USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=26 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 104 HIS : no HE2:sc= 0.0214 K(o=0.021,f=-1.2) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 54 SER OG : rot -150:sc= -0.011 USER MOD Set 2.2: A 67 ASN : amide:sc= -1.59! C(o=0.22!,f=-4.8!) USER MOD Set 2.3: A 77 CYS SG : rot 35:sc= 1.82 USER MOD Set 3.1: A 49 ASN : amide:sc= -2.12 K(o=-2.3,f=-3.2) USER MOD Set 3.2: A 71 LYS NZ :NH3+ -155:sc= -0.229 (180deg=-1.07) USER MOD Single : A 33 MET CE :methyl 167:sc= -0.252 (180deg=-0.912) USER MOD Single : A 42 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.751 K(o=-0.75,f=-2.3) USER MOD Single : A 51 MET CE :methyl -110:sc= -0.109 (180deg=-2.7!) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.0435 (180deg=-0.293) USER MOD Single : A 56 SER OG : rot 69:sc= 1.33 USER MOD Single : A 59 CYS SG : rot 43:sc= -0.174 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 167:sc= 1.4 USER MOD Single : A 74 ASN : amide:sc= -2.07! C(o=-2.1!,f=-1.6!) USER MOD Single : A 76 TYR OH : rot -126:sc= 1.08 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.23) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.162 F(o=-1.1,f=-0.16) USER MOD Single : A 98 HIS : no HE2:sc= 0.124 K(o=0.12,f=-4.8!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.15 F(o=-1.2,f=-0.15) USER MOD Single : A 101 THR OG1 : rot 39:sc= -3.66! USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 108 TYR OH : rot 76:sc= 1.23 USER MOD Single : A 113 THR OG1 : rot -54:sc= 1.16 USER MOD Single : A 115 SER OG : rot -8:sc= 0.0753 USER MOD Single : A 118 TYR OH : rot -159:sc= -1.29 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 12.547 4.605 -2.391 1.00 0.00 N ATOM 439 CA ASP A 32 11.411 4.843 -1.511 1.00 0.00 C ATOM 440 C ASP A 32 10.125 4.422 -2.198 1.00 0.00 C ATOM 441 O ASP A 32 9.620 5.135 -3.065 1.00 0.00 O ATOM 442 CB ASP A 32 11.288 6.325 -1.131 1.00 0.00 C ATOM 443 CG ASP A 32 12.343 6.811 -0.164 1.00 0.00 C ATOM 444 OD1 ASP A 32 13.470 7.115 -0.610 1.00 0.00 O ATOM 445 OD2 ASP A 32 12.035 6.943 1.043 1.00 0.00 O ATOM 0 HA ASP A 32 11.576 4.257 -0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.340 6.926 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.305 6.495 -0.692 1.00 0.00 H new ATOM 450 N MET A 33 9.591 3.272 -1.820 1.00 0.00 N ATOM 451 CA MET A 33 8.297 2.842 -2.337 1.00 0.00 C ATOM 452 C MET A 33 7.224 3.835 -1.899 1.00 0.00 C ATOM 453 O MET A 33 6.152 3.922 -2.485 1.00 0.00 O ATOM 454 CB MET A 33 7.952 1.442 -1.835 1.00 0.00 C ATOM 455 CG MET A 33 6.823 0.780 -2.608 1.00 0.00 C ATOM 456 SD MET A 33 7.202 0.607 -4.364 1.00 0.00 S ATOM 457 CE MET A 33 8.754 -0.286 -4.272 1.00 0.00 C ATOM 0 H MET A 33 10.026 2.623 -1.164 1.00 0.00 H new ATOM 0 HA MET A 33 8.344 2.810 -3.426 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.841 0.814 -1.897 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.675 1.500 -0.782 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.623 -0.204 -2.183 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.913 1.368 -2.492 1.00 0.00 H new ATOM 0 HE1 MET A 33 9.009 -0.674 -5.258 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.541 0.387 -3.932 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.656 -1.114 -3.570 1.00 0.00 H new ATOM 467 N ARG A 34 7.553 4.589 -0.859 1.00 0.00 N ATOM 468 CA ARG A 34 6.692 5.641 -0.328 1.00 0.00 C ATOM 469 C ARG A 34 6.315 6.677 -1.399 1.00 0.00 C ATOM 470 O ARG A 34 5.211 7.223 -1.380 1.00 0.00 O ATOM 471 CB ARG A 34 7.416 6.315 0.840 1.00 0.00 C ATOM 472 CG ARG A 34 6.758 7.588 1.343 1.00 0.00 C ATOM 473 CD ARG A 34 7.602 8.246 2.422 1.00 0.00 C ATOM 474 NE ARG A 34 9.015 8.322 2.038 1.00 0.00 N ATOM 475 CZ ARG A 34 9.650 9.452 1.731 1.00 0.00 C ATOM 476 NH1 ARG A 34 8.995 10.607 1.726 1.00 0.00 N ATOM 477 NH2 ARG A 34 10.937 9.415 1.406 1.00 0.00 N ATOM 0 H ARG A 34 8.433 4.488 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 34 5.759 5.192 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.484 5.606 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.436 6.546 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.616 8.281 0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.769 7.359 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.224 9.250 2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.508 7.683 3.351 1.00 0.00 H new ATOM 0 HE ARG A 34 9.547 7.452 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.002 10.631 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.485 11.470 1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.434 8.524 1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.428 10.277 1.170 1.00 0.00 H new ATOM 491 N LEU A 35 7.218 6.930 -2.340 1.00 0.00 N ATOM 492 CA LEU A 35 6.976 7.932 -3.383 1.00 0.00 C ATOM 493 C LEU A 35 5.902 7.442 -4.333 1.00 0.00 C ATOM 494 O LEU A 35 4.926 8.143 -4.610 1.00 0.00 O ATOM 495 CB LEU A 35 8.256 8.198 -4.164 1.00 0.00 C ATOM 496 CG LEU A 35 9.505 8.268 -3.303 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.753 8.313 -4.173 1.00 0.00 C ATOM 498 CD2 LEU A 35 9.455 9.472 -2.375 1.00 0.00 C ATOM 0 H LEU A 35 8.121 6.460 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 35 6.647 8.856 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.385 7.412 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.149 9.137 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 35 9.546 7.368 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.638 8.363 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.799 7.415 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.717 9.193 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.360 9.501 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.385 10.385 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.584 9.394 -1.724 1.00 0.00 H new ATOM 510 N GLU A 36 6.090 6.221 -4.815 1.00 0.00 N ATOM 511 CA GLU A 36 5.106 5.568 -5.661 1.00 0.00 C ATOM 512 C GLU A 36 3.814 5.376 -4.886 1.00 0.00 C ATOM 513 O GLU A 36 2.725 5.383 -5.455 1.00 0.00 O ATOM 514 CB GLU A 36 5.629 4.212 -6.135 1.00 0.00 C ATOM 515 CG GLU A 36 6.923 4.295 -6.926 1.00 0.00 C ATOM 516 CD GLU A 36 6.776 5.089 -8.207 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.333 4.513 -9.221 1.00 0.00 O ATOM 518 OE2 GLU A 36 7.110 6.291 -8.209 1.00 0.00 O ATOM 0 H GLU A 36 6.922 5.661 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 36 4.918 6.196 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.785 3.570 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.867 3.735 -6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.694 4.753 -6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.263 3.287 -7.165 1.00 0.00 H new ATOM 525 N ALA A 37 3.950 5.238 -3.572 1.00 0.00 N ATOM 526 CA ALA A 37 2.796 5.030 -2.707 1.00 0.00 C ATOM 527 C ALA A 37 1.882 6.245 -2.739 1.00 0.00 C ATOM 528 O ALA A 37 0.682 6.122 -2.973 1.00 0.00 O ATOM 529 CB ALA A 37 3.231 4.728 -1.281 1.00 0.00 C ATOM 0 H ALA A 37 4.845 5.266 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 37 2.243 4.168 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.351 4.577 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.843 3.826 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.812 5.565 -0.893 1.00 0.00 H new ATOM 535 N GLU A 38 2.461 7.420 -2.527 1.00 0.00 N ATOM 536 CA GLU A 38 1.695 8.658 -2.525 1.00 0.00 C ATOM 537 C GLU A 38 1.145 8.962 -3.913 1.00 0.00 C ATOM 538 O GLU A 38 0.091 9.587 -4.047 1.00 0.00 O ATOM 539 CB GLU A 38 2.553 9.821 -2.037 1.00 0.00 C ATOM 540 CG GLU A 38 3.057 9.640 -0.616 1.00 0.00 C ATOM 541 CD GLU A 38 3.717 10.886 -0.076 1.00 0.00 C ATOM 542 OE1 GLU A 38 4.941 11.049 -0.259 1.00 0.00 O ATOM 543 OE2 GLU A 38 3.011 11.717 0.529 1.00 0.00 O ATOM 0 H GLU A 38 3.459 7.541 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 38 0.856 8.529 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.406 9.940 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.972 10.741 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.223 9.365 0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.768 8.814 -0.588 1.00 0.00 H new ATOM 550 N ALA A 39 1.859 8.518 -4.941 1.00 0.00 N ATOM 551 CA ALA A 39 1.396 8.673 -6.312 1.00 0.00 C ATOM 552 C ALA A 39 0.098 7.904 -6.511 1.00 0.00 C ATOM 553 O ALA A 39 -0.861 8.417 -7.087 1.00 0.00 O ATOM 554 CB ALA A 39 2.460 8.200 -7.293 1.00 0.00 C ATOM 0 H ALA A 39 2.760 8.048 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 39 1.208 9.730 -6.503 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.095 8.324 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.367 8.789 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.680 7.148 -7.112 1.00 0.00 H new ATOM 560 N VAL A 40 0.077 6.674 -6.011 1.00 0.00 N ATOM 561 CA VAL A 40 -1.118 5.842 -6.040 1.00 0.00 C ATOM 562 C VAL A 40 -2.245 6.481 -5.231 1.00 0.00 C ATOM 563 O VAL A 40 -3.386 6.568 -5.695 1.00 0.00 O ATOM 564 CB VAL A 40 -0.820 4.433 -5.482 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.094 3.624 -5.325 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.162 3.702 -6.382 1.00 0.00 C ATOM 0 H VAL A 40 0.884 6.228 -5.576 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.433 5.754 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.372 4.551 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.852 2.637 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.767 4.135 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.579 3.518 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.361 2.711 -5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.263 3.605 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.094 4.265 -6.437 1.00 0.00 H new ATOM 576 N VAL A 41 -1.905 6.930 -4.028 1.00 0.00 N ATOM 577 CA VAL A 41 -2.865 7.567 -3.130 1.00 0.00 C ATOM 578 C VAL A 41 -3.612 8.708 -3.822 1.00 0.00 C ATOM 579 O VAL A 41 -4.841 8.739 -3.835 1.00 0.00 O ATOM 580 CB VAL A 41 -2.160 8.116 -1.867 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.102 8.972 -1.034 1.00 0.00 C ATOM 582 CG2 VAL A 41 -1.599 6.976 -1.029 1.00 0.00 C ATOM 0 H VAL A 41 -0.961 6.864 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.584 6.801 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.335 8.748 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.575 9.342 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.450 9.816 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.957 8.373 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.107 7.382 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.411 6.317 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.877 6.412 -1.619 1.00 0.00 H new ATOM 592 N ASN A 42 -2.862 9.620 -4.427 1.00 0.00 N ATOM 593 CA ASN A 42 -3.446 10.817 -5.027 1.00 0.00 C ATOM 594 C ASN A 42 -4.034 10.536 -6.407 1.00 0.00 C ATOM 595 O ASN A 42 -4.529 11.445 -7.069 1.00 0.00 O ATOM 596 CB ASN A 42 -2.403 11.933 -5.125 1.00 0.00 C ATOM 597 CG ASN A 42 -2.076 12.549 -3.778 1.00 0.00 C ATOM 598 OD1 ASN A 42 -2.713 13.516 -3.354 1.00 0.00 O ATOM 599 ND2 ASN A 42 -1.081 11.999 -3.096 1.00 0.00 N ATOM 0 H ASN A 42 -1.848 9.556 -4.516 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.259 11.138 