521 1.00 0.00 C ATOM 1591 O GLU A 105 0.965 -4.602 -10.174 1.00 0.00 O ATOM 1592 CB GLU A 105 -0.870 -6.602 -12.318 1.00 0.00 C ATOM 1593 CG GLU A 105 -1.593 -7.905 -12.637 1.00 0.00 C ATOM 1594 CD GLU A 105 -2.976 -7.983 -12.007 1.00 0.00 C ATOM 1595 OE1 GLU A 105 -3.911 -7.345 -12.530 1.00 0.00 O ATOM 1596 OE2 GLU A 105 -3.125 -8.660 -10.968 1.00 0.00 O ATOM 0 H GLU A 105 -1.893 -7.730 -10.385 1.00 0.00 H new ATOM 0 HA GLU A 105 0.712 -6.999 -10.892 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -1.568 -5.775 -12.446 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.071 -6.459 -13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -1.685 -8.008 -13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.992 -8.744 -12.287 1.00 0.00 H new ATOM 1603 N THR A 106 -1.226 -4.338 -10.594 1.00 0.00 N ATOM 1604 CA THR A 106 -1.213 -2.909 -10.351 1.00 0.00 C ATOM 1605 C THR A 106 -2.303 -2.534 -9.362 1.00 0.00 C ATOM 1606 O THR A 106 -3.182 -3.346 -9.063 1.00 0.00 O ATOM 1607 CB THR A 106 -1.423 -2.119 -11.661 1.00 0.00 C ATOM 1608 OG1 THR A 106 -2.689 -2.458 -12.239 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.317 -2.413 -12.664 1.00 0.00 C ATOM 0 H THR A 106 -2.145 -4.719 -10.821 1.00 0.00 H new ATOM 0 HA THR A 106 -0.237 -2.652 -9.938 1.00 0.00 H new ATOM 0 HB THR A 106 -1.399 -1.056 -11.419 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.054 -3.248 -11.788 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.492 -1.843 -13.576 1.00 0.00 H new ATOM 0 HG22 THR A 106 0.645 -2.130 -12.238 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.311 -3.478 -12.897 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.250 -1.310 -8.858 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.279 -0.817 -7.957 1.00 0.00 C ATOM 1619 C VAL A 107 -4.570 -0.557 -8.733 1.00 0.00 C ATOM 1620 O VAL A 107 -5.660 -0.568 -8.168 1.00 0.00 O ATOM 1621 CB VAL A 107 -2.828 0.473 -7.235 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.615 1.610 -8.225 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -3.827 0.868 -6.156 1.00 0.00 C ATOM 0 H VAL A 107 -1.506 -0.641 -9.058 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.457 -1.581 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.872 0.270 -6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.298 2.505 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.847 1.327 -8.944 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.547 1.814 -8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.488 1.779 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.802 1.043 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.907 0.066 -5.423 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.439 -0.357 -10.038 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.586 -0.081 -10.890 1.00 0.00 C ATOM 1635 C TYR A 108 -6.470 -1.318 -11.028 1.00 0.00 C ATOM 1636 O TYR A 108 -7.685 -1.252 -10.821 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.119 0.399 -12.267 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.430 1.749 -12.234 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -5.166 2.924 -12.333 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.050 1.850 -12.105 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -4.549 4.158 -12.305 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -2.424 3.083 -12.075 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.180 4.234 -12.174 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.563 5.465 -12.146 1.00 0.00 O ATOM 0 H TYR A 108 -3.546 -0.381 -10.530 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.177 0.708 -10.425 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.436 -0.339 -12.688 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -5.979 0.455 -12.935 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.240 2.870 -12.434 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.457 0.951 -12.027 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.137 5.060 -12.385 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.350 3.145 -11.975 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.198 6.142 -11.831 1.00 0.00 H new ATOM 1654 N SER A 109 -5.857 -2.448 -11.356 1.00 0.00 N ATOM 1655 CA SER A 109 -6.597 -3.692 -11.499 1.00 0.00 C ATOM 1656 C SER A 109 -6.976 -4.251 -10.130 1.00 0.00 C ATOM 1657 O SER A 109 -7.971 -4.958 -9.989 1.00 0.00 O ATOM 1658 CB SER A 109 -5.781 -4.712 -12.298 1.00 0.00 C ATOM 1659 OG SER A 109 -4.491 -4.904 -11.738 1.00 0.00 O ATOM 0 H SER A 109 -4.855 -2.528 -11.527 1.00 0.00 H new ATOM 0 HA SER A 109 -7.516 -3.487 -12.047 