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.491 11.534 -5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.770 12.710 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.818 12.375 -2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.579 11.200 -3.482 1.00 0.00 H new ATOM 606 N ASP A 43 -3.982 9.285 -6.843 1.00 0.00 N ATOM 607 CA ASP A 43 -4.505 8.926 -8.154 1.00 0.00 C ATOM 608 C ASP A 43 -5.882 8.286 -8.022 1.00 0.00 C ATOM 609 O ASP A 43 -6.847 8.728 -8.641 1.00 0.00 O ATOM 610 CB ASP A 43 -3.544 7.984 -8.885 1.00 0.00 C ATOM 611 CG ASP A 43 -3.813 7.934 -10.377 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.582 8.958 -11.061 1.00 0.00 O ATOM 613 OD2 ASP A 43 -4.230 6.873 -10.881 1.00 0.00 O ATOM 0 H ASP A 43 -3.587 8.508 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.601 9.838 -8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.518 8.310 -8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.634 6.981 -8.468 1.00 0.00 H new ATOM 618 N VAL A 44 -5.978 7.268 -7.176 1.00 0.00 N ATOM 619 CA VAL A 44 -7.232 6.536 -7.002 1.00 0.00 C ATOM 620 C VAL A 44 -8.105 7.160 -5.915 1.00 0.00 C ATOM 621 O VAL A 44 -9.184 6.653 -5.608 1.00 0.00 O ATOM 622 CB VAL A 44 -6.983 5.054 -6.661 1.00 0.00 C ATOM 623 CG1 VAL A 44 -6.235 4.371 -7.790 1.00 0.00 C ATOM 624 CG2 VAL A 44 -6.222 4.918 -5.352 1.00 0.00 C ATOM 0 H VAL A 44 -5.207 6.929 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.756 6.598 -7.956 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.949 4.564 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.067 3.325 -7.534 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.824 4.431 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.276 4.866 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.059 3.863 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.260 5.424 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.800 5.370 -4.546 1.00 0.00 H new ATOM 634 N LEU A 45 -7.633 8.265 -5.349 1.00 0.00 N ATOM 635 CA LEU A 45 -8.358 8.975 -4.295 1.00 0.00 C ATOM 636 C LEU A 45 -9.758 9.376 -4.760 1.00 0.00 C ATOM 637 O LEU A 45 -10.715 9.332 -3.989 1.00 0.00 O ATOM 638 CB LEU A 45 -7.572 10.222 -3.873 1.00 0.00 C ATOM 639 CG LEU A 45 -8.227 11.074 -2.785 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.370 10.286 -1.493 1.00 0.00 C ATOM 641 CD2 LEU A 45 -7.423 12.343 -2.552 1.00 0.00 C ATOM 0 H LEU A 45 -6.743 8.694 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.463 8.304 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.588 9.909 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.414 10.846 -4.753 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.225 11.352 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.838 10.913 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.989 9.407 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.385 9.973 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.901 12.939 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.413 12.081 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.378 12.920 -3.476 1.00 0.00 H new ATOM 653 N PHE A 46 -9.876 9.733 -6.033 1.00 0.00 N ATOM 654 CA PHE A 46 -11.132 10.237 -6.576 1.00 0.00 C ATOM 655 C PHE A 46 -12.097 9.096 -6.882 1.00 0.00 C ATOM 656 O PHE A 46 -13.261 9.322 -7.213 1.00 0.00 O ATOM 657 CB PHE A 46 -10.863 11.051 -7.843 1.00 0.00 C ATOM 658 CG PHE A 46 -9.767 12.064 -7.672 1.00 0.00 C ATOM 659 CD1 PHE A 46 -9.966 13.193 -6.895 1.00 0.00 C ATOM 660 CD2 PHE A 46 -8.537 11.882 -8.282 1.00 0.00 C ATOM 661 CE1 PHE A 46 -8.955 14.121 -6.728 1.00 0.00 C ATOM 662 CE2 PHE A 46 -7.524 12.805 -8.120 1.00 0.00 C ATOM 663 CZ PHE A 46 -7.733 13.928 -7.341 1.00 0.00 C ATOM 0 H PHE A 46 -9.115 9.683 -6.710 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.594 10.879 -5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.599 10.372 -8.654 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.779 11.562 -8.140 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.921 13.350 -6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.369 11.007 -8.892 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -9.121 14.997 -6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.569 12.650 -8.601 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.942 14.652 -7.212 1.00 0.00 H new ATOM 673 N ALA A 47 -11.613 7.868 -6.767 1.00 0.00 N ATOM 674 CA ALA A 47 -12.432 6.701 -7.048 1.00 0.00 C ATOM 675 C ALA A 47 -13.005 6.118 -5.761 1.00 0.00 C ATOM 676 O ALA A 47 -13.926 5.301 -5.787 1.00 0.00 O ATOM 677 CB ALA A 47 -11.615 5.663 -7.797 1.00 0.00 C ATOM 0 H ALA A 47 -10.657 7.655 -6.481 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.270 7.004 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.236 4.791 -8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.261 6.087 -8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.761 5.364 -7.189 1.00 0.00 H new ATOM 683 N VAL A 48 -12.460 6.561 -4.638 1.00 0.00 N ATOM 684 CA VAL A 48 -12.912 6.117 -3.326 1.00 0.00 C ATOM 685 C VAL A 48 -13.341 7.324 -2.497 1.00 0.00 C ATOM 686 O VAL A 48 -13.499 8.420 -3.034 1.00 0.00 O ATOM 687 CB VAL A 48 -11.815 5.326 -2.578 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.476 4.042 -3.320 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.567 6.172 -2.381 1.00 0.00 C ATOM 0 H VAL A 48 -11.695 7.235 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.760 5.447 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.205 5.064 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.702 3.501 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.368 3.420 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.115 4.284 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.812 5.590 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.176 6.476 -3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.816 7.058 -1.797 1.00 0.00 H new ATOM 699 N ASN A 49 -13.560 7.125 -1.204 1.00 0.00 N ATOM 700 CA ASN A 49 -13.945 8.231 -0.328 1.00 0.00 C ATOM 701 C ASN A 49 -12.736 8.781 0.426 1.00 0.00 C ATOM 702 O ASN A 49 -12.611 9.990 0.619 1.00 0.00 O ATOM 703 CB ASN A 49 -15.023 7.798 0.668 1.00 0.00 C ATOM 704 CG ASN A 49 -16.326 7.407 -0.004 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.628 7.842 -1.116 1.00 0.00 O ATOM 706 ND2 ASN A 49 -17.115 6.593 0.679 1.00 0.00 N ATOM 0 H ASN A 49 -13.480 6.220 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.352 9.019 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.654 6.955 1.251 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -15.211 8.612 1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.011 6.303 0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.827 6.255 1.597 1.00 0.00 H new ATOM 713 N ASN A 50 -11.852 7.892 0.853 1.00 0.00 N ATOM 714 CA ASN A 50 -10.649 8.293 1.579 1.00 0.00 C ATOM 715 C ASN A 50 -9.494 7.366 1.215 1.00 0.00 C ATOM 716 O ASN A 50 -9.712 6.190 0.929 1.00 0.00 O ATOM 717 CB ASN A 50 -10.906 8.271 3.093 1.00 0.00 C ATOM 718 CG ASN A 50 -9.711 8.738 3.909 1.00 0.00 C ATOM 719 OD1 ASN A 50 -8.898 9.537 3.443 1.00 0.00 O ATOM 720 ND2 ASN A 50 -9.605 8.253 5.138 1.00 0.00 N ATOM 0 H ASN A 50 -11.942 6.886 0.711 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.384 9.311 1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.763 8.906 3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.171 7.258 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.829 8.540 5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.300 7.593 5.487 1.00 0.00 H new ATOM 727 N MET A 51 -8.275 7.887 1.223 1.00 0.00 N ATOM 728 CA MET A 51 -7.118 7.114 0.787 1.00 0.00 C ATOM 729 C MET A 51 -5.829 7.793 1.239 1.00 0.00 C ATOM 730 O MET A 51 -5.572 8.939 0.868 1.00 0.00 O ATOM 731 CB MET A 51 -7.141 6.991 -0.743 1.00 0.00 C ATOM 732 CG MET A 51 -6.585 5.681 -1.279 1.00 0.00 C ATOM 733 SD MET A 51 -4.834 5.455 -0.941 1.00 0.00 S ATOM 734 CE MET A 51 -4.567 3.874 -1.731 1.00 0.00 C ATOM 0 H MET A 51 -8.061 8.837 1.525 1.00 0.00 H new ATOM 0 HA MET A 51 -7.159 6.120 1.233 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.169 7.103 -1.088 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.570 7.815 -1.170 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.142 4.853 -0.841 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.748 5.640 -2.356 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.392 3.112 -0.971 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.447 3.607 -2.317 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.699 3.937 -2.388 1.00 0.00 H new ATOM 744 N PHE A 52 -5.037 7.110 2.065 1.00 0.00 N ATOM 745 CA PHE A 52 -3.749 7.646 2.504 1.00 0.00 C ATOM 746 C PHE A 52 -2.859 6.542 3.076 1.00 0.00 C ATOM 747 O PHE A 52 -3.337 5.462 3.417 1.00 0.00 O ATOM 748 CB PHE A 52 -3.934 8.782 3.524 1.00 0.00 C ATOM 749 CG PHE A 52 -4.578 8.375 4.819 1.00 0.00 C ATOM 750 CD1 PHE A 52 -5.943 8.147 4.894 1.00 0.00 C ATOM 751 CD2 PHE A 52 -3.816 8.234 5.968 1.00 0.00 C ATOM 752 CE1 PHE A 52 -6.532 7.782 6.085 1.00 0.00 C ATOM 753 CE2 PHE A 52 -4.400 7.871 7.162 1.00 0.00 C ATOM 754 CZ PHE A 52 -5.761 7.645 7.222 1.00 0.00 C ATOM 0 H PHE A 52 -5.263 6.189 2.442 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.251 8.062 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.958 9.217 3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.537 9.566 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.552 8.257 4.009 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.751 8.411 5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.596 7.603 6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.794 7.763 8.050 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.222 7.362 8.157 1.00 0.00 H new ATOM 764 N VAL A 53 -1.565 6.831 3.177 1.00 0.00 N ATOM 765 CA VAL A 53 -0.581 5.867 3.679 1.00 0.00 C ATOM 766 C VAL A 53 -0.878 5.467 5.131 1.00 0.00 C ATOM 767 O VAL A 53 -1.442 6.251 5.897 1.00 0.00 O ATOM 768 CB VAL A 53 0.853 6.449 3.561 1.00 0.00 C ATOM 769 CG1 VAL A 53 0.997 7.714 4.394 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.905 5.421 3.954 1.00 0.00 C ATOM 0 H VAL A 53 -1.167 7.733 2.916 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.650 4.969 3.065 1.00 0.00 H new ATOM 0 HB VAL A 53 1.017 6.709 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.011 8.102 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.286 8.463 4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.798 7.485 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.897 5.862 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.742 5.110 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.829 4.554 3.298 1.00 0.00 H new ATOM 780 N SER A 54 -0.519 4.238 5.492 1.00 0.00 N ATOM 781 CA SER A 54 -0.744 3.737 6.840 1.00 0.00 C ATOM 782 C SER A 54 0.038 4.545 7.864 1.00 0.00 C ATOM 783 O SER A 54 1.124 5.055 7.575 1.00 0.00 O ATOM 784 CB SER A 54 -0.355 2.264 6.927 1.00 0.00 C ATOM 785 OG SER A 54 -1.077 1.497 5.978 1.00 0.00 O ATOM 0 H SER A 54 -0.070 3.570 4.865 1.00 0.00 H new ATOM 0 HA SER A 54 -1.806 3.840 7.065 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.715 2.155 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.553 1.889 7.931 1.00 0.00 H new ATOM 0 HG SER A 54 -1.204 0.588 6.321 1.00 0.00 H new ATOM 791 N LYS A 55 -0.507 4.651 9.066 1.00 0.00 N ATOM 792 CA LYS A 55 0.087 5.499 10.082 1.00 0.00 C ATOM 793 C LYS A 55 0.640 4.674 11.243 1.00 0.00 C ATOM 794 O LYS A 55 1.415 5.177 12.058 1.00 0.00 O ATOM 795 CB LYS A 55 -0.950 6.502 10.593 1.00 0.00 C ATOM 796 CG LYS A 55 -0.365 7.627 11.430 1.00 0.00 C ATOM 797 CD LYS A 55 0.651 8.440 10.642 1.00 0.00 C ATOM 798 CE LYS A 55 1.192 9.604 11.455 1.00 0.00 C ATOM 799 NZ LYS A 55 0.118 10.554 11.850 1.00 0.00 N ATOM 0 H LYS A 55 -1.354 4.163 9.358 1.00 0.00 H new ATOM 0 HA LYS A 55 0.920 6.038 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.474 6.933 9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.693 5.970 11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.167 8.280 11.774 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.111 7.211 12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.475 7.795 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.187 8.817 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.686 9.223 12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.948 10.132 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.545 11.446 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.498 10.741 11.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.445 10.140 12.620 1.00 0.00 H new ATOM 813 N SER A 56 0.279 3.398 11.303 1.00 0.00 N ATOM 814 CA SER A 56 0.654 2.573 12.443 1.00 0.00 C ATOM 815 C SER A 56 1.781 1.621 12.074 1.00 0.00 C ATOM 816 O SER A 56 2.108 0.708 12.832 1.00 0.00 O ATOM 817 CB SER A 56 -0.555 1.778 12.943 1.00 0.00 C ATOM 818 OG SER A 56 -1.650 2.634 13.225 1.00 0.00 O ATOM 0 H SER A 56 -0.265 2.918 10.586 1.00 0.00 H new ATOM 0 HA SER A 56 1.002 3.232 13.238 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.847 1.045 12.192 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.283 1.223 13.841 1.00 0.00 H new ATOM 0 HG SER A 56 -1.995 3.011 12.388 1.00 0.00 H new ATOM 824 N LEU A 57 2.388 1.846 10.915 1.00 0.00 N ATOM 825 CA LEU A 57 3.421 0.968 10.423 1.00 0.00 C ATOM 826 C LEU A 57 4.582 1.782 9.874 1.00 0.00 C ATOM 827 O LEU A 57 4.761 2.951 10.216 1.00 0.00 O ATOM 828 CB LEU A 57 2.858 0.041 9.338 1.00 0.00 C ATOM 829 CG LEU A 57 1.650 -0.802 9.757 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.353 -0.141 9.340 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.738 -2.188 9.165 1.00 0.00 C ATOM 0 H LEU A 57 2.176 2.634 10.303 1.00 0.00 H new ATOM 0 HA LEU A 57 3.784 0.355 11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.576 0.647 8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.652 -0.630 9.009 1.00 0.00 H new ATOM 0 HG LEU A 57 1.661 -0.882 10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.488 -0.761 9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.275 0.838 9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.337 -0.023 8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.871 -2.771 9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.759 -2.118 8.077 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.647 -2.676 9.515 1.00 0.00 H new ATOM 843 N ARG A 58 5.343 1.161 9.003 1.00 0.00 N ATOM 844 CA ARG A 58 6.561 1.755 8.476 1.00 0.00 C ATOM 845 C ARG A 58 6.663 1.540 6.975 1.00 0.00 C ATOM 846 O ARG A 58 6.051 0.626 6.428 1.00 0.00 O ATOM 847 CB ARG A 58 7.783 1.136 9.160 1.00 0.00 C ATOM 848 CG ARG A 58 7.877 -0.371 8.968 1.00 0.00 C ATOM 849 CD ARG A 58 9.073 -0.968 9.685 1.00 0.00 C ATOM 850 NE ARG A 58 9.138 -2.421 9.515 1.00 0.00 N ATOM 851 CZ ARG A 58 10.184 -3.167 9.871 1.00 0.00 C ATOM 852 NH1 ARG A 58 11.257 -2.603 10.418 1.00 0.00 N ATOM 853 NH2 ARG A 58 10.159 -4.482 9.684 1.00 0.00 N ATOM 0 H ARG A 58 5.140 0.231 8.637 1.00 0.00 H new ATOM 0 HA ARG A 58 6.530 2.826 8.676 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.686 1.603 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.746 1.359 10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.964 -0.840 9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.944 -0.596 7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.989 -0.516 9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.017 -0.728 10.747 1.00 0.00 H new ATOM 0 HE ARG A 58 8.334 -2.891 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.283 -1.594 10.567 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.054 -3.179 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.339 -4.922 9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.960 -5.051 9.957 1.00 0.00 H new ATOM 867 N CYS A 59 7.428 2.389 6.314 1.00 0.00 N ATOM 868 CA CYS A 59 7.745 2.198 4.914 1.00 0.00 C ATOM 869 C CYS A 59 9.229 1.883 4.773 1.00 0.00 C ATOM 870 O CYS A 59 10.064 2.785 4.666 1.00 0.00 O ATOM 871 CB CYS A 59 7.361 3.437 4.096 1.00 0.00 C ATOM 872 SG CYS A 59 8.007 4.991 4.759 1.00 0.00 S ATOM 0 H CYS A 59 7.843 3.223 6.729 1.00 0.00 H new ATOM 0 HA CYS A 59 7.168 1.360 4.524 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.723 3.312 3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.274 3.501 4.043 1.00 0.00 H new ATOM 0 HG CYS A 59 9.241 4.824 5.132 1.00 0.00 H new ATOM 878 N ALA A 60 9.555 0.603 4.800 1.00 0.00 N ATOM 879 CA ALA A 60 10.939 0.175 4.812 1.00 0.00 C ATOM 880 C ALA A 60 11.446 -0.031 3.397 1.00 0.00 C ATOM 881 O ALA A 60 11.458 -1.156 2.893 1.00 0.00 O ATOM 882 CB ALA A 60 11.100 -1.096 5.631 1.00 0.00 C ATOM 0 H ALA A 60 8.877 -0.159 4.814 1.00 0.00 H new ATOM 0 HA ALA A 60 11.536 0.959 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.146 -1.401 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.779 -0.911 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.490 -1.888 5.197 1.00 0.00 H new ATOM 888 N ASP A 61 11.818 1.075 2.759 1.00 0.00 N ATOM 889 CA ASP A 61 12.380 1.071 1.408 1.00 0.00 C ATOM 890 C ASP A 61 11.393 0.512 0.386 1.00 0.00 C ATOM 891 O ASP A 61 10.656 1.265 -0.251 1.00 0.00 O ATOM 892 CB ASP A 61 13.697 0.274 1.352 1.00 0.00 C ATOM 893 CG ASP A 61 14.847 0.952 2.081 1.00 0.00 C ATOM 894 OD1 ASP A 61 14.658 1.396 3.234 1.00 0.00 O ATOM 895 OD2 ASP A 61 15.958 1.017 1.511 1.00 0.00 O ATOM 0 H ASP A 61 11.738 2.007 3.166 1.00 0.00 H new ATOM 0 HA ASP A 61 12.587 2.110 1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.534 -0.713 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.977 0.122 0.310 1.00 0.00 H new ATOM 900 N ASP A 62 11.353 -0.808 0.274 1.00 0.00 N ATOM 901 CA ASP A 62 10.594 -1.478 -0.777 1.00 0.00 C ATOM 902 C ASP A 62 9.141 -1.669 -0.362 1.00 0.00 C ATOM 903 O ASP A 62 8.261 -1.807 -1.205 1.00 0.00 O ATOM 904 CB ASP A 62 11.224 -2.838 -1.096 1.00 0.00 C ATOM 905 CG ASP A 62 10.594 -3.515 -2.302 1.00 0.00 C ATOM 906 OD1 ASP A 62 10.924 -3.121 -3.439 1.00 0.00 O ATOM 907 OD2 ASP A 62 9.794 -4.464 -2.119 1.00 0.00 O ATOM 0 H ASP A 62 11.842 -1.443 0.904 1.00 0.00 H new ATOM 0 HA ASP A 62 10.620 -0.850 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.291 -2.705 -1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.127 -3.490 -0.228 1.00 0.00 H new ATOM 912 N VAL A 63 8.890 -1.659 0.940 1.00 0.00 N ATOM 913 CA VAL A 63 7.549 -1.903 1.448 1.00 0.00 C ATOM 914 C VAL A 63 6.890 -0.612 1.933 1.00 0.00 C ATOM 915 O VAL A 63 7.464 0.143 2.721 1.00 0.00 O ATOM 916 CB VAL A 63 7.546 -2.959 2.583 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.360 -2.490 3.778 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.124 -3.299 3.000 1.00 0.00 C ATOM 0 H VAL A 63 9.593 -1.486 1.659 1.00 0.00 H new ATOM 0 HA VAL A 63 6.967 -2.297 0.615 1.00 0.00 H new ATOM 0 HB VAL A 63 8.016 -3.863 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.337 -3.253 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.391 -2.316 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.936 -1.564 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.146 -4.042 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.624 -2.398 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.580 -3.701 2.145 1.00 0.00 H new ATOM 928 N ALA A 64 5.700 -0.348 1.426 1.00 0.00 N ATOM 929 CA ALA A 64 4.895 0.769 1.896 1.00 0.00 C ATOM 930 C ALA A 64 3.460 0.323 2.140 1.00 0.00 C ATOM 931 O ALA A 64 2.783 -0.138 1.224 1.00 0.00 O ATOM 932 CB ALA A 64 4.931 1.911 0.891 1.00 0.00 C ATOM 0 H ALA A 64 5.265 -0.895 0.683 1.00 0.00 H new ATOM 0 HA ALA A 64 5.313 1.124 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.324 2.738 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.959 2.247 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.536 1.567 -0.065 1.00 0.00 H new ATOM 938 N TYR A 65 3.005 0.442 3.381 1.00 0.00 N ATOM 939 CA TYR A 65 1.638 0.084 3.727 1.00 0.00 C ATOM 940 C TYR A 65 0.720 1.278 3.500 1.00 0.00 C ATOM 941 O TYR A 65 1.044 2.399 3.889 1.00 0.00 O ATOM 942 CB TYR A 65 1.544 -0.366 5.187 1.00 0.00 C ATOM 943 CG TYR A 65 2.432 -1.542 5.538 1.00 0.00 C ATOM 944 CD1 TYR A 65 3.727 -1.338 5.995 1.00 0.00 C ATOM 945 CD2 TYR A 65 1.971 -2.848 5.431 1.00 0.00 C ATOM 946 CE1 TYR A 65 4.540 -2.401 6.331 1.00 0.00 C ATOM 947 CE2 TYR A 65 2.780 -3.918 5.769 1.00 0.00 C ATOM 948 CZ TYR A 65 4.063 -3.688 6.218 1.00 0.00 C ATOM 949 OH TYR A 65 4.873 -4.747 6.558 1.00 0.00 O ATOM 0 H TYR A 65 3.563 0.784 4.163 1.00 0.00 H new ATOM 0 HA TYR A 65 1.328 -0.744 3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.803 0.474 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.509 -0.629 5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.104 -0.330 6.089 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.966 -3.031 5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.546 -2.224 6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.408 -4.928 5.682 1.00 0.00 H new ATOM 0 HH TYR A 65 4.387 -5.587 6.423 1.00 0.00 H new ATOM 959 N ILE A 66 -0.414 1.042 2.859 1.00 0.00 N ATOM 960 CA ILE A 66 -1.366 2.107 2.573 1.00 0.00 C ATOM 961 C ILE A 66 -2.771 1.699 3.014 1.00 0.00 C ATOM 962 O ILE A 66 -3.136 0.527 2.926 1.00 0.00 O ATOM 963 CB ILE A 66 -1.396 2.443 1.063 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.023 2.637 0.520 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.220 3.698 0.817 1.00 0.00 C ATOM 966 CD1 ILE A 66 0.080 2.794 -0.985 1.00 0.00 C ATOM 0 H ILE A 66 -0.699 0.121 2.526 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.044 2.989 3.127 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.857 1.606 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.464 3.518 0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.634 1.783 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.232 3.922 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.240 3.538 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.779 4.535 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.116 2.927 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.331 1.903 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.504 3.665 -1.282 1.00 0.00 H new ATOM 978 N ASN A 67 -3.550 2.661 3.496 1.00 0.00 N ATOM 979 CA ASN A 67 -4.945 2.412 3.846 1.00 0.00 C ATOM 980 C ASN A 67 -5.864 3.016 2.798 1.00 0.00 C ATOM 981 O ASN A 67 -5.636 4.129 2.322 1.00 0.00 O ATOM 982 CB ASN A 67 -5.313 3.000 5.212 1.00 0.00 C ATOM 983 CG ASN A 67 -4.745 2.217 6.376 1.00 0.00 C ATOM 984 