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.312 -5.663 -12.324 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.684 -4.373 -13.329 1.00 0.00 H new ATOM 0 HG SER A 109 -4.072 -5.691 -12.144 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.184 -3.919 -9.121 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.484 -4.330 -7.758 1.00 0.00 C ATOM 1667 C LEU A 110 -7.708 -3.591 -7.228 1.00 0.00 C ATOM 1668 O LEU A 110 -8.644 -4.209 -6.729 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.288 -4.066 -6.845 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.537 -4.335 -5.364 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.717 -5.824 -5.108 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.398 -3.781 -4.524 1.00 0.00 C ATOM 0 H LEU A 110 -5.331 -3.368 -9.220 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.696 -5.399 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.454 -4.684 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.981 -3.027 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.457 -3.828 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.893 -5.992 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.569 -6.191 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.817 -6.357 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.592 -3.982 -3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.463 -4.258 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.321 -2.705 -4.680 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.706 -2.270 -7.354 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.819 -1.458 -6.877 1.00 0.00 C ATOM 1686 C LEU A 111 -10.081 -1.796 -7.663 1.00 0.00 C ATOM 1687 O LEU A 111 -11.199 -1.641 -7.171 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.488 0.029 -7.011 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.425 0.974 -6.262 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.345 0.724 -4.763 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -9.085 2.421 -6.581 1.00 0.00 C ATOM 0 H LEU A 111 -6.948 -1.738 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.991 -1.677 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.471 0.192 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.500 0.294 -8.068 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.447 0.780 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.019 1.406 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.635 -0.305 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.324 0.892 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.762 3.082 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.058 2.628 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.191 2.592 -7.652 1.00 0.00 H new ATOM 1703 N ASP A 112 -9.877 -2.285 -8.879 1.00 0.00 N ATOM 1704 CA ASP A 112 -10.972 -2.728 -9.743 1.00 0.00 C ATOM 1705 C ASP A 112 -11.739 -3.865 -9.079 1.00 0.00 C ATOM 1706 O ASP A 112 -12.969 -3.899 -9.101 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.423 -3.200 -11.094 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.505 -3.633 -12.065 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.010 -4.768 -11.944 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.842 -2.841 -12.973 1.00 0.00 O ATOM 0 H ASP A 112 -8.952 -2.387 -9.297 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.647 -1.887 -9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -9.843 -2.394 -11.544 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.739 -4.032 -10.929 1.00 0.00 H new ATOM 1715 N THR A 113 -10.999 -4.776 -8.457 1.00 0.00 N ATOM 1716 CA THR A 113 -11.594 -5.943 -7.817 1.00 0.00 C ATOM 1717 C THR A 113 -12.239 -5.573 -6.483 1.00 0.00 C ATOM 1718 O THR A 113 -13.030 -6.335 -5.931 1.00 0.00 O ATOM 1719 CB THR A 113 -10.536 -7.042 -7.572 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.593 -6.621 -6.575 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.793 -7.373 -8.853 1.00 0.00 C ATOM 0 H THR A 113 -9.983 -4.728 -8.382 1.00 0.00 H new ATOM 0 HA THR A 113 -12.360 -6.321 -8.494 1.00 0.00 H new ATOM 0 HB THR A 113 -11.059 -7.932 -7.223 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.343 -5.687 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.054 -8.149 -8.655 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.500 -7.728 -9.602 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.291 -6.479 -9.223 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.901 -4.392 -5.980 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.335 -3.967 -4.654 1.00 0.00 C ATOM 1731 C LEU A 114 -13.497 -2.983 -4.743 1.00 0.00 C ATOM 1732 O LEU A 114 -14.210 -2.755 -3.765 1.00 0.00 O ATOM 1733 CB LEU A 114 -11.157 -3.333 -3.914 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.925 -4.232 -3.786 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.730 -3.441 -3.285 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.213 -5.407 -2.862 1.00 0.00 C ATOM 0 H LEU A 114 -11.325 -3.709 -6.472 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.683 -4.841 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.870 -2.418 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.485 -3.045 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.685 -4.622 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.866 -4.100 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.506 -2.637 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.958 -3.017 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.325 -6.035 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.483 -5.035 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.038 -5.994 -3.266 1.00 0.00 H new ATOM 1748 N SER A 115 -13.665 -2.381 -5.910 1.00 0.00 N ATOM 1749 CA SER A 115 -14.778 -1.481 -6.162 1.00 0.00 C ATOM 1750 C SER A 115 -15.077 -1.416 -7.652 1.00 0.00 C ATOM 1751 O SER A 115 -14.292 -0.870 -8.425 1.00 0.00 O ATOM 1752 CB SER A 115 -14.484 -0.075 -5.623 1.00 0.00 C ATOM 1753 OG SER A 115 -14.407 -0.071 -4.208 1.00 0.00 O ATOM 0 H SER A 115 -13.037 -2.502 -6.705 1.00 0.00 H new ATOM 0 HA SER A 115 -15.652 -1.871 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.545 0.288 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.265 0.612 -5.949 1.00 0.00 H new ATOM 0 HG SER A 115 -14.460 -0.991 -3.875 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.221 -1.970 -8.075 1.00 0.00 N ATOM 1760 CA PRO A 116 -16.642 -1.938 -9.479 1.00 0.00 C ATOM 1761 C PRO A 116 -16.898 -0.513 -9.963 1.00 0.00 C ATOM 1762 O PRO A 116 -16.855 -0.237 -11.164 1.00 0.00 O ATOM 1763 CB PRO A 116 -17.939 -2.754 -9.489 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.423 -2.737 -8.079 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.192 -2.678 -7.222 1.00 0.00 C ATOM 0 HA PRO A 116 -15.877 -2.337 -10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -18.675 -2.315 -10.163 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -17.760 -3.773 -9.832 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.067 -1.876 -7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -19.011 -3.628 -7.857 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.375 -2.142 -6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -16.841 -3.674 -6.953 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.132 0.391 -9.014 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.415 1.787 -9.321 1.00 0.00 C ATOM 1775 C ALA A 117 -16.155 2.514 -9.782 1.00 0.00 C ATOM 1776 O ALA A 117 -16.220 3.641 -10.279 1.00 0.00 O ATOM 1777 CB ALA A 117 -18.016 2.480 -8.108 1.00 0.00 C ATOM 0 H ALA A 117 -17.130 0.176 -8.017 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.137 1.817 -10.137 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -18.223 3.522 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.944 1.982 -7.827 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -17.313 2.433 -7.277 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.011 1.858 -9.616 1.00 0.00 N ATOM 1784 CA TYR A 118 -13.729 2.386 -10.067 1.00 0.00 C ATOM 1785 C TYR A 118 -13.762 2.692 -11.563 1.00 0.00 C ATOM 1786 O TYR A 118 -13.137 3.644 -12.033 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.627 1.364 -9.749 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.385 1.488 -10.606 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.385 2.400 -10.296 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.218 0.685 -11.729 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.259 2.515 -11.088 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.095 0.793 -12.523 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.118 1.707 -12.197 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.003 1.822 -12.994 1.00 0.00 O ATOM 0 H TYR A 118 -14.947 0.945 -9.165 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.522 3.320 -9.544 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.342 1.471 -8.702 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.035 0.360 -9.868 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.489 3.028 -9.424 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.981 -0.036 -11.984 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.493 3.234 -10.840 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.983 0.165 -13.394 