OD1 ASN A 67 -5.307 1.205 6.790 1.00 0.00 O ATOM 985 ND2 ASN A 67 -3.655 2.703 6.939 1.00 0.00 N ATOM 0 H ASN A 67 -3.240 3.620 3.653 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.071 1.330 3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.954 4.028 5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.399 3.036 5.303 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.248 2.236 7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.220 3.546 6.564 1.00 0.00 H new ATOM 992 N VAL A 68 -6.909 2.292 2.452 1.00 0.00 N ATOM 993 CA VAL A 68 -7.865 2.773 1.470 1.00 0.00 C ATOM 994 C VAL A 68 -9.291 2.571 1.966 1.00 0.00 C ATOM 995 O VAL A 68 -9.632 1.520 2.507 1.00 0.00 O ATOM 996 CB VAL A 68 -7.663 2.091 0.093 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.771 0.579 0.206 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.655 2.625 -0.931 1.00 0.00 C ATOM 0 H VAL A 68 -7.119 1.370 2.834 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.691 3.841 1.336 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.657 2.332 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.625 0.129 -0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.008 0.210 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.758 0.312 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.492 2.130 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.671 2.429 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.513 3.699 -1.049 1.00 0.00 H new ATOM 1008 N GLU A 69 -10.099 3.606 1.813 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.499 3.567 2.196 1.00 0.00 C ATOM 1010 C GLU A 69 -12.360 3.769 0.956 1.00 0.00 C ATOM 1011 O GLU A 69 -12.491 4.889 0.452 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.794 4.649 3.243 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.225 4.646 3.762 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.448 5.681 4.848 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.110 5.400 6.017 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.958 6.780 4.543 1.00 0.00 O ATOM 0 H GLU A 69 -9.802 4.499 1.419 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.730 2.598 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.114 4.518 4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.579 5.626 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.909 4.838 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.465 3.657 4.152 1.00 0.00 H new ATOM 1023 N THR A 70 -12.914 2.677 0.456 1.00 0.00 N ATOM 1024 CA THR A 70 -13.681 2.696 -0.778 1.00 0.00 C ATOM 1025 C THR A 70 -15.017 3.417 -0.596 1.00 0.00 C ATOM 1026 O THR A 70 -15.316 3.929 0.483 1.00 0.00 O ATOM 1027 CB THR A 70 -13.920 1.265 -1.289 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.646 0.503 -0.313 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.598 0.575 -1.588 1.00 0.00 C ATOM 0 H THR A 70 -12.845 1.757 0.891 1.00 0.00 H new ATOM 0 HA THR A 70 -13.098 3.245 -1.518 1.00 0.00 H new ATOM 0 HB THR A 70 -14.504 1.326 -2.207 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.968 -0.328 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.789 -0.436 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.059 1.136 -2.351 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.998 0.529 -0.679 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.826 3.445 -1.648 1.00 0.00 N ATOM 1038 CA LYS A 71 -17.091 4.166 -1.611 1.00 0.00 C ATOM 1039 C LYS A 71 -18.150 3.376 -0.858 1.00 0.00 C ATOM 1040 O LYS A 71 -19.135 3.938 -0.379 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.559 4.511 -3.022 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.688 5.565 -3.678 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.252 6.018 -5.008 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.562 7.288 -5.485 1.00 0.00 C ATOM 1045 NZ LYS A 71 -16.630 8.370 -4.460 1.00 0.00 N ATOM 0 H LYS A 71 -15.629 2.979 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.932 5.100 -1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.556 3.609 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.589 4.867 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.594 6.423 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.685 5.165 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.124 5.229 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.323 6.195 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.519 7.071 -5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.029 7.631 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.553 9.296 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.536 8.312 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.848 8.257 -3.784 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.937 2.075 -0.743 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.777 1.240 0.106 1.00 0.00 C ATOM 1061 C GLU A 72 -18.250 1.314 1.536 1.00 0.00 C ATOM 1062 O GLU A 72 -18.745 0.633 2.437 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.795 -0.222 -0.364 1.00 0.00 C ATOM 1064 CG GLU A 72 -18.498 -0.427 -1.842 1.00 0.00 C ATOM 1065 CD GLU A 72 -17.021 -0.305 -2.148 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -16.245 -1.154 -1.663 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -16.632 0.652 -2.845 1.00 0.00 O ATOM 0 H GLU A 72 -17.191 1.573 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.800 1.612 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.065 -0.784 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.774 -0.647 -0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -18.851 -1.411 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.051 0.307 -2.428 1.00 0.00 H new ATOM 1074 N ARG A 73 -17.219 2.143 1.707 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.582 2.392 2.998 1.00 0.00 C ATOM 1076 C ARG A 73 -15.914 1.145 3.556 1.00 0.00 C ATOM 1077 O ARG A 73 -15.868 0.940 4.768 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.574 2.985 3.999 1.00 0.00 C ATOM 1079 CG ARG A 73 -17.941 4.420 3.671 1.00 0.00 C ATOM 1080 CD ARG A 73 -18.767 5.067 4.769 1.00 0.00 C ATOM 1081 NE ARG A 73 -18.976 6.491 4.510 1.00 0.00 N ATOM 1082 CZ ARG A 73 -19.996 7.203 4.989 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -20.866 6.650 5.829 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -20.126 8.479 4.650 1.00 0.00 N ATOM 0 H ARG A 73 -16.798 2.667 0.940 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.795 3.127 2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.478 2.376 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.145 2.943 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.031 4.999 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.500 4.445 2.736 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -19.731 4.564 4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -18.264 4.940 5.728 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.295 6.972 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -20.755 5.676 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.644 7.200 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.447 8.912 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.905 9.027 5.015 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.360 0.336 2.667 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.553 -0.796 3.087 1.00 0.00 C ATOM 1100 C ASN A 74 -13.108 -0.352 3.213 1.00 0.00 C ATOM 1101 O ASN A 74 -12.580 0.316 2.322 1.00 0.00 O ATOM 1102 CB ASN A 74 -14.641 -1.969 2.099 1.00 0.00 C ATOM 1103 CG ASN A 74 -16.030 -2.566 2.000 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -16.467 -3.305 2.883 1.00 0.00 O ATOM 1105 ND2 ASN A 74 -16.718 -2.296 0.903 1.00 0.00 N ATOM 0 H ASN A 74 -15.454 0.442 1.657 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.936 -1.144 4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.328 -1.628 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.940 -2.746 2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.643 -2.705 0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.324 -1.679 0.193 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.478 -0.704 4.316 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.078 -0.379 4.517 1.00 0.00 C ATOM 1114 C ARG A 75 -10.209 -1.552 4.109 1.00 0.00 C ATOM 1115 O ARG A 75 -10.515 -2.699 4.419 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.789 -0.005 5.976 1.00 0.00 C ATOM 1117 CG ARG A 75 -10.747 1.494 6.239 1.00 0.00 C ATOM 1118 CD ARG A 75 -12.138 2.098 6.320 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.863 1.631 7.501 1.00 0.00 N ATOM 1120 CZ ARG A 75 -13.807 2.336 8.125 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -14.095 3.567 7.727 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -14.432 1.822 9.172 1.00 0.00 N ATOM 0 H ARG A 75 -12.911 -1.214 5.086 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.845 0.485 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.552 -0.453 6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.834 -0.441 6.269 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.215 1.683 7.171 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.184 1.985 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.062 3.185 6.346 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.700 1.839 5.422 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.632 0.709 7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.594 3.979 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.818 4.102 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.191 0.887 9.501 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.154 2.361 9.650 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.151 -1.258 3.381 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.187 -2.272 2.999 1.00 0.00 C ATOM 1138 C TYR A 76 -6.783 -1.802 3.342 1.00 0.00 C ATOM 1139 O TYR A 76 -6.472 -0.617 3.208 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.268 -2.581 1.500 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.621 -3.065 1.028 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -10.032 -4.372 1.256 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -10.484 -2.217 0.342 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.263 -4.820 0.817 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -11.717 -2.657 -0.099 1.00 0.00 C ATOM 1146 CZ TYR A 76 -12.101 -3.956 0.141 1.00 0.00 C ATOM 1147 OH TYR A 76 -13.328 -4.398 -0.302 1.00 0.00 O ATOM 0 H TYR A 76 -8.936 -0.321 3.040 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.420 -3.183 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.004 -1.682 0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.522 -3.337 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.378 -5.049 1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.185 -1.197 0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.568 -5.840 1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.376 -1.985 -0.629 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.416 -4.214 -1.260 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.954 -2.725 3.796 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.556 -2.435 4.057 1.00 0.00 C ATOM 1159 C CYS A 77 -3.704 -3.028 2.946 1.00 0.00 C ATOM 1160 O CYS A 77 -3.724 -4.242 2.713 1.00 0.00 O ATOM 1161 CB CYS A 77 -4.132 -2.995 5.413 1.00 0.00 C ATOM 1162 SG CYS A 77 -5.034 -2.290 6.812 1.00 0.00 S ATOM 0 H CYS A 77 -6.228 -3.688 3.993 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.415 -1.355 4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.274 -4.076 5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.066 -2.814 5.552 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.259 -2.040 6.457 1.00 0.00 H new ATOM 1168 N LEU A 78 -2.974 -2.177 2.249 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.231 -2.607 1.084 1.00 0.00 C ATOM 1170 C LEU A 78 -0.735 -2.560 1.333 1.00 0.00 C ATOM 1171 O LEU A 78 -0.208 -1.590 1.876 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.594 -1.736 -0.118 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.094 -1.632 -0.399 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.352 -0.720 -1.584 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.691 -3.011 -0.643 1.00 0.00 C ATOM 0 H LEU A 78 -2.881 -1.186 2.471 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.502 -3.642 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.198 -0.734 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.099 -2.136 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.578 -1.201 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.424 -0.658 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.963 0.275 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.854 -1.121 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.759 -2.915 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.203 -3.472 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.540 -3.634 0.238 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.074 -3.629 0.939 1.00 0.00 N ATOM 1188 CA GLU A 79 1.367 -3.745 1.028 1.00 0.00 C ATOM 1189 C GLU A 79 1.973 -3.481 -0.346 1.00 0.00 C ATOM 1190 O GLU A 79 1.972 -4.356 -1.214 1.00 0.00 O ATOM 1191 CB GLU A 79 1.737 -5.153 1.509 1.00 0.00 C ATOM 1192 CG GLU A 79 3.222 -5.375 1.748 1.00 0.00 C ATOM 1193 CD GLU A 79 3.555 -6.836 1.994 1.00 0.00 C ATOM 1194 OE1 GLU A 79 3.068 -7.406 2.994 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.289 -7.427 1.182 1.00 0.00 O ATOM 0 H GLU A 79 -0.528 -4.452 0.543 1.00 0.00 H new ATOM 0 HA GLU A 79 1.757 -3.016 1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.200 -5.358 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.390 -5.877 0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.784 -5.017 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.542 -4.783 2.605 1.00 0.00 H new ATOM 1202 N LEU A 80 2.438 -2.264 -0.558 1.00 0.00 N ATOM 1203 CA LEU A 80 3.050 -1.900 -1.826 1.00 0.00 C ATOM 1204 C LEU A 80 4.532 -2.238 -1.802 1.00 0.00 C ATOM 1205 O LEU A 80 5.278 -1.722 -0.970 1.00 0.00 O ATOM 1206 CB LEU A 80 2.843 -0.408 -2.112 1.00 0.00 C ATOM 1207 CG LEU A 80 3.467 0.103 -3.415 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.909 -0.648 -4.612 1.00 0.00 C ATOM 1209 CD2 LEU A 80 3.227 1.597 -3.568 1.00 0.00 C ATOM 0 H LEU A 80 2.405 -1.511 0.129 1.00 0.00 H new ATOM 0 HA LEU A 80 2.573 -2.469 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.772 -0.205 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.256 0.165 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 80 4.541 -0.075 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.367 -0.268 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.130 -1.710 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.830 -0.505 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.676 1.944 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.155 1.793 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.677 2.126 -2.728 1.00 0.00 H new ATOM 1221 N THR A 81 4.943 -3.121 -2.700 1.00 0.00 N ATOM 1222 CA THR A 81 6.327 -3.564 -2.768 1.00 0.00 C ATOM 1223 C THR A 81 6.767 -3.707 -4.218 1.00 0.00 C ATOM 1224 O THR A 81 6.030 -3.336 -5.135 1.00 0.00 O ATOM 1225 CB THR A 81 6.508 -4.917 -2.059 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.500 -5.835 -2.504 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.432 -4.771 -0.548 1.00 0.00 C ATOM 0 H THR A 81 4.332 -3.547 -3.397 1.00 0.00 H new ATOM 0 HA THR A 81 6.939 -2.813 -2.268 1.00 0.00 H new ATOM 0 HB THR A 81 7.497 -5.298 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.619 -6.696 -2.052 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.564 -5.747 -0.081 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.218 -4.097 -0.208 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.460 -4.365 -0.270 1.00 0.00 H new ATOM 1235 N GLU A 82 7.961 -4.259 -4.424 1.00 0.00 N ATOM 1236 CA GLU A 82 8.463 -4.548 -5.766 1.00 0.00 C ATOM 1237 C GLU A 82 7.507 -5.470 -6.524 1.00 0.00 C ATOM 1238 O GLU A 82 7.478 -5.478 -7.755 1.00 0.00 O ATOM 1239 CB GLU A 82 9.837 -5.217 -5.685 1.00 0.00 C ATOM 1240 CG GLU A 82 9.799 -6.593 -5.032 1.00 0.00 C ATOM 1241 CD GLU A 82 11.134 -7.300 -5.067 1.00 0.00 C ATOM 1242 OE1 GLU A 82 11.531 -7.777 -6.152 1.00 0.00 O ATOM 1243 OE2 GLU A 82 11.780 -7.404 -4.006 1.00 0.00 O ATOM 0 H GLU A 82 8.602 -4.516 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 82 8.543 -3.601 -6.300 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.248 -5.311 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.514 -4.574 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.476 -6.489 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.055 -7.208 -5.537 1.00 0.00 H new ATOM 1250 N ALA A 83 6.723 -6.242 -5.776 1.00 0.00 N ATOM 1251 CA ALA A 83 5.835 -7.232 -6.366 1.00 0.00 C ATOM 1252 C ALA A 83 4.471 -6.636 -6.695 1.00 0.00 C ATOM 1253 O ALA A 83 3.587 -7.332 -7.187 1.00 0.00 O ATOM 1254 CB ALA A 83 5.690 -8.430 -5.435 1.00 0.00 C ATOM 0 H ALA A 83 6.687 -6.198 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 83 6.279 -7.566 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.023 -9.164 -5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.668 -8.882 -5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.275 -8.102 -4.482 1.00 0.00 H new ATOM 1260 N GLY A 84 4.302 -5.349 -6.424 1.00 0.00 N ATOM 1261 CA GLY A 84 3.055 -4.684 -6.739 1.00 0.00 C ATOM 1262 C GLY A 84 2.257 -4.366 -5.497 1.00 0.00 C ATOM 1263 O GLY A 84 2.828 -4.075 -4.444 1.00 0.00 O ATOM 0 H GLY A 84 5.008 -4.753 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.262 -3.763 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.462 -5.317 -7.399 1.00 0.00 H new ATOM 1267 N LEU A 85 0.940 -4.425 -5.608 1.00 0.00 N ATOM 1268 CA LEU A 85 0.077 -4.134 -4.473 1.00 0.00 C ATOM 1269 C LEU A 85 -0.554 -5.407 -3.929 1.00 0.00 C ATOM 1270 O LEU A 85 -1.224 -6.152 -4.649 1.00 0.00 O ATOM 1271 CB LEU A 85 -1.014 -3.119 -4.832 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.524 -1.703 -5.160 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -0.045 -1.612 -6.600 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -1.620 -0.681 -4.895 1.00 0.00 C ATOM 0 H LEU A 85 0.447 -4.670 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 85 0.706 -3.693 -3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.570 -3.499 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.715 -3.057 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 85 0.321 -1.480 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.297 -0.598 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.777 -2.311 -6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.865 -1.862 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.252 0.317 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.486 -0.907 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.907 -0.720 -3.844 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.319 -5.645 -2.655 1.00 0.00 N ATOM 1287 CA LYS A 86 -0.814 -6.826 -1.967 1.00 0.00 C ATOM 1288 C LYS A 86 -1.834 -6.417 -0.907 1.00 0.00 C ATOM 1289 O LYS A 86 -1.768 -5.315 -0.382 1.00 0.00 O ATOM 1290 CB LYS A 86 0.383 -7.531 -1.327 1.00 0.00 C ATOM 1291 CG LYS A 86 0.048 -8.617 -0.319 1.00 0.00 C ATOM 1292 CD LYS A 86 1.301 -9.024 0.441 1.00 0.00 C ATOM 1293 CE LYS A 86 0.989 -9.855 1.672 1.00 0.00 C ATOM 1294 NZ LYS A 86 2.170 -9.957 2.569 1.00 0.00 N ATOM 0 H LYS A 86 0.225 -5.020 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.310 -7.501 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.988 -7.971 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.001 -6.781 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.709 -8.257 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.374 -9.482 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.955 -9.592 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.848 -8.130 0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.156 -9.407 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.673 -10.853 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.936 -10.559 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.967 -10.375 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.435 -9.009 2.904 1.00 0.00 H new ATOM 1308 N VAL A 87 -2.787 -7.284 -0.608 1.00 0.00 N ATOM 1309 CA VAL A 87 -3.727 -7.022 0.474 1.00 0.00 C ATOM 1310 C VAL A 87 -3.262 -7.744 1.736 1.00 0.00 C ATOM 1311 O VAL A 87 -3.022 -8.951 1.715 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.162 -7.474 0.115 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.125 -7.197 1.264 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -5.639 -6.790 -1.158 1.00 0.00 C ATOM 0 H VAL A 87 -2.932 -8.169 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.752 -5.945 0.643 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.142 -8.550 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.127 -7.524 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.799 -7.740 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.138 -6.128 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.650 -7.122 -1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.636 -5.710 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.973 -7.048 -1.981 1.00 0.00 H new ATOM 1324 N VAL A 88 -3.103 -7.006 2.828 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.647 -7.600 4.080 1.00 0.00 C ATOM 1326 C VAL A 88 -3.726 -7.546 5.153 1.00 0.00 C ATOM 1327 O VAL A 88 -3.496 -7.937 6.297 1.00 0.00 O ATOM 1328 CB VAL A 88 -1.369 -6.918 4.607 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.203 -7.182 3.673 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -1.581 -5.423 4.786 1.00 0.00 C ATOM 0 H VAL A 88 -3.281 -6.003 2.873 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.421 -8.643 3.858 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.137 -7.344 5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.691 -6.693 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.028 -8.256 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.433 -6.787 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.664 -4.967 5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.845 -4.976 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.387 -5.253 5.500 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.905 -7.071 4.779 1.00 0.00 N ATOM 1341 CA GLY A 89 -6.001 -6.999 5.717 1.00 0.00 C ATOM 