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.060 1.179 -13.732 1.00 0.00 H new ATOM 1804 N ARG A 119 -14.516 1.890 -12.301 1.00 0.00 N ATOM 1805 CA ARG A 119 -14.575 2.008 -13.753 1.00 0.00 C ATOM 1806 C ARG A 119 -15.425 3.200 -14.177 1.00 0.00 C ATOM 1807 O ARG A 119 -15.216 3.780 -15.244 1.00 0.00 O ATOM 1808 CB ARG A 119 -15.126 0.716 -14.347 1.00 0.00 C ATOM 1809 CG ARG A 119 -14.359 -0.505 -13.885 1.00 0.00 C ATOM 1810 CD ARG A 119 -15.042 -1.791 -14.300 1.00 0.00 C ATOM 1811 NE ARG A 119 -14.476 -2.938 -13.602 1.00 0.00 N ATOM 1812 CZ ARG A 119 -15.166 -4.024 -13.282 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -16.435 -4.141 -13.647 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -14.581 -5.002 -12.612 1.00 0.00 N ATOM 0 H ARG A 119 -15.099 1.146 -11.917 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.566 2.176 -14.130 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -16.175 0.610 -14.069 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -15.089 0.775 -15.435 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.351 -0.479 -14.300 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -14.258 -0.481 -12.800 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -16.109 -1.724 -14.088 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -14.939 -1.930 -15.376 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.490 -2.903 -13.344 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -16.884 -3.394 -14.176 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -16.962 -4.978 -13.399 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.601 -4.920 -12.342 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -15.110 -5.838 -12.365 1.00 0.00 H new ATOM 1828 N GLU A 120 -16.375 3.576 -13.330 1.00 0.00 N ATOM 1829 CA GLU A 120 -17.231 4.720 -13.611 1.00 0.00 C ATOM 1830 C GLU A 120 -16.632 5.993 -13.031 1.00 0.00 C ATOM 1831 O GLU A 120 -17.204 7.072 -13.159 1.00 0.00 O ATOM 1832 CB GLU A 120 -18.643 4.512 -13.051 1.00 0.00 C ATOM 1833 CG GLU A 120 -19.466 3.465 -13.791 1.00 0.00 C ATOM 1834 CD GLU A 120 -18.975 2.052 -13.558 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -19.084 1.566 -12.416 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -18.495 1.415 -14.521 1.00 0.00 O ATOM 0 H GLU A 120 -16.571 3.107 -12.446 1.00 0.00 H new ATOM 0 HA GLU A 120 -17.301 4.818 -14.694 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -18.566 4.222 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -19.176 5.462 -13.080 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -20.506 3.539 -13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -19.442 3.680 -14.859 1.00 0.00 H new ATOM 1843 N ALA A 121 -15.479 5.861 -12.391 1.00 0.00 N ATOM 1844 CA ALA A 121 -14.800 7.008 -11.812 1.00 0.00 C ATOM 1845 C ALA A 121 -13.963 7.725 -12.865 1.00 0.00 C ATOM 1846 O ALA A 121 -14.286 8.837 -13.278 1.00 0.00 O ATOM 1847 CB ALA A 121 -13.933 6.581 -10.637 1.00 0.00 C ATOM 0 H ALA A 121 -14.996 4.972 -12.260 1.00 0.00 H new ATOM 0 HA ALA A 121 -15.555 7.703 -11.445 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -13.433 7.454 -10.217 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -14.558 6.118 -9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -13.186 5.864 -10.978 1.00 0.00 H new ATOM 1853 N PHE A 122 -12.909 7.067 -13.327 1.00 0.00 N ATOM 1854 CA PHE A 122 -12.002 7.681 -14.288 1.00 0.00 C ATOM 1855 C PHE A 122 -12.597 7.634 -15.687 1.00 0.00 C ATOM 1856 O PHE A 122 -12.387 8.546 -16.488 1.00 0.00 O ATOM 1857 CB PHE A 122 -10.639 6.990 -14.262 1.00 0.00 C ATOM 1858 CG PHE A 122 -9.958 7.089 -12.928 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -9.468 8.303 -12.480 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -9.823 5.974 -12.119 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -8.852 8.403 -11.250 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -9.207 6.069 -10.886 1.00 0.00 C ATOM 1863 CZ PHE A 122 -8.721 7.285 -10.452 1.00 0.00 C ATOM 0 H PHE A 122 -12.662 6.116 -13.055 1.00 0.00 H new ATOM 0 HA PHE A 122 -11.861 8.725 -14.007 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -10.765 5.939 -14.522 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -9.998 7.433 -15.025 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.569 9.182 -13.100 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -10.203 5.020 -12.455 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.472 9.356 -10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -9.106 5.193 -10.263 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.239 7.362 -9.489 1.00 0.00 H new