1342 C GLY A 89 -7.101 -6.084 5.236 1.00 0.00 C ATOM 1343 O GLY A 89 -6.905 -5.307 4.301 1.00 0.00 O ATOM 0 H GLY A 89 -5.120 -6.734 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.406 -7.998 5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.631 -6.646 6.680 1.00 0.00 H new ATOM 1347 N TYR A 90 -8.260 -6.173 5.866 1.00 0.00 N ATOM 1348 CA TYR A 90 -9.385 -5.324 5.508 1.00 0.00 C ATOM 1349 C TYR A 90 -9.905 -4.583 6.731 1.00 0.00 C ATOM 1350 O TYR A 90 -10.923 -4.938 7.325 1.00 0.00 O ATOM 1351 CB TYR A 90 -10.502 -6.117 4.804 1.00 0.00 C ATOM 1352 CG TYR A 90 -10.840 -7.452 5.433 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.092 -8.585 5.138 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -11.912 -7.584 6.305 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.400 -9.809 5.696 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -12.224 -8.804 6.869 1.00 0.00 C ATOM 1357 CZ TYR A 90 -11.467 -9.913 6.561 1.00 0.00 C ATOM 1358 OH TYR A 90 -11.779 -11.129 7.120 1.00 0.00 O ATOM 0 H TYR A 90 -8.447 -6.824 6.628 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.030 -4.584 4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.403 -5.504 4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.208 -6.286 3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -9.255 -8.506 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.511 -6.718 6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.808 -10.680 5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.058 -8.889 7.549 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.557 -11.029 7.707 1.00 0.00 H new ATOM 1368 N ALA A 91 -9.151 -3.570 7.116 1.00 0.00 N ATOM 1369 CA ALA A 91 -9.500 -2.695 8.220 1.00 0.00 C ATOM 1370 C ALA A 91 -8.609 -1.467 8.157 1.00 0.00 C ATOM 1371 O ALA A 91 -7.858 -1.300 7.195 1.00 0.00 O ATOM 1372 CB ALA A 91 -9.345 -3.415 9.557 1.00 0.00 C ATOM 0 H ALA A 91 -8.268 -3.329 6.665 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.545 -2.396 8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.613 -2.738 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.001 -4.285 9.580 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.311 -3.737 9.679 1.00 0.00 H new ATOM 1378 N PHE A 92 -8.692 -0.605 9.154 1.00 0.00 N ATOM 1379 CA PHE A 92 -7.830 0.563 9.203 1.00 0.00 C ATOM 1380 C PHE A 92 -6.580 0.249 10.017 1.00 0.00 C ATOM 1381 O PHE A 92 -6.651 0.080 11.238 1.00 0.00 O ATOM 1382 CB PHE A 92 -8.579 1.763 9.784 1.00 0.00 C ATOM 1383 CG PHE A 92 -7.781 3.032 9.760 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -7.324 3.554 8.560 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -7.488 3.700 10.934 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -6.590 4.723 8.538 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -6.756 4.868 10.917 1.00 0.00 C ATOM 1388 CZ PHE A 92 -6.305 5.380 9.718 1.00 0.00 C ATOM 0 H PHE A 92 -9.342 -0.690 9.935 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.527 0.823 8.189 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -9.502 1.912 9.223 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.864 1.541 10.813 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.544 3.042 7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.837 3.302 11.876 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.239 5.123 7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.536 5.382 11.841 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.730 6.294 9.703 1.00 0.00 H new ATOM 1398 N ASP A 93 -5.446 0.165 9.322 1.00 0.00 N ATOM 1399 CA ASP A 93 -4.175 -0.250 9.917 1.00 0.00 C ATOM 1400 C ASP A 93 -4.306 -1.614 10.585 1.00 0.00 C ATOM 1401 O ASP A 93 -4.281 -1.726 11.810 1.00 0.00 O ATOM 1402 CB ASP A 93 -3.648 0.782 10.925 1.00 0.00 C ATOM 1403 CG ASP A 93 -2.954 1.962 10.268 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -2.461 1.818 9.133 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -2.879 3.038 10.900 1.00 0.00 O ATOM 0 H ASP A 93 -5.382 0.383 8.328 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.453 -0.322 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.479 1.148 11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.951 0.292 11.605 1.00 0.00 H new ATOM 1410 N GLN A 94 -4.470 -2.646 9.768 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.605 -4.003 10.267 1.00 0.00 C ATOM 1412 C GLN A 94 -3.922 -4.980 9.325 1.00 0.00 C ATOM 1413 O GLN A 94 -4.427 -5.278 8.245 1.00 0.00 O ATOM 1414 CB GLN A 94 -6.079 -4.388 10.427 1.00 0.00 C ATOM 1415 CG GLN A 94 -6.275 -5.719 11.136 1.00 0.00 C ATOM 1416 CD GLN A 94 -5.697 -5.727 12.543 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -5.735 -4.585 13.213 1.00 0.00 O flip ATOM 1418 NE2 GLN A 94 -5.228 -6.757 13.026 1.00 0.00 N flip ATOM 0 H GLN A 94 -4.513 -2.566 8.752 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.127 -4.049 11.246 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.594 -3.606 10.986 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.545 -4.436 9.443 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.340 -5.947 11.184 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.806 -6.510 10.551 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.216 -7.618 12.479 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.851 -6.750 13.974 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.762 -5.456 9.733 1.00 0.00 N ATOM 1428 CA VAL A 95 -2.014 -6.419 8.948 1.00 0.00 C ATOM 1429 C VAL A 95 -2.118 -7.799 9.580 1.00 0.00 C ATOM 1430 O VAL A 95 -1.774 -7.985 10.746 1.00 0.00 O ATOM 1431 CB VAL A 95 -0.534 -6.002 8.823 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.270 -7.034 8.052 1.00 0.00 C ATOM 1433 CG2 VAL A 95 -0.429 -4.646 8.150 1.00 0.00 C ATOM 0 H VAL A 95 -2.314 -5.189 10.610 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.443 -6.450 7.947 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.117 -5.937 9.828 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.308 -6.709 7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.224 -7.992 8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.144 -7.143 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.620 -4.361 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.871 -4.699 7.155 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.961 -3.903 8.744 1.00 0.00 H new ATOM 1443 N ASP A 96 -2.626 -8.753 8.819 1.00 0.00 N ATOM 1444 CA ASP A 96 -2.794 -10.111 9.306 1.00 0.00 C ATOM 1445 C ASP A 96 -2.090 -11.091 8.379 1.00 0.00 C ATOM 1446 O ASP A 96 -2.342 -11.114 7.172 1.00 0.00 O ATOM 1447 CB ASP A 96 -4.284 -10.450 9.426 1.00 0.00 C ATOM 1448 CG ASP A 96 -4.535 -11.831 10.005 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -3.685 -12.330 10.767 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -5.595 -12.418 9.721 1.00 0.00 O ATOM 0 H ASP A 96 -2.931 -8.611 7.856 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.344 -10.191 10.296 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.771 -9.705 10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.746 -10.386 8.441 1.00 0.00 H new ATOM 1455 N ASP A 97 -1.207 -11.901 8.947 1.00 0.00 N ATOM 1456 CA ASP A 97 -0.397 -12.836 8.171 1.00 0.00 C ATOM 1457 C ASP A 97 -1.228 -13.993 7.632 1.00 0.00 C ATOM 1458 O ASP A 97 -0.724 -14.829 6.879 1.00 0.00 O ATOM 1459 CB ASP A 97 0.765 -13.375 9.009 1.00 0.00 C ATOM 1460 CG ASP A 97 1.948 -12.426 9.055 1.00 0.00 C ATOM 1461 OD1 ASP A 97 2.827 -12.532 8.175 1.00 0.00 O ATOM 1462 OD2 ASP A 97 2.011 -11.574 9.967 1.00 0.00 O ATOM 0 H ASP A 97 -1.031 -11.930 9.951 1.00 0.00 H new ATOM 0 HA ASP A 97 0.003 -12.283 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.417 -13.564 10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.089 -14.332 8.600 1.00 0.00 H new ATOM 1467 N HIS A 98 -2.501 -14.036 8.008 1.00 0.00 N ATOM 1468 CA HIS A 98 -3.416 -15.043 7.491 1.00 0.00 C ATOM 1469 C HIS A 98 -3.841 -14.669 6.082 1.00 0.00 C ATOM 1470 O HIS A 98 -4.315 -15.508 5.317 1.00 0.00 O ATOM 1471 CB HIS A 98 -4.655 -15.179 8.383 1.00 0.00 C ATOM 1472 CG HIS A 98 -4.377 -15.738 9.746 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -4.287 -14.955 10.875 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -4.200 -17.015 10.160 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -4.064 -15.723 11.925 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -4.010 -16.976 11.518 1.00 0.00 N ATOM 0 H HIS A 98 -2.922 -13.384 8.670 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.897 -16.002 7.481 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.118 -14.198 8.493 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -5.380 -15.820 7.882 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -4.378 -13.939 10.897 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.207 -17.898 9.538 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.946 -15.383 12.943 1.00 0.00 H new ATOM 1485 N LEU A 99 -3.665 -13.400 5.744 1.00 0.00 N ATOM 1486 CA LEU A 99 -4.014 -12.910 4.424 1.00 0.00 C ATOM 1487 C LEU A 99 -2.764 -12.713 3.575 1.00 0.00 C ATOM 1488 O LEU A 99 -1.938 -11.842 3.851 1.00 0.00 O ATOM 1489 CB LEU A 99 -4.803 -11.598 4.501 1.00 0.00 C ATOM 1490 CG LEU A 99 -6.269 -11.731 4.927 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -6.389 -12.002 6.417 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -7.047 -10.484 4.545 1.00 0.00 C ATOM 0 H LEU A 99 -3.281 -12.691 6.369 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.649 -13.662 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.299 -10.932 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.770 -11.117 3.524 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.696 -12.584 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.441 -12.091 6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.872 -12.930 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.940 -11.180 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.086 -10.595 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.611 -9.617 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.003 -10.344 3.465 1.00 0.00 H new ATOM 1504 N GLN A 100 -2.623 -13.543 2.553 1.00 0.00 N ATOM 1505 CA GLN A 100 -1.517 -13.424 1.615 1.00 0.00 C ATOM 1506 C GLN A 100 -2.053 -13.317 0.192 1.00 0.00 C ATOM 1507 O GLN A 100 -1.464 -13.853 -0.747 1.00 0.00 O ATOM 1508 CB GLN A 100 -0.568 -14.620 1.739 1.00 0.00 C ATOM 1509 CG GLN A 100 -1.254 -15.971 1.604 1.00 0.00 C ATOM 1510 CD GLN A 100 -1.318 -16.731 2.915 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -1.366 -16.011 4.025 1.00 0.00 O flip ATOM 1512 NE2 GLN A 100 -1.321 -17.962 2.930 1.00 0.00 N flip ATOM 0 H GLN A 100 -3.264 -14.310 2.351 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.956 -12.520 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.205 -14.538 0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.066 -14.574 2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.265 -15.824 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.722 -16.572 0.867 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.283 -18.483 2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.361 -18.461 3.819 1.00 0.00 H new ATOM 1521 N THR A 101 -3.172 -12.611 0.054 1.00 0.00 N ATOM 1522 CA THR A 101 -3.822 -12.415 -1.238 1.00 0.00 C ATOM 1523 C THR A 101 -2.825 -11.970 -2.309 1.00 0.00 C ATOM 1524 O THR A 101 -1.947 -11.143 -2.049 1.00 0.00 O ATOM 1525 CB THR A 101 -4.956 -11.385 -1.123 1.00 0.00 C ATOM 1526 OG1 THR A 101 -4.557 -10.335 -0.237 1.00 0.00 O ATOM 1527 CG2 THR A 101 -6.233 -12.031 -0.608 1.00 0.00 C ATOM 0 H THR A 101 -3.652 -12.160 0.833 1.00 0.00 H new ATOM 0 HA THR A 101 -4.239 -13.376 -1.540 1.00 0.00 H new ATOM 0 HB THR A 101 -5.155 -10.979 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.613 -10.121 -0.388 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.018 -11.278 -0.537 1.00 0.00 H new ATOM 0 HG22 THR A 101 -6.545 -12.818 -1.295 1.00 0.00 H new ATOM 0 HG23 THR A 101 -6.052 -12.461 0.377 1.00 0.00 H new ATOM 1535 N PRO A 102 -2.962 -12.527 -3.522 1.00 0.00 N ATOM 1536 CA PRO A 102 -1.998 -12.353 -4.617 1.00 0.00 C ATOM 1537 C PRO A 102 -1.677 -10.894 -4.922 1.00 0.00 C ATOM 1538 O PRO A 102 -2.559 -10.030 -4.932 1.00 0.00 O ATOM 1539 CB PRO A 102 -2.683 -13.008 -5.824 1.00 0.00 C ATOM 1540 CG PRO A 102 -4.107 -13.192 -5.420 1.00 0.00 C ATOM 1541 CD PRO A 102 -4.086 -13.374 -3.932 1.00 0.00 C ATOM 0 HA PRO A 102 -1.037 -12.797 -4.357 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.604 -12.378 -6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.218 -13.963 -6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.708 -12.327 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.545 -14.059 -5.914 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.022 -13.057 -3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.931 -14.416 -3.653 1.00 0.00 H new ATOM 1549 N TYR A 103 -0.401 -10.637 -5.165 1.00 0.00 N ATOM 1550 CA TYR A 103 0.064 -9.311 -5.536 1.00 0.00 C ATOM 1551 C TYR A 103 -0.559 -8.891 -6.859 1.00 0.00 C ATOM 1552 O TYR A 103 -0.528 -9.645 -7.834 1.00 0.00 O ATOM 1553 CB TYR A 103 1.590 -9.299 -5.663 1.00 0.00 C ATOM 1554 CG TYR A 103 2.324 -9.762 -4.421 1.00 0.00 C ATOM 1555 CD1 TYR A 103 2.612 -11.107 -4.225 1.00 0.00 C ATOM 1556 CD2 TYR A 103 2.736 -8.854 -3.455 1.00 0.00 C ATOM 1557 CE1 TYR A 103 3.286 -11.536 -3.095 1.00 0.00 C ATOM 1558 CE2 TYR A 103 3.412 -9.275 -2.324 1.00 0.00 C ATOM 1559 CZ TYR A 103 3.685 -10.615 -2.150 1.00 0.00 C ATOM 1560 OH TYR A 103 4.354 -11.035 -1.024 1.00 0.00 O ATOM 0 H TYR A 103 0.338 -11.338 -5.111 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.234 -8.609 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.878 -9.936 -6.499 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.914 -8.287 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.305 -11.830 -4.967 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.526 -7.803 -3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.498 -12.586 -2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.725 -8.557 -1.580 1.00 0.00 H new ATOM 0 HH TYR A 103 4.564 -10.261 -0.461 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.136 -7.705 -6.893 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.737 -7.200 -8.113 1.00 0.00 C ATOM 1572 C HIS A 104 -0.771 -6.282 -8.838 1.00 0.00 C ATOM 1573 O HIS A 104 -0.018 -5.536 -8.206 1.00 0.00 O ATOM 1574 CB HIS A 104 -3.056 -6.485 -7.819 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.194 -7.425 -7.548 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -4.321 -8.149 -6.381 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -5.265 -7.757 -8.308 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.414 -8.887 -6.439 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -6.006 -8.668 -7.597 1.00 0.00 N ATOM 0 H HIS A 104 -1.201 -7.075 -6.093 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.957 -8.047 -8.762 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.922 -5.830 -6.958 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.313 -5.849 -8.666 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -3.671 -8.119 -5.595 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.494 -7.375 -9.292 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.764 -9.557 -5.668 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.814 -6.339 -10.162 1.00 0.00 N ATOM 1589 CA GLU A 105 0.155 -5.652 -11.008 1.00 0.00 C ATOM 1590 C GLU A 105 0.005 -4.136 -10.894 1.00 0.00 C ATOM 1591 O GLU A 105 0.993 -3.404 -10.813 1.00 0.00 O ATOM 1592 CB GLU A 105 -0.027 -6.093 -12.465 1.00 0.00 C ATOM 1593 CG GLU A 105 1.142 -5.740 -13.375 1.00 0.00 C ATOM 1594 CD GLU A 105 2.411 -6.484 -13.010 1.00 0.00 C ATOM 1595 OE1 GLU A 105 2.466 -7.714 -13.217 1.00 0.00 O ATOM 1596 OE2 GLU A 105 3.369 -5.841 -12.534 1.00 0.00 O ATOM 0 H GLU A 105 -1.520 -6.862 -10.680 1.00 0.00 H new ATOM 0 HA GLU A 105 1.157 -5.918 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -0.179 -7.172 -12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.933 -5.634 -12.861 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.876 -5.968 -14.407 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.327 -4.667 -13.323 1.00 0.00 H new ATOM 1603 N THR A 106 -1.233 -3.672 -10.890 1.00 0.00 N ATOM 1604 CA THR A 106 -1.511 -2.249 -10.788 1.00 0.00 C ATOM 1605 C THR A 106 -2.546 -1.984 -9.704 1.00 0.00 C ATOM 1606 O THR A 106 -3.268 -2.894 -9.284 1.00 0.00 O ATOM 1607 CB THR A 106 -2.035 -1.680 -12.123 1.00 0.00 C ATOM 1608 OG1 THR A 106 -3.205 -2.401 -12.535 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.971 -1.757 -13.210 1.00 0.00 C ATOM 0 H THR A 106 -2.063 -4.261 -10.956 1.00 0.00 H new ATOM 0 HA THR A 106 -0.573 -1.755 -10.535 1.00 0.00 H new ATOM 0 HB THR A 106 -2.288 -0.631 -11.969 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.534 -2.034 -13.382 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.370 -1.349 -14.139 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.097 -1.180 -12.906 1.00 0.00 H new ATOM 0 HG23 THR A 106 -0.683 -2.797 -13.365 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.621 -0.737 -9.259 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.632 -0.334 -8.294 1.00 0.00 C ATOM 1619 C VAL A 107 -5.009 -0.348 -8.954 1.00 0.00 C ATOM 1620 O VAL A 107 -6.033 -0.562 -8.301 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.335 1.068 -7.707 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -3.338 2.137 -8.791 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -4.331 1.412 -6.610 1.00 0.00 C ATOM 0 H VAL A 107 -1.993 0.012 -9.551 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.615 -1.046 -7.469 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.336 1.041 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.126 3.109 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.574 1.905 -9.533 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.316 2.164 -9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.105 2.401 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.341 1.409 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.262 0.674 -5.811 1.00 0.00 H new ATOM 1633 N TYR A 108 -5.013 -0.155 -10.266 1.00 0.00 N ATOM 1634 CA TYR A 108 -6.239 -0.171 -11.047 1.00 0.00 C ATOM 1635 C TYR A 108 -6.863 -1.559 -11.006 1.00 0.00 C ATOM 1636 O TYR A 108 -8.051 -1.714 -10.723 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.954 0.242 -12.496 1.00 0.00 C ATOM 1638 CG TYR A 108 -5.300 1.601 -12.617 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -6.069 2.757 -12.674 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.918 1.730 -12.660 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -5.480 4.002 -12.768 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -3.320 2.973 -12.749 1.00 0.00 C ATOM 1643 CZ TYR A 108 -4.106 4.104 -12.806 1.00 0.00 C ATOM 1644 OH TYR A 108 -3.517 5.343 -12.886 1.00 0.00 O ATOM 0 H TYR A 108 -4.171 0.016 -10.815 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.940 0.544 -10.616 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.310 -0.505 -12.959 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.890 0.246 -13.055 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -7.146 2.680 -12.644 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.300 0.845 -12.623 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.092 4.891 -12.812 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.244 3.058 -12.774 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.560 5.783 -12.011 1.00 0.00 H new ATOM 1654 N SER A 109 -6.038 -2.568 -11.259 1.00 0.00 N ATOM 1655 CA SER A 109 -6.489 -3.949 -11.236 1.00 0.00 C ATOM 1656 C SER A 109 -6.839 -4.378 -9.812 1.00 0.00 C ATOM 1657 O SER A 109 -7.697 -5.231 -9.605 1.00 0.00 O ATOM 1658 CB SER A 109 -5.404 -4.863 -11.813 1.00 0.00 C ATOM 1659 OG SER A 109 -5.855 -6.203 -11.923 1.00 0.00 O ATOM 0 H SER A 109 -5.050 -2.452 -11.483 1.00 0.00 H new ATOM 0 HA SER A 109 -7.386 -4.032 -11.849 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.104 -4.498 -12.795 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.520 -4.827 -11.176 1.00 0.00 H new ATOM 0 HG SER A 109 -5.140 -6.759 -12.296 1.00 0.00 H new ATOM 1665 N LEU A 110 -6.176 -3.777 -8.835 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.399 -4.115 -7.438 1.00 0.00 C ATOM 1667 C LEU A 110 -7.744 -3.592 -6.944 1.00 0.00 C ATOM 1668 O LEU A 110 -8.584 -4.361 -6.486 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.280 -3.545 -6.576 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.451 -3.778 -5.079 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.228 -5.240 -4.728 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.513 -2.885 -4.292 1.00 0.00 C ATOM 0 H LEU A 110 -5.477 -3.050 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.406 -5.202 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.335 -3.985 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.209 -2.473 -6.758 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.475 -3.522 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.356 -5.380 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.950 -5.857 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.218 -5.533 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.649 -3.065 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.482 -3.106 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.732 -1.841 -4.515 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.951 -2.284 -7.043 1.00 0.00 N ATOM 1685 CA LEU A 111 -9.193 -1.675 -6.568 1.00 0.00 C ATOM 1686 C LEU A 111 -10.387 -2.208 -7.349 1.00 0.00 C ATOM 1687 O LEU A 111 -11.510 -2.223 -6.850 1.00 0.00 O ATOM 1688 CB LEU A 111 -9.125 -0.146 -6.663 1.00 0.00 C ATOM 1689 CG LEU A 111 -8.615 0.570 -5.409 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -9.562 0.340 -4.244 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -7.213 0.112 -5.048 1.00 0.00 C ATOM 0 H LEU A 111 -7.282 -1.627 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.321 -1.944 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.480 0.120 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.121 0.231 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.576 1.638 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.185 0.856 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.549 0.727 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.633 -0.728 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.878 0.637 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.219 -0.961 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.535 0.331 -5.873 1.00 0.00 H new ATOM 1703 N ASP A 112 -10.127 -2.672 -8.561 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.162 -3.275 -9.391 1.00 0.00 C ATOM 1705 C ASP A 112 -11.672 -4.572 -8.764 1.00 0.00 C ATOM 1706 O ASP A 112 -12.852 -4.907 -8.869 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.620 -3.541 -10.799 1.00 0.00 C ATOM 1708 CG ASP A 112 -11.645 -4.180 -11.713 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -12.787 -3.683 -11.770 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -11.297 -5.167 -12.397 1.00 0.00 O ATOM 0 H ASP A 112 -9.204 -2.643 -8.995 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.998 -2.579 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.285 -2.601 -11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.747 -4.190 -10.730 1.00 0.00 H new ATOM 1715 N THR A 113 -10.782 -5.285 -8.086 1.00 0.00 N ATOM 1716 CA THR A 113 -11.135 -6.550 -7.455 1.00 0.00 C ATOM 1717 C THR A 113 -11.694 -6.334 -6.049 1.00 0.00 C ATOM 1718 O THR A 113 -12.228 -7.259 -5.438 1.00 0.00 O ATOM 1719 CB THR A 113 -9.909 -7.491 -7.365 1.00 0.00 C ATOM 1720 OG1 THR A 113 -8.887 -6.920 -6.539 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.333 -7.765 -8.741 1.00 0.00 C ATOM 0 H THR A 113 -9.809 -5.008 -7.959 1.00 0.00 H new ATOM 0 HA THR A 113 -11.901 -7.010 -8.079 1.00 0.00 H new ATOM 0 HB THR A 113 -10.251 -8.427 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.669 -6.021 -6.863 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.473 -8.428 -8.650 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.091 -8.238 -9.365 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.020 -6.826 -9.198 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.582 -5.109 -5.549 1.00 0.00 N ATOM 1730 CA LEU A 114 -11.911 -4.831 -4.157 1.00 0.00 C ATOM 1731 C LEU A 114 -13.133 -3.926 -4.018 1.00 0.00 C ATOM 1732 O LEU A 114 -13.850 -3.999 -3.019 1.00 0.00 O ATOM 1733 CB LEU A 114 -10.705 -4.197 -3.462 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.451 -5.068 -3.430 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.262 -4.271 -2.922 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -9.676 -6.298 -2.565 1.00 0.00 C ATOM 0 H LEU A 114 -11.268 -4.298 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.160 -5.779 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.466 -3.259 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.983 -3.948 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.236 -5.398 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.377 -4.908 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.085 -3.421 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.469 -3.912 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -8.771 -6.906 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -9.917 -5.988 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.501 -6.883 -2.971 1.00 0.00 H new ATOM 1748 N SER A 115 -13.373 -3.079 -5.005 1.00 0.00 N ATOM 1749 CA SER A 115 -14.487 -2.146 -4.944 1.00 0.00 C ATOM 1750 C SER A 115 -15.213 -2.072 -6.281 1.00 0.00 C ATOM 1751 O SER A 115 -14.593 -1.845 -7.317 1.00 0.00 O ATOM 1752 CB SER A 115 -13.988 -0.759 -4.533 1.00 0.00 C ATOM 1753 OG SER A 115 -12.881 -0.344 -5.322 1.00 0.00 O ATOM 0 H SER A 115 -12.814 -3.018 -5.856 1.00 0.00 H new ATOM 0 HA SER A 115 -15.194 -2.506 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.798 -0.036 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.701 -0.772 -3.482 1.00 0.00 H new ATOM 0 HG SER A 115 -12.579 -1.091 -5.880 1.00 0.00 H new ATOM 1759 N PRO A 116 -16.539 -2.275 -6.272 1.00 0.00 N ATOM 1760 CA PRO A 116 -17.360 -2.207 -7.484 1.00 0.00 C ATOM 1761 C PRO A 116 -17.560 -0.778 -7.989 1.00 0.00 C ATOM 1762 O PRO A 116 -17.808 -0.561 -9.175 1.00 0.00 O ATOM 1763 CB PRO A 116 -18.696 -2.805 -7.040 1.00 0.00 C ATOM 1764 CG PRO A 116 -18.757 -2.570 -5.570 1.00 0.00 C ATOM 1765 CD PRO A 116 -17.338 -2.614 -5.078 1.00 0.00 C ATOM 0 HA PRO A 116 -16.891 -2.733 -8.316 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -19.531 -2.326 -7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -18.748 -3.869 -7.272 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -19.216 -1.606 -5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -19.363 -3.332 -5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.173 -1.901 -4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -17.080 -3.600 -4.691 1.00 0.00 H new ATOM 1773 N ALA A 117 -17.436 0.200 -7.095 1.00 0.00 N ATOM 1774 CA ALA A 117 -17.660 1.592 -7.459 1.00 0.00 C ATOM 1775 C ALA A 117 -16.424 2.193 -8.117 1.00 0.00 C ATOM 1776 O ALA A 117 -16.462 3.318 -8.615 1.00 0.00 O ATOM 1777 CB ALA A 117 -18.056 2.397 -6.230 1.00 0.00 C ATOM 0 H ALA A 117 -17.183 0.053 -6.118 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.475 1.630 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -18.221 3.436 -6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.972 1.987 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -17.258 2.345 -5.489 1.00 0.00 H new ATOM 1783 N TYR A 118 -15.339 1.425 -8.135 1.00 0.00 N ATOM 1784 CA TYR A 118 -14.074 1.891 -8.684 1.00 0.00 C ATOM 1785 C TYR A 118 -14.203 2.210 -10.171 1.00 0.00 C ATOM 1786 O TYR A 118 -13.831 3.295 -10.616 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.979 0.845 -8.462 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.621 1.281 -8.952 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.936 2.304 -8.315 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.023 0.668 -10.044 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.691 2.706 -8.752 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -9.779 1.067 -10.487 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.119 2.085 -9.838 1.00 0.00 C ATOM 1794 OH TYR A 118 -7.879 2.480 -10.269 1.00 0.00 O ATOM 0 H TYR A 118 -15.313 0.472 -7.773 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.799 2.808 -8.162 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.916 0.617 -7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.261 -0.077 -8.970 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -11.384 2.794 -7.463 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.539 -0.132 -10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -9.168 3.503 -8.245 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.325 0.583 -11.339 1.00 0.00 H new ATOM 0 HH TYR A 118 -7.757 2.211 -11.203 1.00 0.00 H new ATOM 1804 N ARG A 119 -14.744 1.268 -10.935 1.00 0.00 N ATOM 1805 CA ARG A 119 -14.897 1.450 -12.375 1.00 0.00 C ATOM 1806 C ARG A 119 -15.927 2.533 -12.687 1.00 0.00 C ATOM 1807 O ARG A 119 -15.881 3.157 -13.747 1.00 0.00 O ATOM 1808 CB ARG A 119 -15.312 0.139 -13.056 1.00 0.00 C ATOM 1809 CG ARG A 119 -14.334 -1.007 -12.860 1.00 0.00 C ATOM 1810 CD ARG A 119 -12.912 -0.634 -13.257 1.00 0.00 C ATOM 1811 NE ARG A 119 -12.781 -0.340 -14.686 1.00 0.00 N ATOM 1812 CZ ARG A 119 -11.619 -0.356 -15.339 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -10.506 -0.689 -14.701 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -11.575 -0.046 -16.625 1.00 0.00 N ATOM 0 H ARG A 119 -15.083 0.373 -10.583 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.928 1.761 -12.765 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -16.287 -0.162 -12.673 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -15.431 0.320 -14.124 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -14.347 -1.317 -11.815 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -14.660 -1.864 -13.450 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -12.595 0.235 -12.681 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -12.240 -1.452 -12.996 1.00 0.00 H new ATOM 0 HE ARG A 119 -13.625 -0.110 -15.210 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.539 -0.933 -13.711 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -9.616 -0.702 -15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.431 0.206 -17.118 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.685 -0.059 -17.123 1.00 0.00 H new ATOM 1828 N GLU A 120 -16.848 2.762 -11.762 1.00 0.00 N ATOM 1829 CA GLU A 120 -17.916 3.730 -11.975 1.00 0.00 C ATOM 1830 C GLU A 120 -17.422 5.151 -11.714 1.00 0.00 C ATOM 1831 O GLU A 120 -17.782 6.086 -12.433 1.00 0.00 O ATOM 1832 CB GLU A 120 -19.115 3.398 -11.081 1.00 0.00 C ATOM 1833 CG GLU A 120 -20.307 4.319 -11.285 1.00 0.00 C ATOM 1834 CD GLU A 120 -21.552 3.822 -10.585 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -21.647 3.958 -9.349 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -22.444 3.285 -11.275 1.00 0.00 O ATOM 0 H GLU A 120 -16.878 2.292 -10.857 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.233 3.673 -13.016 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -19.425 2.371 -11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -18.803 3.448 -10.038 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -20.060 5.314 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -20.508 4.416 -12.352 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.576 5.302 -10.702 1.00 0.00 N ATOM 1844 CA ALA A 121 -16.026 6.608 -10.348 1.00 0.00 C ATOM 1845 C ALA A 121 -14.806 6.946 -11.203 1.00 0.00 C ATOM 1846 O ALA A 121 -14.212 8.014 -11.059 1.00 0.00 O ATOM 1847 CB ALA A 121 -15.666 6.645 -8.873 1.00 0.00 C ATOM 0 H ALA A 121 -16.255 4.536 -10.110 1.00 0.00 H new ATOM 0 HA ALA A 121 -16.790 7.360 -10.544 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -15.257 7.624 -8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -16.559 6.461 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.923 5.876 -8.660 1.00 0.00 H new ATOM 1853 N PHE A 122 -14.448 6.030 -12.096 1.00 0.00 N ATOM 1854 CA PHE A 122 -13.300 6.206 -12.980 1.00 0.00 C ATOM 1855 C PHE A 122 -13.441 7.481 -13.812 1.00 0.00 C ATOM 1856 O PHE A 122 -12.476 8.221 -13.998 1.00 0.00 O ATOM 1857 CB PHE A 122 -13.155 4.976 -13.887 1.00 0.00 C ATOM 1858 CG PHE A 122 -11.939 5.000 -14.770 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -10.681 4.767 -14.240 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -12.055 5.252 -16.128 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -9.560 4.785 -15.047 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -10.938 5.271 -16.941 1.00 0.00 C ATOM 1863 CZ PHE A 122 -9.689 5.038 -16.399 1.00 0.00 C ATOM 0 H PHE A 122 -14.943 5.148 -12.228 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.400 6.307 -12.373 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -13.120 4.082 -13.265 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -14.043 4.894 -14.513 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -10.575 4.569 -13.184 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -13.030 5.436 -16.556 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -8.584 4.602 -14.622 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -11.041 5.468 -17.998 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.814 5.054 -17.032 1.00 0.00 H new